* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    135    217     408
    1     0 S   NP   _N1_     1    29.33509    94.62525   -24.30530
    2     1 S   H    _HN1     2     1.02826    24.64971   177.62496
    3     1 S   H    _H1_     3     1.02786   111.21336   -95.53145
    4     1 S   H    _H2_     4     1.02952    83.16596    11.53744
    5     1 S   CT   _CA1     5     1.50123   126.65845   121.90683
    6     5 S   HC   _HA1     6     1.09572   105.20035    80.82644
    7     5 S   CO3  _C1_     7     1.53783   112.46587   -39.41935
    8     7 S   O2Z  _O11     8     1.26373   115.00754   -41.99803
    9     7 S   O2Z  _O12     9     1.26238   114.95117   137.11025
   10     5 S   CT   _CB1    10     1.53059   107.41168  -161.17106
   11    10 S   HC   HB11    11     1.09834   109.36875   -49.57868
   12    10 S   HC   HB12    12     1.09819   110.43684    67.01279
   13    10 S   CT   _CG1    13     1.53004   112.63978  -170.57248
   14    13 S   HC   HG11    14     1.09580   110.61170   -65.45830
   15    13 S   HC   HG12    15     1.09667   109.84368    53.82876
   16    13 S   C    _CD1    16     1.51781   112.15297   174.25393
   17    16 S   O    _OE1    17     1.22707   123.10986     5.96263
   18    16 S   N    _N2_    18     1.38619   111.64738  -174.31459
   19    18 S   H    _HN2    19     1.01575   118.99895     0.56441
   20    18 S   CT1  _CA2    20     1.46187   123.43114   177.85607
   21    20 S   HC   _HA2    21     1.09446   109.27066    -7.52702
   22    20 S   C    _C2_    22     1.53512   108.41648  -122.48670
   23    22 S   O    _O2_    23     1.23040   122.37309  -149.22252
   24    20 S   CT   _CB2    32     1.53364   111.70930   115.34655
   25    24 S   HC   HB21    33     1.09677   109.34432    61.14728
   26    24 S   HC   HB22    34     1.09488   111.11311   178.01180
   27    22 S   N    _N3_    24     1.38381   113.57099    37.84436
   28    27 S   H    _HN3    25     1.01617   119.36808    -1.88668
   29    24 S   S    _SG2    35     1.83161   114.56945   -57.95184
   30    27 S   CT   _CA3    26     1.45283   123.26985   177.39165
   31    30 S   HC   HA31    27     1.09539   107.27604   -72.66586
   32    30 S   HC   HA32    28     1.09559   108.31075    43.85282
   33    29 S   CT   _C10    36     1.84375   100.67825   -69.93469
   34    33 S   HC   _H3_    37     1.09190   106.20701    48.58461
   35    30 S   CO3  _C3_    29     1.52963   114.10969   166.18675
   36    35 S   O2Z  _O31    30     1.26367   116.11321     3.32443
   37    35 S   O2Z  _O32    31     1.26451   114.40115  -176.53694
   38    33 S   CA   _C9_    38     1.52214   110.11421   164.25481
   39    33 S   CM   _C11    50     1.51373   109.61003   -70.85760
   40    39 S   HC   _H11    51     1.09165   115.46398   -54.99950
   41    38 S   CA   _C4_    39     1.40597   119.36891  -108.40589
   42    41 S   HA   _H7_    40     1.08792   120.32912    -0.41637
   43    39 S   CMA  _C12    52     1.35611   127.10568   124.17134
   44    43 S   OM   _O33    53     1.26780   123.52004  -178.78147
   45    41 S   CA   _C5_    41     1.39565   120.89509   179.72446
   46    45 S   HA   _H8_    42     1.08608   119.83136   179.78602
   47    43 S   OS   _O34    54     1.41399   111.54728     0.29608
   48    45 S   CA   _C6_    43     1.39037   119.59387    -0.28046
   49    47 S   CT   _C13    55     1.43578   117.47203   154.34881
   50    49 S   HC   _H4_    56     1.09788   110.27860    48.22891
   51    48 S   CA   _C7_    44     1.39189   120.70574    -0.10653
   52    51 S   HA   _H9_    45     1.08596   121.00214  -179.76510
   53    48 S   OH   _O40    48     1.36622   118.22198  -179.98022
   54    53 S   HO   _H19    49     0.97232   108.49445   179.94766
   55    49 S   CT   _C14    57     1.54497   108.01309   163.58151
   56    55 S   HC   _H12    58     1.09724   108.15295  -167.36994
   57    55 S   HC   _H13    59     1.09811   108.35917   -51.32008
   58    38 S   CA   _C8_    46     1.40577   122.23071    70.65932
   59    58 S   HA   _H10    47     1.08724   120.55309     0.12667
   60    55 S   CT   _C15    60     1.53700   114.07644    69.99922
   61    60 S   CT   _C16    61     1.53397   111.67583    50.48758
   62    61 S   HC   _H14    62     1.09846   110.73035  -171.91182
   63    61 S   HC   _H15    63     1.09830   110.72197    71.39760
   64    60 S   CO3  _C19    72     1.55318   114.02644   171.41011
   65    64 S   O2Z  _O38    73     1.26743   114.61013   165.94623
   66    64 S   O2Z  _O37    74     1.26252   116.45496   -14.23640
   67    60 S   OH   _O39    75     1.43234   108.45863   -69.27586
   68    67 S   HO   _H18    76     0.97434   107.57198  -167.06103
   69    61 S   CT   _C17    64     1.53088   111.85694   -51.39236
   70    69 S   HC   _H5_    65     1.09502   109.71985   -65.87554
   71    49 S   CT   _C18    66     1.53817   111.25755   -74.92753
   72    71 S   HC   _H6_    67     1.09541   111.69264    55.78185
   73    69 S   OH   _O36    70     1.42701   109.58282   177.09000
   74    73 S   HO   _H17    71     0.97214   107.35713    57.79789
   75    71 S   OH   _O35    68     1.43113   109.10653   173.55649
   76    75 S   HO   _H16    69     0.97248   107.07717   -61.71292
  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   8   5   4   3
  13   6   2   1   1  12   7   3   8   4   6   2   7   3  10   6
  15   8   5   3   2   1  15   6   5   1   1  12  14   7   6   5
   2   1   2   1   7   5   5   3   2   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    41    58    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    58    59    39    40    43    44    47  
   38    41    58    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    52    58    59    39    40    43  
   40    43    44    47    49    41    58  
   43    44    47  
   42    45    46    48    51    58    59    53  
   45    46    48    58  
   44    47    49    50    55    71  
   47    49  
   46    48    51    52    58    53    54  
   48    51    53  
   49    50    55    56    57    60    69    71    72    75  
   51    52    58    59    53    54  
   50    55    56    57    60    61    69    70    71    72    75    76    73    64    67  
   55    56    57    60    69    71    72    75  
   52    58    59    53    54  
   58    59    53  
   54    58  
    0  
   56    57    60    61    62    63    69    71    72    75    64    65    66    67    68  
   57    60    61    71    64    67  
   60    61    71    64    67  
   59  
    0  
   61    62    63    69    70    71    73    64    65    66    67    68  
   62    63    69    70    71    72    75    73    74    64    65    66    67    68  
   63    69    70    71    73    64    67  
   69    70    71    73    64    67  
   65    66    67    68    69  
   66    67  
   67  
   68    69  
    0  
   70    71    72    75    76    73    74  
   71    72    75    73    74  
   72    75    76    73    74  
   75    76    73  
   74    75  
    0  
   76  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   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   317.000  1.510
   38    41   469.000  1.400
   38    58   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    53   450.000  1.364
   51    52   367.000  1.080
   51    58   469.000  1.400
   58    59   367.000  1.080
   53    54   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    71   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   268.000  1.529
   60    64   317.000  1.522
   60    67   320.000  1.410
   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   268.000  1.529
   69    73   320.000  1.410
   71    72   340.000  1.090
   71    75   320.000  1.410
   75    76   553.000  0.945
   73    74   553.000  0.945
   64    65   656.000  1.250
   64    66   656.000  1.250
   67    68   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  112.20000
   33    38    41    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    58    51    63.00000  120.00000
   38    58    59    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    53    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    58    63.00000  120.00000
   48    53    54    35.00000  113.00000
   51    58    59    35.00000  120.00000
   58    38    41    63.00000  120.00000
   58    51    52    35.00000  120.00000
   53    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    55    50.00000  109.50000
   47    49    71    50.00000  109.50000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    60    58.35000  112.70000
   49    71    69    58.35000  112.70000
   49    71    72    37.50000  110.70000
   49    71    75    50.00000  109.50000
   55    49    50    37.50000  110.70000
   55    60    61    58.35000  112.70000
   55    60    64    70.00000  109.69300
   55    60    67    50.00000  109.50000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    61    62    37.50000  110.70000
   60    61    63    37.50000  110.70000
   60    61    69    58.35000  112.70000
   60    64    65    70.00000  117.00000
   60    64    66    70.00000  117.00000
   60    67    68    55.00000  108.50000
   61    69    70    37.50000  110.70000
   61    69    71    58.35000  112.70000
   61    69    73    50.00000  109.50000
   63    61    62    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    71    72    37.50000  110.70000
   69    71    75    50.00000  109.50000
   69    73    74    55.00000  108.50000
   71    49    50    37.50000  110.70000
   71    49    55    58.35000  112.70000
   71    69    70    37.50000  110.70000
   71    75    76    55.00000  108.50000
   75    71    72    35.00000  109.50000
   73    69    70    35.00000  109.50000
   73    69    71    50.00000  109.50000
   64    60    61    70.00000  109.69300
   66    64    65    80.00000  126.00000
   67    60    61    50.00000  109.50000
   67    60    64    95.00000  109.52300
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    58    51   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    58    51   3.62500 -1.0 2.0
   41    38    58    59   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    53   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    52   3.62500 -1.0 2.0
   45    48    51    58   3.62500 -1.0 2.0
   45    48    53    54   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    53   3.62500 -1.0 2.0
   48    51   -58    38   3.62500 -1.0 2.0
   48    51    58    59   3.62500 -1.0 2.0
   51    48    53    54   0.84100 -1.0 2.0
   52    51    58    38   3.62500 -1.0 2.0
   52    51    58    59   3.62500 -1.0 2.0
   58    38    41    42   3.62500 -1.0 2.0
   58    38   -41    45   3.62500 -1.0 2.0
   53    48    51    52   3.62500 -1.0 2.0
   53    48    51    58   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    58   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    55  -0.46850  1.0 1.0
   43    47    49    55   0.09300 -1.0 2.0
   43    47    49    55  -0.12850  1.0 3.0
   43    47    49    71  -0.46850  1.0 1.0
   43    47    49    71   0.09300 -1.0 2.0
   43    47    49    71  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    55    56   0.23400  1.0 3.0
   47    49    55    57   0.23400  1.0 3.0
   47    49    55    60   0.62750  1.0 1.0
   47    49    55    60  -0.30950 -1.0 2.0
   47    49    55    60   0.27300  1.0 3.0
   47    49    71    69   0.62750  1.0 1.0
   47    49    71    69  -0.30950 -1.0 2.0
   47    49    71    69   0.27300  1.0 3.0
   47    49    71    72   0.23400  1.0 3.0
   47    49    71    75   3.69350  1.0 1.0
   47    49    71    75  -1.82950 -1.0 2.0
   49    55    60    61   0.56750  1.0 1.0
   49    55    60    61  -0.07550 -1.0 2.0
   49    55    60    61   0.20000  1.0 3.0
   49    55    60    64  -1.63150  1.0 1.0
   49    55    60    64  -0.43550 -1.0 2.0
   49    55    60    64   0.24500  1.0 3.0
   49    55    60    67   0.86500  1.0 1.0
   49    55    60    67  -0.17500 -1.0 2.0
   49    55    60    67   0.20800  1.0 3.0
   49    71    75    76  -0.11600  1.0 1.0
   49    71    75    76  -0.09450 -1.0 2.0
   49    71    75    76   0.21250  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    60   0.15000  1.0 3.0
   50    49    71    69   0.15000  1.0 3.0
   50    49    71    72   0.15000  1.0 3.0
   50    49    71    75   0.23400  1.0 3.0
   55    49    71    69   0.56750  1.0 1.0
   55    49    71    69  -0.07550 -1.0 2.0
   55    49    71    69   0.20000  1.0 3.0
   55    49    71    72   0.15000  1.0 3.0
   55    49    71    75   0.86500  1.0 1.0
   55    49    71    75  -0.17500 -1.0 2.0
   55    49    71    75   0.20800  1.0 3.0
   55    60    61    62   0.15000  1.0 3.0
   55    60    61    63   0.15000  1.0 3.0
   55    60   -61    69   0.56750  1.0 1.0
   55    60   -61    69  -0.07550 -1.0 2.0
   55    60   -61    69   0.20000  1.0 3.0
   55    60    64    65   0.41150 -1.0 2.0
   55    60    64    66   0.41150 -1.0 2.0
   55    60    67    68  -0.11600  1.0 1.0
   55    60    67    68  -0.09450 -1.0 2.0
   55    60    67    68   0.21250  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    64  -0.11250  1.0 3.0
   56    55    60    67   0.23400  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    64  -0.11250  1.0 3.0
   57    55    60    67   0.23400  1.0 3.0
   60    61    69    70   0.15000  1.0 3.0
   60    61    69    71   0.56750  1.0 1.0
   60    61    69    71  -0.07550 -1.0 2.0
   60    61    69    71   0.20000  1.0 3.0
   60    61    69    73   0.86500  1.0 1.0
   60    61    69    73  -0.17500 -1.0 2.0
   60    61    69    73   0.20800  1.0 3.0
   61    60    64    65   0.41150 -1.0 2.0
   61    60    64    66   0.41150 -1.0 2.0
   61    60    67    68  -0.11600  1.0 1.0
   61    60    67    68  -0.09450 -1.0 2.0
   61    60    67    68   0.21250  1.0 3.0
   61    69   -71    49   0.56750  1.0 1.0
   61    69   -71    49  -0.07550 -1.0 2.0
   61    69   -71    49   0.20000  1.0 3.0
   61    69    71    72   0.15000  1.0 3.0
   61    69    71    75   0.86500  1.0 1.0
   61    69    71    75  -0.17500 -1.0 2.0
   61    69    71    75   0.20800  1.0 3.0
   61    69    73    74  -0.11600  1.0 1.0
   61    69    73    74  -0.09450 -1.0 2.0
   61    69    73    74   0.21250  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    73   0.23400  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    73   0.23400  1.0 3.0
   69    71    75    76  -0.11600  1.0 1.0
   69    71    75    76  -0.09450 -1.0 2.0
   69    71    75    76   0.21250  1.0 3.0
   70    69    71    49   0.15000  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    75   0.23400  1.0 3.0
   70    69    73    74   0.19450  1.0 3.0
   71    49    55    56   0.15000  1.0 3.0
   71    49    55    57   0.15000  1.0 3.0
   71    49   -55    60   0.56750  1.0 1.0
   71    49   -55    60  -0.07550 -1.0 2.0
   71    49   -55    60   0.20000  1.0 3.0
   71    69    73    74  -0.11600  1.0 1.0
   71    69    73    74  -0.09450 -1.0 2.0
   71    69    73    74   0.21250  1.0 3.0
   72    71    75    76   0.19450  1.0 3.0
   73    69    71    49   0.86500  1.0 1.0
   73    69    71    49  -0.17500 -1.0 2.0
   73    69    71    49   0.20800  1.0 3.0
   73    69    71    72   0.23400  1.0 3.0
   73    69    71    75   3.75450  1.0 1.0
   64    60    61    62  -0.11250  1.0 3.0
   64    60    61    63  -0.11250  1.0 3.0
   64    60    61    69  -1.63150  1.0 1.0
   64    60    61    69  -0.43550 -1.0 2.0
   64    60    61    69   0.24500  1.0 3.0
   64    60    67    68   0.91850  1.0 1.0
   64    60    67    68   0.57950  1.0 3.0
   67    60    61    62   0.23400  1.0 3.0
   67    60    61    63   0.23400  1.0 3.0
   67    60    61    69   0.86500  1.0 1.0
   67    60    61    69  -0.17500 -1.0 2.0
   67    60    61    69   0.20800  1.0 3.0
   67    60    64    65   0.30150 -1.0 2.0
   67    60    64    66   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    58    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    53    48    45   4.00000 -1.0 2.0
   58    52    51    48   1.10000 -1.0 2.0
   51    59    58    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   65    60    64    66  10.50000 -1.0 2.0
END
