* LIGAND DATABASE FILE (OPLS2005)
*
001     117   122    236    385     711
    1     0 S   NP   _N1_     1    30.27849    99.13700   -14.86807
    2     1 S   H    _HN1     2     1.02960    86.40881    31.09361
    3     1 S   H    _H1_     3     1.02834    76.54582   139.51038
    4     1 S   H    _H2_     4     1.02773    46.29701   -88.69142
    5     1 S   CT   _CA1     5     1.50159   157.58297  -108.54190
    6     5 S   HC   _HA1     6     1.09564   105.21789   -46.12576
    7     5 S   CO3  _C1_     7     1.53823   112.40173  -166.35482
    8     7 S   O2Z  _O11     8     1.26372   114.96428   -39.55999
    9     7 S   O2Z  _O12     9     1.26224   114.97674   139.58881
   10     5 S   CT   _CB1    10     1.53094   107.40968    71.95412
   11    10 S   HC   HB11    11     1.09820   109.43403   -48.31156
   12    10 S   HC   HB12    12     1.09827   110.34168    68.27092
   13    10 S   CT   _CG1    13     1.53023   112.74800  -169.37506
   14    13 S   HC   HG11    14     1.09535   110.48285   -61.34878
   15    13 S   HC   HG12    15     1.09640   110.06547    57.74194
   16    13 S   C    _CD1    16     1.51865   112.16979   177.77437
   17    16 S   O    _OE1    17     1.22727   123.18160   -10.12665
   18    16 S   N    _N2_    18     1.38587   111.73892   170.69013
   19    18 S   H    _HN2    19     1.01589   118.98993     0.45456
   20    18 S   CT1  _CA2    20     1.46275   123.45599   179.67314
   21    20 S   HC   _HA2    21     1.09735   109.47024   -11.48449
   22    20 S   C    _C2_    22     1.53480   108.05307  -127.04559
   23    22 S   O    _O2_    23     1.23012   122.29495  -144.74512
   24    20 S   CT   _CB2    32     1.53639   111.46574   110.85985
   25    24 S   HC   HB21    33     1.08916   108.86996    55.09766
   26    24 S   HC   HB22    34     1.09283   109.65198   172.80353
   27    22 S   N    _N3_    24     1.38520   113.34228    42.51266
   28    27 S   H    _HN3    25     1.01524   118.91822    -0.54176
   29    24 S   S    _SG2    35     1.82915   111.15293   -67.75715
   30    27 S   CT   _CA3    26     1.45450   123.46475   175.20400
   31    30 S   HC   HA31    27     1.09522   109.26561    23.85997
   32    30 S   HC   HA32    28     1.09496   107.11366   140.86649
   33    29 S   CT   _C29    36     1.93341   104.07431   154.80535
   34    30 S   CO3  _C3_    29     1.52923   113.09735   -99.63868
   35    34 S   O2Z  _O31    30     1.26404   115.39844   -44.60800
   36    34 S   O2Z  _O32    31     1.26354   114.98803   136.32757
   37    33 S   CT   _C18    37     1.57150   102.34612  -175.84800
   38    37 S   HC   _H61    38     1.09101   110.45886  -176.13740
   39    33 S   CT   _C20    60     1.59760   105.28767   -61.78308
   40    39 S   HC   _H63    61     1.10004   106.55175    -1.35826
   41    37 S   CO4  _C7_    39     1.52034   114.37072    65.98081
   42    41 S   O    _O34    40     1.23404   120.93016  -131.47024
   43    39 S   CT   _C11    62     1.54461   117.00936   110.47629
   44    43 S   HC   _H48    63     1.09772   108.53195   -95.16354
   45    43 S   HC   _H49    64     1.09393   111.95436   150.39490
   46    37 S   OH   _O37   116     1.42337   112.35114   -58.68212
   47    46 S   HO   _H81   117     0.97297   107.67386   179.57113
   48    41 S   CT   _C26    41     1.53186   117.79423    52.75096
   49    43 S   CT   _C10    65     1.50684   116.49117    26.34163
   50    49 S   HC   _H46    66     1.09390   109.12690    72.75248
   51    49 S   HC   _H47    67     1.09786   108.01184  -172.76798
   52    48 S   CT   _C17    42     1.56242   108.36605   107.07484
   53    52 S   HC   _H60    43     1.09885   110.57976    32.01483
   54    49 S   CT   _C19    68     1.52924   111.75257   -52.11469
   55    54 S   HC   _H62    69     1.09607   107.97440   -53.28827
   56    48 S   CT   _C31   112     1.54040   105.43861  -130.28089
   57    56 S   HC   _H72   113     1.09400   112.98457   179.37006
   58    56 S   HC   _H73   114     1.09421   110.96558    58.89614
   59    56 S   HC   _H74   115     1.09600   111.31988   -59.63557
   60    52 S   CM   _C5_    44     1.51092   116.85074   153.67818
   61    52 S   CT   _C9_    53     1.54099   102.71766   -81.71096
   62    61 S   HC   _H44    54     1.09537   113.78614  -155.42450
   63    61 S   HC   _H45    55     1.09736   109.22638    86.60870
   64    54 S   CT   _C15    70     1.54342   108.96774  -168.20709
   65    64 S   HC   _H56    71     1.09699   109.26252    55.41223
   66    64 S   HC   _H57    72     1.09688   110.52548   169.48045
   67    60 S   CM   _C4_    45     1.33304   129.23756    93.69294
   68    67 S   HC   _H41    46     1.07577   128.84659    -2.33028
   69    61 S   CT   _C14    56     1.53145   107.13082   -31.39402
   70    69 S   HC   _H54    57     1.09076   109.34498   135.70498
   71    69 S   HC   _H55    58     1.09600   109.50181  -108.03726
   72    64 S   CT   _C21    73     1.52979   113.05350   -67.07624
   73    72 S   HC   _H64    74     1.09630   110.57666    66.78999
   74    67 S   CO4  _C6_    47     1.46251   107.31267   177.39120
   75    74 S   O    _O33    48     1.21865   124.99734   179.40620
   76    48 S   CT   _C28    59     1.55598   111.75202    -6.55086
   77    72 S   CT   _C12    75     1.52499   110.72354   -53.44275
   78    77 S   HC   _H50    76     1.09672   110.05242   -74.33923
   79    77 S   HC   _H51    77     1.09806   108.93474   171.96750
   80    72 S   OS   _O40    86     1.43156   110.43709  -171.85821
   81    74 S   OS   _O35    49     1.36148   109.04940    -1.15471
   82    77 S   CT   _C13    78     1.53262   113.53291    50.14389
   83    82 S   HC   _H52    79     1.09288   107.48194    72.42956
   84    82 S   HC   _H53    80     1.09587   106.24242  -173.99861
   85    80 S   CO   _C25    87     1.43035   114.07148   -83.60729
   86    85 S   HC   _H68    88     1.09482   109.33354    51.28004
   87    76 S   OH   _O39   110     1.44467   106.25703  -159.32540
   88    87 S   HO   _H83   111     0.97044   109.78815  -156.93049
   89    60 S   CT   _C8_    50     1.48476   120.65906   -90.40316
   90    89 S   HC   _H42    51     1.09417   112.01623   -59.83217
   91    89 S   HC   _H43    52     1.09160   113.16771    64.70130
   92    33 S   CT   _C27    81     1.64550   111.77351    66.61288
   93    85 S   CT   _C16    89     1.52697   108.72626   168.82916
   94    93 S   HC   _H58    90     1.09556   109.87223   -53.48879
   95    93 S   HC   _H59    91     1.09761   109.71045  -170.77033
   96    92 S   CT   _C32    82     1.56328   111.93605    27.54256
   97    96 S   HC   _H75    83     1.09179   112.38238   -70.74091
   98    96 S   HC   _H76    84     1.09305   112.96212   170.88027
   99    96 S   HC   _H77    85     1.09303   112.10236    51.64428
  100    93 S   CT   _C22    92     1.53139   111.54625    68.70262
  101   100 S   HC   _H65    93     1.09801   110.86963   -68.70081
  102   100 S   CT   _C23    94     1.53587   109.64471    51.88115
  103   102 S   HC   _H66    95     1.09724   108.90209    70.80085
  104   100 S   OS   _O41   105     1.43355   110.66258   170.39344
  105   102 S   CT   _C24    96     1.53310   111.15511   -50.72554
  106   105 S   HC   _H67    97     1.09757   110.28452   -66.85555
  107   102 S   OH   _O38   103     1.42765   109.67502  -172.52958
  108   107 S   HO   _H82   104     0.97235   108.01691    58.81028
  109   104 S   CT   _C33   106     1.42093   113.56784    77.52050
  110   109 S   HC   _H78   107     1.09350   108.12815   175.64837
  111   109 S   HC   _H79   108     1.09414   110.70455    57.03592
  112   109 S   HC   _H80   109     1.09294   111.04673   -65.83073
  113    85 S   OS   _O36    98     1.43025   113.39964   -68.40632
  114   105 S   CT   _C30    99     1.52569   111.58515   174.04556
  115   114 S   HC   _H69   100     1.09562   110.92007   -60.71472
  116   114 S   HC   _H70   101     1.09560   110.26477  -178.58238
  117   114 S   HC   _H71   102     1.09397   111.70732    60.77965
  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  13   5   4   3
  28   2   1   1  16   7  23   9  16   5  13   6   5   3   1  18
  12   5   4  21   9  16   7   8   3   2   1  13   9   5   4  12
   6   5   7   4   5   3   2  13   6   5   2   3   9   6   5   9
   3   7   3   2  12   6   1   1   2   1   1   4  11   6   5   3
   2   1   1  14   6  12   7   6   8   6   3   1   3   2   1   1
   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    92    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    76    39    40    43    54    82    92    96    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    48    69    76    39    40    43    44    45    49    54    55    64    77    82    83    84    92    96    97    98    99    87    46    47  
   35    36  
   36  
    0  
   38    41    42    48    52    76    39    40    43    54    82    92    96    56    46    47  
   41    42    48    39    92    46    47  
   40    43    44    45    49    50    51    54    82    92    96    87    88    56    46    41    48    52    61    69    70    71    76  
   43    44    45    49    92    87    48    69    76  
   42    48    52    53    60    61    69    76    92    87    56    57    58    59    46    47  
   48    52    76    56    46  
   44    45    49    50    51    54    55    64    92    87    48    69    76  
   45    49    50    51    54    76  
   49    50    51    54    76  
   47    48    92  
    0  
   52    53    60    67    89    61    62    63    69    70    71    76    87    88    56    57    58    59  
   50    51    54    55    64    65    66    72    82    92    96    76  
   51    54    55    64    92  
   54    55    64    92  
   53    60    67    68    74    81    89    90    91    61    62    63    69    70    71    76    87    56    57    58    59  
   60    67    89    61    62    63    69    76    56  
   55    64    65    66    72    73    77    82    83    84    92    96    97    98    99    80  
   64    65    66    72    82    92    96  
   57    58    59    60    61    69    76    87  
   58    59    76  
   59    76  
   76  
   67    68    74    75    81    89    90    91    61    62    63    69    76  
   62    63    69    70    71    76    87    67    89  
   63    69    70    71    76  
   69    70    71    76  
   65    66    72    73    77    78    79    82    92    96    80    85  
   66    72    73    77    92    80  
   72    73    77    92    80  
   68    74    75    81    89    90    91  
   74    75    81    89  
   70    71    76    87    88  
   71    76    87  
   76    87  
   73    77    78    79    82    83    84    92    80    85    86    93   113  
   77    78    79    82    80    85  
   75    81    89    90    91  
   81    89  
   92    87    88  
   78    79    82    83    84    92    96    80    85  
   79    82    83    84    92    80  
   82    83    84    92    80  
   85    86    93    94    95   100   105   113    82  
   89    90    91  
   83    84    92    96    97    98    99  
   84    92    96  
   92    96  
   86    93    94    95   100   101   102   105   106   113   114   104  
   93    94    95   100   105   113  
   88  
    0  
   90    91  
   91  
    0  
   96    97    98    99  
   94    95   100   101   102   103   105   113   107   104   109  
   95   100   101   102   113   104  
  100   101   102   113   104  
   97    98    99  
   98    99  
   99  
    0  
  101   102   103   105   106   113   114   107   108   104   109   110   111   112  
  102   103   105   107   104   109  
  103   105   106   113   114   115   116   117   107   108   104   109  
  105   106   113   114   107   108   104  
  109   110   111   112   105   107  
  106   113   114   115   116   117   107   108  
  113   114   115   116   117   107  
  108   113   114  
    0  
  110   111   112  
  111   112  
  112  
    0  
  114   115   116   117  
  115   116   117  
  116   117  
  117  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   82   3.5000   0.0660  -0.120000   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   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
  105   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  107   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  108   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  109   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  113   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  114   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    39   268.000  1.529
   33    92   268.000  1.529
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    46   320.000  1.410
   41    42   570.000  1.229
   41    48   317.000  1.522
   48    52   268.000  1.529
   48    76   268.000  1.529
   48    56   268.000  1.529
   52    53   340.000  1.090
   52    60   317.000  1.510
   52    61   268.000  1.529
   60    67   549.000  1.340
   60    89   317.000  1.510
   67    68   340.000  1.080
   67    74   320.000  1.462
   74    75   570.000  1.229
   74    81   214.000  1.327
   81    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    76   268.000  1.529
   76    39   268.000  1.529
   76    87   320.000  1.410
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    64   268.000  1.529
   54    92   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    77   268.000  1.529
   72    80   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    92   268.000  1.529
   92    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   80    85   320.000  1.380
   85    86   340.000  1.090
   85    93   250.000  1.527
   85   113   320.000  1.380
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   100   268.000  1.529
  100   101   340.000  1.090
  100   102   268.000  1.529
  100   104   320.000  1.410
  102   103   340.000  1.090
  102   105   268.000  1.529
  102   107   320.000  1.410
  105   106   340.000  1.090
  105   113   320.000  1.410
  105   114   268.000  1.529
  114   115   340.000  1.090
  114   116   340.000  1.090
  114   117   340.000  1.090
  107   108   553.000  0.945
  104   109   320.000  1.410
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   87    88   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   46    47   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    92    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    46    50.00000  109.50000
   33    39    76    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    92    54    58.35000  112.70000
   33    92    82    58.35000  112.70000
   33    92    96    58.35000  112.70000
   37    41    42    80.00000  120.40000
   37    41    48    70.00000  116.00000
   37    46    47    55.00000  108.50000
   41    37    38    35.00000  109.50000
   41    48    52    63.00000  111.10000
   41    48    76    63.00000  111.10000
   41    48    56    63.00000  111.10000
   48    41    42    80.00000  120.40000
   48    52    53    37.50000  110.70000
   48    52    60    70.00000  112.02700
   48    52    61    58.35000  112.70000
   48    76    69    58.35000  112.70000
   48    76    39    58.35000  112.70000
   48    76    87    50.00000  109.50000
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    59    37.50000  110.70000
   52    60    67    70.00000  124.00000
   52    60    89    65.00000  117.92700
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    69    58.35000  112.70000
   60    52    53    35.00000  109.50000
   60    67    68    35.00000  120.00000
   60    67    74    65.00000  118.96000
   60    89    81    85.00000  110.90400
   60    89    90    35.00000  109.50000
   60    89    91    35.00000  109.50000
   67    74    75    80.00000  123.72100
   67    74    81    90.00000  111.29400
   74    67    68    40.00000  117.72500
   74    81    89    83.00000  116.90000
   81    74    75    83.00000  123.40000
   81    89    90    35.00000  109.50000
   81    89    91    35.00000  109.50000
   89    60    67    70.00000  124.00000
   91    89    90    33.00000  107.80000
   61    52    53    37.50000  110.70000
   61    52    60    70.00000  112.02700
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    76    58.35000  112.70000
   63    61    62    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    76    39    58.35000  112.70000
   69    76    87    50.00000  109.50000
   71    69    70    33.00000  107.80000
   76    48    52    58.35000  112.70000
   76    69    70    37.50000  110.70000
   76    69    71    37.50000  110.70000
   76    39    40    37.50000  110.70000
   76    39    43    58.35000  112.70000
   76    87    88    55.00000  108.50000
   39    33    37    58.35000  112.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   49    43    44    37.50000  110.70000
   49    43    45    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    64    58.35000  112.70000
   49    54    92    58.35000  112.70000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    64    65    37.50000  110.70000
   54    64    66    37.50000  110.70000
   54    64    72    58.35000  112.70000
   54    92    82    58.35000  112.70000
   54    92    96    58.35000  112.70000
   64    54    55    37.50000  110.70000
   64    72    73    37.50000  110.70000
   64    72    77    58.35000  112.70000
   64    72    80    50.00000  109.50000
   66    64    65    33.00000  107.80000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    82    58.35000  112.70000
   72    80    85    60.00000  109.50000
   77    72    73    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    92    58.35000  112.70000
   79    77    78    33.00000  107.80000
   82    77    78    37.50000  110.70000
   82    77    79    37.50000  110.70000
   82    92    96    58.35000  112.70000
   84    82    83    33.00000  107.80000
   92    33    37    58.35000  112.70000
   92    33    39    58.35000  112.70000
   92    54    55    37.50000  110.70000
   92    54    64    58.35000  112.70000
   92    82    83    37.50000  110.70000
   92    82    84    37.50000  110.70000
   92    96    97    37.50000  110.70000
   92    96    98    37.50000  110.70000
   92    96    99    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   80    72    73    35.00000  109.50000
   80    72    77    50.00000  109.50000
   80    85    86    35.00000  109.50000
   80    85    93    90.00000  108.56700
   80    85   113    92.60000  111.55000
   85    93    94    45.00000  108.72000
   85    93    95    45.00000  108.72000
   85    93   100    75.00000  109.43000
   85   113   105    60.00000  109.50000
   93    85    86    45.00000  112.01100
   93   100   101    37.50000  110.70000
   93   100   102    58.35000  112.70000
   93   100   104    50.00000  109.50000
   95    93    94    33.00000  107.80000
  100    93    94    37.50000  110.70000
  100    93    95    37.50000  110.70000
  100   102   103    37.50000  110.70000
  100   102   105    58.35000  112.70000
  100   102   107    50.00000  109.50000
  100   104   109    60.00000  109.50000
  102   100   101    37.50000  110.70000
  102   105   106    37.50000  110.70000
  102   105   113    50.00000  109.50000
  102   105   114    58.35000  112.70000
  102   107   108    55.00000  108.50000
  105   102   103    37.50000  110.70000
  105   114   115    37.50000  110.70000
  105   114   116    37.50000  110.70000
  105   114   117    37.50000  110.70000
  113    85    86    35.00000  109.50000
  113    85    93    90.00000  108.56700
  113   105   106    35.00000  109.50000
  114   105   106    37.50000  110.70000
  114   105   113    50.00000  109.50000
  116   114   115    33.00000  107.80000
  117   114   115    33.00000  107.80000
  117   114   116    33.00000  107.80000
  107   102   103    35.00000  109.50000
  107   102   105    50.00000  109.50000
  104   100   101    35.00000  109.50000
  104   100   102    50.00000  109.50000
  104   109   110    35.00000  109.50000
  104   109   111    35.00000  109.50000
  104   109   112    35.00000  109.50000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   87    76    39    50.00000  109.50000
   56    48    52    58.35000  112.70000
   56    48    76    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   46    37    38    35.00000  109.50000
   46    37    41    90.00000  109.61100
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
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    92   0.01700  1.0 1.0
   24    29    33    92  -0.23550 -1.0 2.0
   24    29    33    92   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    39    76   0.44750  1.0 1.0
   29    33    39    76  -0.17800 -1.0 2.0
   29    33    39    76   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    92    54   0.44750  1.0 1.0
   29    33    92    54  -0.17800 -1.0 2.0
   29    33    92    54   0.20200  1.0 3.0
   29    33    92    82   0.44750  1.0 1.0
   29    33    92    82  -0.17800 -1.0 2.0
   29    33    92    82   0.20200  1.0 3.0
   29    33    92    96   0.44750  1.0 1.0
   29    33    92    96  -0.17800 -1.0 2.0
   29    33    92    96   0.20200  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    48   0.60050  1.0 1.0
   33    37    41    48   0.05600 -1.0 2.0
   33    37    41    48   0.26150  1.0 3.0
   33    37    46    47  -0.11600  1.0 1.0
   33    37    46    47  -0.09450 -1.0 2.0
   33    37    46    47   0.21250  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    49   0.56750  1.0 1.0
   33    39    43    49  -0.07550 -1.0 2.0
   33    39    43    49   0.20000  1.0 3.0
   33    92    96    97   0.15000  1.0 3.0
   33    92    96    98   0.15000  1.0 3.0
   33    92    96    99   0.15000  1.0 3.0
   37    33    39    76   0.56750  1.0 1.0
   37    33    39    76  -0.07550 -1.0 2.0
   37    33    39    76   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.56750  1.0 1.0
   37    33    39    43  -0.07550 -1.0 2.0
   37    33    39    43   0.20000  1.0 3.0
   37    33    92    54   0.56750  1.0 1.0
   37    33    92    54  -0.07550 -1.0 2.0
   37    33    92    54   0.20000  1.0 3.0
   37    33    92    82   0.56750  1.0 1.0
   37    33    92    82  -0.07550 -1.0 2.0
   37    33    92    82   0.20000  1.0 3.0
   37    33    92    96   0.56750  1.0 1.0
   37    33    92    96  -0.07550 -1.0 2.0
   37    33    92    96   0.20000  1.0 3.0
   37    41    48    52   0.60050  1.0 1.0
   37    41    48    52   0.05600 -1.0 2.0
   37    41    48    52   0.26150  1.0 3.0
   37    41   -48    76   0.60050  1.0 1.0
   37    41   -48    76   0.05600 -1.0 2.0
   37    41   -48    76   0.26150  1.0 3.0
   37    41    48    56   0.60050  1.0 1.0
   37    41    48    56   0.05600 -1.0 2.0
   37    41    48    56   0.26150  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    48   0.00000  1.0 1.0
   38    37    46    47   0.19450  1.0 3.0
   41    37    46    47   0.91850  1.0 1.0
   41    37    46    47   0.57950  1.0 3.0
   41    48    52    53  -0.11250  1.0 3.0
   41    48    52    60  -0.98800  1.0 1.0
   41    48    52    60   0.48800 -1.0 2.0
   41    48    52    60   0.76800  1.0 3.0
   41    48    52    61  -0.95700  1.0 1.0
   41    48    52    61  -0.18200 -1.0 2.0
   41    48    52    61   0.29450  1.0 3.0
   41    48    76    69  -0.95700  1.0 1.0
   41    48    76    69  -0.18200 -1.0 2.0
   41    48    76    69   0.29450  1.0 3.0
   41    48    76    39  -0.95700  1.0 1.0
   41    48    76    39  -0.18200 -1.0 2.0
   41    48    76    39   0.29450  1.0 3.0
   41    48    76    87  -0.09450  1.0 1.0
   41    48    76    87  -1.12950 -1.0 2.0
   41    48    76    87   0.54000  1.0 3.0
   41    48    56    57  -0.11250  1.0 3.0
   41    48    56    58  -0.11250  1.0 3.0
   41    48    56    59  -0.11250  1.0 3.0
   42    41    48    52   0.30150 -1.0 2.0
   42    41    48    76   0.30150 -1.0 2.0
   42    41    48    56   0.30150 -1.0 2.0
   48    52    60    67   0.09850  1.0 1.0
   48    52    60    67   0.15250 -1.0 2.0
   48    52    60    67  -0.50650  1.0 3.0
   48    52    60    89   0.46850  1.0 1.0
   48    52    60    89   0.08550 -1.0 2.0
   48    52    60    89   0.09800  1.0 3.0
   48    52    61    62   0.15000  1.0 3.0
   48    52    61    63   0.15000  1.0 3.0
   48    52   -61    69   0.56750  1.0 1.0
   48    52   -61    69  -0.07550 -1.0 2.0
   48    52   -61    69   0.20000  1.0 3.0
   48    76   -39    33   0.56750  1.0 1.0
   48    76   -39    33  -0.07550 -1.0 2.0
   48    76   -39    33   0.20000  1.0 3.0
   48    76    39    40   0.15000  1.0 3.0
   48    76    39    43   0.56750  1.0 1.0
   48    76    39    43  -0.07550 -1.0 2.0
   48    76    39    43   0.20000  1.0 3.0
   48    76    87    88  -0.11600  1.0 1.0
   48    76    87    88  -0.09450 -1.0 2.0
   48    76    87    88   0.21250  1.0 3.0
   52    48   -76    69   0.56750  1.0 1.0
   52    48   -76    69  -0.07550 -1.0 2.0
   52    48   -76    69   0.20000  1.0 3.0
   52    48    76    39   0.56750  1.0 1.0
   52    48    76    39  -0.07550 -1.0 2.0
   52    48    76    39   0.20000  1.0 3.0
   52    48    76    87   0.86500  1.0 1.0
   52    48    76    87  -0.17500 -1.0 2.0
   52    48    76    87   0.20800  1.0 3.0
   52    48    56    57   0.15000  1.0 3.0
   52    48    56    58   0.15000  1.0 3.0
   52    48    56    59   0.15000  1.0 3.0
   52    60    67    68   7.00000 -1.0 2.0
   52    60    67    74   7.00000 -1.0 2.0
   52    60    89    81   0.09700  1.0 1.0
   52    60    89    81   0.15600 -1.0 2.0
   52    60    89    81  -0.50800  1.0 3.0
   52    60    89    90   0.34800  1.0 3.0
   52    60    89    91   0.34800  1.0 3.0
   52    61    69    70   0.15000  1.0 3.0
   52    61    69    71   0.15000  1.0 3.0
   52    61   -69    76   0.56750  1.0 1.0
   52    61   -69    76  -0.07550 -1.0 2.0
   52    61   -69    76   0.20000  1.0 3.0
   53    52    60    67   0.00000  1.0 1.0
   53    52    60    89   0.34800  1.0 3.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    63   0.15000  1.0 3.0
   53    52    61    69   0.15000  1.0 3.0
   60    52    61    62   0.15000  1.0 3.0
   60    52    61    63   0.15000  1.0 3.0
   60    52    61    69   0.34400  1.0 1.0
   60    52    61    69   0.09450 -1.0 2.0
   60    52    61    69   0.11100  1.0 3.0
   60    67    74    75   1.00000 -1.0 2.0
   60    67   -74    81  -0.56150  1.0 1.0
   60    67   -74    81   2.19150 -1.0 2.0
   67    60   -89    81   0.39000  1.0 1.0
   67    60   -89    81  -0.05800 -1.0 2.0
   67    60   -89    81  -0.55150  1.0 3.0
   67    60    89    90   0.00000  1.0 1.0
   67    60    89    91   0.00000  1.0 1.0
   67    74   -81    89   2.00000 -1.0 2.0
   68    67    74    75   0.00000  1.0 1.0
   68    67    74    81   1.63100 -1.0 2.0
   74    81   -89    60  -0.82050  1.0 1.0
   74    81   -89    60   0.00600 -1.0 2.0
   74    81   -89    60   0.04400  1.0 3.0
   74    81    89    90   0.08050  1.0 3.0
   74    81    89    91   0.08050  1.0 3.0
   75    74    81    89   3.00000 -1.0 2.0
   89    60    67    68   7.00000 -1.0 2.0
   89    60   -67    74   7.00000 -1.0 2.0
   61    52    60    67   0.09850  1.0 1.0
   61    52    60    67   0.15250 -1.0 2.0
   61    52    60    67  -0.50650  1.0 3.0
   61    52    60    89   0.46850  1.0 1.0
   61    52    60    89   0.08550 -1.0 2.0
   61    52    60    89   0.09800  1.0 3.0
   61    69   -76    48   0.56750  1.0 1.0
   61    69   -76    48  -0.07550 -1.0 2.0
   61    69   -76    48   0.20000  1.0 3.0
   61    69    76    39   0.56750  1.0 1.0
   61    69    76    39  -0.07550 -1.0 2.0
   61    69    76    39   0.20000  1.0 3.0
   61    69    76    87   0.86500  1.0 1.0
   61    69    76    87  -0.17500 -1.0 2.0
   61    69    76    87   0.20800  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    76   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    71   0.15000  1.0 3.0
   63    61    69    76   0.15000  1.0 3.0
   69    76    39    33   0.56750  1.0 1.0
   69    76    39    33  -0.07550 -1.0 2.0
   69    76    39    33   0.20000  1.0 3.0
   69    76    39    40   0.15000  1.0 3.0
   69    76    39    43   0.56750  1.0 1.0
   69    76    39    43  -0.07550 -1.0 2.0
   69    76    39    43   0.20000  1.0 3.0
   69    76    87    88  -0.11600  1.0 1.0
   69    76    87    88  -0.09450 -1.0 2.0
   69    76    87    88   0.21250  1.0 3.0
   70    69    76    48   0.15000  1.0 3.0
   70    69    76    39   0.15000  1.0 3.0
   70    69    76    87   0.23400  1.0 3.0
   71    69    76    48   0.15000  1.0 3.0
   71    69    76    39   0.15000  1.0 3.0
   71    69    76    87   0.23400  1.0 3.0
   76    48    52    53   0.15000  1.0 3.0
   76    48    52    60   0.34400  1.0 1.0
   76    48    52    60   0.09450 -1.0 2.0
   76    48    52    60   0.11100  1.0 3.0
   76    48   -52    61   0.56750  1.0 1.0
   76    48   -52    61  -0.07550 -1.0 2.0
   76    48   -52    61   0.20000  1.0 3.0
   76    48    56    57   0.15000  1.0 3.0
   76    48    56    58   0.15000  1.0 3.0
   76    48    56    59   0.15000  1.0 3.0
   76    39    43    44   0.15000  1.0 3.0
   76    39    43    45   0.15000  1.0 3.0
   76    39    43    49   0.56750  1.0 1.0
   76    39    43    49  -0.07550 -1.0 2.0
   76    39    43    49   0.20000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33   -37    41  -0.95700  1.0 1.0
   39    33   -37    41  -0.18200 -1.0 2.0
   39    33   -37    41   0.29450  1.0 3.0
   39    33    37    46   0.86500  1.0 1.0
   39    33    37    46  -0.17500 -1.0 2.0
   39    33    37    46   0.20800  1.0 3.0
   39    33    92    54   0.56750  1.0 1.0
   39    33    92    54  -0.07550 -1.0 2.0
   39    33    92    54   0.20000  1.0 3.0
   39    33    92    82   0.56750  1.0 1.0
   39    33    92    82  -0.07550 -1.0 2.0
   39    33    92    82   0.20000  1.0 3.0
   39    33    92    96   0.56750  1.0 1.0
   39    33    92    96  -0.07550 -1.0 2.0
   39    33    92    96   0.20000  1.0 3.0
   39    76    87    88  -0.11600  1.0 1.0
   39    76    87    88  -0.09450 -1.0 2.0
   39    76    87    88   0.21250  1.0 3.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    51   0.15000  1.0 3.0
   39    43   -49    54   0.56750  1.0 1.0
   39    43   -49    54  -0.07550 -1.0 2.0
   39    43   -49    54   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   43    49    54    55   0.15000  1.0 3.0
   43    49    54    64   0.56750  1.0 1.0
   43    49    54    64  -0.07550 -1.0 2.0
   43    49    54    64   0.20000  1.0 3.0
   43    49    54    92   0.56750  1.0 1.0
   43    49    54    92  -0.07550 -1.0 2.0
   43    49    54    92   0.20000  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    54   0.15000  1.0 3.0
   45    43    49    50   0.15000  1.0 3.0
   45    43    49    51   0.15000  1.0 3.0
   45    43    49    54   0.15000  1.0 3.0
   49    54    64    65   0.15000  1.0 3.0
   49    54    64    66   0.15000  1.0 3.0
   49    54    64    72   0.56750  1.0 1.0
   49    54    64    72  -0.07550 -1.0 2.0
   49    54    64    72   0.20000  1.0 3.0
   49    54   -92    33   0.56750  1.0 1.0
   49    54   -92    33  -0.07550 -1.0 2.0
   49    54   -92    33   0.20000  1.0 3.0
   49    54    92    82   0.56750  1.0 1.0
   49    54    92    82  -0.07550 -1.0 2.0
   49    54    92    82   0.20000  1.0 3.0
   49    54    92    96   0.56750  1.0 1.0
   49    54    92    96  -0.07550 -1.0 2.0
   49    54    92    96   0.20000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    64   0.15000  1.0 3.0
   50    49    54    92   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    64   0.15000  1.0 3.0
   51    49    54    92   0.15000  1.0 3.0
   54    64    72    73   0.15000  1.0 3.0
   54    64    72    77   0.56750  1.0 1.0
   54    64    72    77  -0.07550 -1.0 2.0
   54    64    72    77   0.20000  1.0 3.0
   54    64    72    80   0.62750  1.0 1.0
   54    64    72    80  -0.30950 -1.0 2.0
   54    64    72    80   0.27300  1.0 3.0
   54    92    96    97   0.15000  1.0 3.0
   54    92    96    98   0.15000  1.0 3.0
   54    92    96    99   0.15000  1.0 3.0
   55    54    64    65   0.15000  1.0 3.0
   55    54    64    66   0.15000  1.0 3.0
   55    54    64    72   0.15000  1.0 3.0
   55    54    92    33   0.15000  1.0 3.0
   55    54    92    82   0.15000  1.0 3.0
   55    54    92    96   0.15000  1.0 3.0
   64    54    92    33   0.56750  1.0 1.0
   64    54    92    33  -0.07550 -1.0 2.0
   64    54    92    33   0.20000  1.0 3.0
   64    54    92    82   0.56750  1.0 1.0
   64    54    92    82  -0.07550 -1.0 2.0
   64    54    92    82   0.20000  1.0 3.0
   64    54    92    96   0.56750  1.0 1.0
   64    54    92    96  -0.07550 -1.0 2.0
   64    54    92    96   0.20000  1.0 3.0
   64    72    77    78   0.15000  1.0 3.0
   64    72    77    79   0.15000  1.0 3.0
   64    72   -77    82   0.56750  1.0 1.0
   64    72   -77    82  -0.07550 -1.0 2.0
   64    72   -77    82   0.20000  1.0 3.0
   64    72    80    85   0.06250  1.0 1.0
   64    72    80    85  -0.01100 -1.0 2.0
   64    72    80    85   0.28050  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    77   0.15000  1.0 3.0
   65    64    72    80   0.23400  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    77   0.15000  1.0 3.0
   66    64    72    80   0.23400  1.0 3.0
   72    77    82    83   0.15000  1.0 3.0
   72    77    82    84   0.15000  1.0 3.0
   72    77    82    92   0.56750  1.0 1.0
   72    77    82    92  -0.07550 -1.0 2.0
   72    77    82    92   0.20000  1.0 3.0
   72    80    85    86   0.37050  1.0 3.0
   72    80    85    93   0.06250  1.0 1.0
   72    80    85    93  -0.01100 -1.0 2.0
   72    80    85    93   0.28050  1.0 3.0
   72    80    85   113  -0.53350  1.0 1.0
   72    80    85   113  -0.78350 -1.0 2.0
   72    80    85   113   0.33750  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    82   0.15000  1.0 3.0
   73    72    80    85   0.37050  1.0 3.0
   77    72    80    85   0.06250  1.0 1.0
   77    72    80    85  -0.01100 -1.0 2.0
   77    72    80    85   0.28050  1.0 3.0
   77    82    92    33   0.56750  1.0 1.0
   77    82    92    33  -0.07550 -1.0 2.0
   77    82    92    33   0.20000  1.0 3.0
   77    82   -92    54   0.56750  1.0 1.0
   77    82   -92    54  -0.07550 -1.0 2.0
   77    82   -92    54   0.20000  1.0 3.0
   77    82    92    96   0.56750  1.0 1.0
   77    82    92    96  -0.07550 -1.0 2.0
   77    82    92    96   0.20000  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    92   0.15000  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    92   0.15000  1.0 3.0
   82    92    96    97   0.15000  1.0 3.0
   82    92    96    98   0.15000  1.0 3.0
   82    92    96    99   0.15000  1.0 3.0
   83    82    92    33   0.15000  1.0 3.0
   83    82    92    54   0.15000  1.0 3.0
   83    82    92    96   0.15000  1.0 3.0
   84    82    92    33   0.15000  1.0 3.0
   84    82    92    54   0.15000  1.0 3.0
   84    82    92    96   0.15000  1.0 3.0
   92    33    37    38   0.15000  1.0 3.0
   92    33    37    41  -0.95700  1.0 1.0
   92    33    37    41  -0.18200 -1.0 2.0
   92    33    37    41   0.29450  1.0 3.0
   92    33    37    46   0.86500  1.0 1.0
   92    33    37    46  -0.17500 -1.0 2.0
   92    33    37    46   0.20800  1.0 3.0
   92    33    39    76   0.56750  1.0 1.0
   92    33    39    76  -0.07550 -1.0 2.0
   92    33    39    76   0.20000  1.0 3.0
   92    33    39    40   0.15000  1.0 3.0
   92    33   -39    43   0.56750  1.0 1.0
   92    33   -39    43  -0.07550 -1.0 2.0
   92    33   -39    43   0.20000  1.0 3.0
   92    54    64    65   0.15000  1.0 3.0
   92    54    64    66   0.15000  1.0 3.0
   92    54   -64    72   0.56750  1.0 1.0
   92    54   -64    72  -0.07550 -1.0 2.0
   92    54   -64    72   0.20000  1.0 3.0
   80    72    77    78   0.23400  1.0 3.0
   80    72    77    79   0.23400  1.0 3.0
   80    72    77    82   0.62750  1.0 1.0
   80    72    77    82  -0.30950 -1.0 2.0
   80    72    77    82   0.27300  1.0 3.0
   80    85    93    94   0.23400  1.0 3.0
   80    85    93    95   0.23400  1.0 3.0
   80    85    93   100   0.62750  1.0 1.0
   80    85    93   100  -0.30950 -1.0 2.0
   80    85    93   100   0.27300  1.0 3.0
   80    85   113   105  -0.81800  1.0 1.0
   85    93   100   101   0.15000  1.0 3.0
   85    93   100   102   3.97050  1.0 1.0
   85    93   100   104   0.62750  1.0 1.0
   85    93   100   104  -0.30950 -1.0 2.0
   85    93   100   104   0.27300  1.0 3.0
   86    85    93    94   0.15000  1.0 3.0
   86    85    93    95   0.15000  1.0 3.0
   86    85    93   100   0.15000  1.0 3.0
   86    85   113   105   0.37050  1.0 3.0
   93    85   113   105   0.06250  1.0 1.0
   93    85   113   105  -0.01100 -1.0 2.0
   93    85   113   105   0.28050  1.0 3.0
   93   100   102   103   0.15000  1.0 3.0
   93   100  -102   105   0.56750  1.0 1.0
   93   100  -102   105  -0.07550 -1.0 2.0
   93   100  -102   105   0.20000  1.0 3.0
   93   100   102   107   0.86500  1.0 1.0
   93   100   102   107  -0.17500 -1.0 2.0
   93   100   102   107   0.20800  1.0 3.0
   93   100   104   109   0.06250  1.0 1.0
   93   100   104   109  -0.01100 -1.0 2.0
   93   100   104   109   0.28050  1.0 3.0
   94    93   100   101   0.15000  1.0 3.0
   94    93   100   102   0.15000  1.0 3.0
   94    93   100   104   0.23400  1.0 3.0
   95    93   100   101   0.15000  1.0 3.0
   95    93   100   102   0.15000  1.0 3.0
   95    93   100   104   0.23400  1.0 3.0
  100   102   105   106   0.15000  1.0 3.0
  100   102   105   113   0.62750  1.0 1.0
  100   102   105   113  -0.30950 -1.0 2.0
  100   102   105   113   0.27300  1.0 3.0
  100   102   105   114   0.56750  1.0 1.0
  100   102   105   114  -0.07550 -1.0 2.0
  100   102   105   114   0.20000  1.0 3.0
  100   102   107   108  -0.11600  1.0 1.0
  100   102   107   108  -0.09450 -1.0 2.0
  100   102   107   108   0.21250  1.0 3.0
  100   104   109   110   0.37050  1.0 3.0
  100   104   109   111   0.37050  1.0 3.0
  100   104   109   112   0.37050  1.0 3.0
  101   100   102   103   0.15000  1.0 3.0
  101   100   102   105   0.15000  1.0 3.0
  101   100   102   107   0.23400  1.0 3.0
  101   100   104   109   0.37050  1.0 3.0
  102   100   104   109   0.06250  1.0 1.0
  102   100   104   109  -0.01100 -1.0 2.0
  102   100   104   109   0.28050  1.0 3.0
  102   105  -113    85   0.06250  1.0 1.0
  102   105  -113    85  -0.01100 -1.0 2.0
  102   105  -113    85   0.28050  1.0 3.0
  102   105   114   115   0.15000  1.0 3.0
  102   105   114   116   0.15000  1.0 3.0
  102   105   114   117   0.15000  1.0 3.0
  103   102   105   106   0.15000  1.0 3.0
  103   102   105   113   0.23400  1.0 3.0
  103   102   105   114   0.15000  1.0 3.0
  103   102   107   108   0.19450  1.0 3.0
  105   102   107   108  -0.11600  1.0 1.0
  105   102   107   108  -0.09450 -1.0 2.0
  105   102   107   108   0.21250  1.0 3.0
  106   105   113    85   0.37050  1.0 3.0
  106   105   114   115   0.15000  1.0 3.0
  106   105   114   116   0.15000  1.0 3.0
  106   105   114   117   0.15000  1.0 3.0
  113    85    93    94   0.23400  1.0 3.0
  113    85    93    95   0.23400  1.0 3.0
  113    85   -93   100   0.62750  1.0 1.0
  113    85   -93   100  -0.30950 -1.0 2.0
  113    85   -93   100   0.27300  1.0 3.0
  113   105   114   115   0.23400  1.0 3.0
  113   105   114   116   0.23400  1.0 3.0
  113   105   114   117   0.23400  1.0 3.0
  114   105   113    85   0.06250  1.0 1.0
  114   105   113    85  -0.01100 -1.0 2.0
  114   105   113    85   0.28050  1.0 3.0
  107   102   105   106   0.23400  1.0 3.0
  107   102   105   113   3.69350  1.0 1.0
  107   102   105   113  -1.82950 -1.0 2.0
  107   102   105   114   0.86500  1.0 1.0
  107   102   105   114  -0.17500 -1.0 2.0
  107   102   105   114   0.20800  1.0 3.0
  104   100   102   103   0.23400  1.0 3.0
  104   100   102   105   0.62750  1.0 1.0
  104   100   102   105  -0.30950 -1.0 2.0
  104   100   102   105   0.27300  1.0 3.0
  104   100   102   107   3.69350  1.0 1.0
  104   100   102   107  -1.82950 -1.0 2.0
   87    76    39    33   0.86500  1.0 1.0
   87    76    39    33  -0.17500 -1.0 2.0
   87    76    39    33   0.20800  1.0 3.0
   87    76    39    40   0.23400  1.0 3.0
   87    76    39    43   0.86500  1.0 1.0
   87    76    39    43  -0.17500 -1.0 2.0
   87    76    39    43   0.20800  1.0 3.0
   56    48    52    53   0.15000  1.0 3.0
   56    48    52    60   0.34400  1.0 1.0
   56    48    52    60   0.09450 -1.0 2.0
   56    48    52    60   0.11100  1.0 3.0
   56    48    52    61   0.56750  1.0 1.0
   56    48    52    61  -0.07550 -1.0 2.0
   56    48    52    61   0.20000  1.0 3.0
   56    48    76    69   0.56750  1.0 1.0
   56    48    76    69  -0.07550 -1.0 2.0
   56    48    76    69   0.20000  1.0 3.0
   56    48    76    39   0.56750  1.0 1.0
   56    48    76    39  -0.07550 -1.0 2.0
   56    48    76    39   0.20000  1.0 3.0
   56    48    76    87   0.86500  1.0 1.0
   56    48    76    87  -0.17500 -1.0 2.0
   56    48    76    87   0.20800  1.0 3.0
   46    37    41    42   0.30150 -1.0 2.0
   46    37    41    48   0.55300  1.0 1.0
   46    37    41    48   1.25850 -1.0 2.0
   46    37    41    48  -0.23600  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    48    41    42  10.50000 -1.0 2.0
   52    89    60    67   1.10000 -1.0 2.0
   74    68    67    60   1.10000 -1.0 2.0
   67    81    74    75  10.50000 -1.0 2.0
END
