* LIGAND DATABASE FILE (OPLS2005)
*
001      76    80    141    239     421
    1     0 S   NP   _N1_     1    28.28037    97.35526   -20.52200
    2     1 S   H    _HN1     2     1.02966    41.38022   112.45843
    3     1 S   H    _H1_     3     1.02782    99.81446  -141.65441
    4     1 S   H    _H2_     4     1.02852    71.74295   -35.50580
    5     1 S   CT   _CA1     5     1.50625   143.98870    65.76324
    6     5 S   HC   _HA1     6     1.09678   104.53861    94.62513
    7     5 S   CO3  _C1_     7     1.54441   110.73709   -21.01828
    8     7 S   O2Z  _O11     8     1.25978   116.79128  -122.08605
    9     7 S   O2Z  _O12     9     1.26628   113.68088    56.73226
   10     5 S   CT   _CB1    10     1.53123   106.88671  -149.30531
   11    10 S   HC   HB11    11     1.09843   109.95718   -40.81199
   12    10 S   HC   HB12    12     1.09772   110.16786    75.81255
   13    10 S   CT   _CG1    13     1.53033   112.50919  -161.34928
   14    13 S   HC   HG11    14     1.09492   110.92570   -59.40901
   15    13 S   HC   HG12    15     1.09644   109.70696    59.75189
   16    13 S   C    _CD1    16     1.51858   112.17638  -179.97202
   17    16 S   O    _OE1    17     1.22762   123.30273     3.19243
   18    16 S   N    _N2_    18     1.38501   111.77414  -177.19816
   19    18 S   H    _HN2    19     1.01488   119.08176     4.77479
   20    18 S   CT1  _CA2    20     1.45911   122.96639  -178.92699
   21    20 S   HC   _HA2    21     1.09725   108.65858    26.16783
   22    20 S   C    _C2_    22     1.52840   107.13140   -91.19903
   23    22 S   O    _O2_    23     1.22997   122.98858   -27.63995
   24    20 S   CT   _CB2    32     1.53291   112.34402   148.95034
   25    24 S   HC   HB21    33     1.09559   109.98347    60.79891
   26    24 S   HC   HB22    34     1.09475   110.22524   179.57664
   27    22 S   N    _N3_    24     1.38480   112.62016   155.15829
   28    27 S   H    _HN3    25     1.01665   120.36138    -2.10059
   29    24 S   S    _SG2    35     1.82333   110.91381   -59.73092
   30    27 S   CT   _CA3    26     1.45349   122.40863   178.59250
   31    30 S   HC   HA31    27     1.09571   107.69977   -57.57774
   32    30 S   HC   HA32    28     1.09565   107.69323    58.71770
   33    29 S   CT   _C23    36     1.87188    99.66152   171.56083
   34    33 S   HC   _H3_    37     1.09307   108.36681   -36.74811
   35    30 S   CO3  _C3_    29     1.52873   114.40718  -179.49255
   36    35 S   O2Z  _O31    30     1.26319   116.09570    -2.20602
   37    35 S   O2Z  _O32    31     1.26447   114.39265   177.81824
   38    33 S   CA   _C21    38     1.55217   111.19617  -152.28411
   39    33 S   CT   _C24    70     1.57488   110.05658    76.81674
   40    39 S   OM   _O23    71     1.32978   112.39689    51.29221
   41    39 S   HC   _H39    72     1.10175   105.75840   -77.92130
   42    38 S   CA   _C19    39     1.46353   122.45703    44.23143
   43    42 S   CA   _C15    40     1.41664   115.19034  -156.37088
   44    43 S   CA   _C9_    41     1.39160   120.92704   167.90560
   45    44 S   HA   _H32    42     1.08910   120.80718  -176.85888
   46    43 S   CA   _C12    61     1.39735   121.73251   -12.17557
   47    46 S   HA   _H35    62     1.08862   120.88941  -177.78530
   48    44 S   CA   _C11    43     1.38873   121.19929     2.53628
   49    48 S   HA   _H34    44     1.08644   116.26820  -178.61266
   50    46 S   CA   _C13    63     1.38356   120.81932    -0.46182
   51    50 S   HA   _H36    64     1.08748   119.23049  -175.73984
   52    48 S   CA   _C17    45     1.40203   121.89001     5.74648
   53    38 S   CA   _C20    65     1.41938   117.52998  -131.57967
   54    52 S   CA   _C16    46     1.44704   121.56907   174.69999
   55    42 S   CA   _C18    60     1.46939   129.09368    23.52529
   56    53 S   CT   _C22    66     1.51521   123.38047   -17.53307
   57    56 S   HC   _H37    67     1.09703   109.38247   121.30991
   58    54 S   CA   _C7_    47     1.42050   124.86843     6.87720
   59    58 S   HA   _H30    48     1.08688   121.16498     1.50662
   60    56 S   CT   _C25    68     1.53435   113.44753    -2.27873
   61    60 S   HC   _H40    69     1.09853   109.36708   -77.34878
   62    56 S   OH   _O24    75     1.43452   109.59811  -122.67325
   63    62 S   HO   _H41    76     0.97245   107.76427    47.19397
   64    58 S   CA   _C5_    49     1.39851   122.51669  -179.51503
   65    64 S   HA   _H28    50     1.08648   119.84243  -179.52770
   66    60 S   OH   _O25    73     1.43194   109.89478   167.24247
   67    66 S   HO   _H42    74     0.97417   105.97273   -77.60989
   68    64 S   CA   _C4_    51     1.38485   119.99155    -0.05935
   69    68 S   HA   _H27    52     1.08556   120.32955  -179.86583
   70    68 S   CA   _C6_    53     1.38992   119.34088     0.15451
   71    70 S   HA   _H29    54     1.08848   118.50749   179.74744
   72    54 S   CA   _C14    55     1.41262   119.19774  -172.63529
   73    72 S   CA   _C8_    56     1.38727   119.26026     0.69577
   74    73 S   HA   _H31    57     1.08842   120.92662   177.07417
   75    73 S   CA   _C10    58     1.39458   120.65561    -2.80965
   76    75 S   HA   _H33    59     1.08295   115.30409   176.08463
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  17  11   5   4  15  12   9   4   7   3   7
   3   6   2  10   8  12   6   7   5   8   4   5   3   2   1   6
   3   1   1   5   3   5   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    53    60    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    55    50    53    56    60    61    39    40    41    66  
   38    42    53    60    39    40    41  
   36    37  
   37  
    0  
   42    43    44    52    75    55    46    50    51    53    56    57    60    39    40    41    62  
   40    41    66    67    62    42    53    56    57    60    61  
   41    66    56    60    61  
   66    56    60    61  
   43    44    45    48    52    54    73    75    76    55    46    47    50    53    56  
   44    45    48    49    52    75    55    46    47    50    51    53  
   45    48    49    52    54    55    46    47    50  
   48    49    52    46  
   47    50    51    53    56    48    55  
   50    51    53  
   49    52    54    58    72    75    55  
   52    54    55  
   51    53    56    57    60    62  
   53    56  
   54    58    59    64    70    72    73    75    76    55  
   56    57    60    61    66    62    63    55  
   58    59    64    65    68    70    71    72    73    74    75    55  
   58    72    73    74    75    76  
   57    60    61    66    67    62    63  
   60    61    66    62    63  
   59    64    65    68    69    70    72    73  
   64    65    68    72  
   61    66    67    62    63  
   66    67    62  
   63    66  
    0  
   65    68    69    70    71    72  
   68    69    70  
   67  
    0  
   69    70    71    72    73  
   70    71    72  
   71    72    73    74    75  
   72    73  
   73    74    75    76  
   74    75    76  
   75    76  
   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    53   469.000  1.400
   42    43   469.000  1.400
   42    55   469.000  1.400
   43    44   469.000  1.400
   43    46   469.000  1.400
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    54   469.000  1.400
   52    55   469.000  1.400
   54    58   469.000  1.400
   54    72   469.000  1.400
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    55   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    56   317.000  1.510
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    62   320.000  1.410
   60    61   340.000  1.090
   60    39   268.000  1.529
   60    66   320.000  1.410
   39    40   570.000  1.307
   39    41   340.000  1.090
   66    67   553.000  0.945
   62    63   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    53    70.00000  120.00000
   33    39    60    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    63.00000  120.00000
   38    42    55    63.00000  120.00000
   38    53    50    63.00000  120.00000
   38    53    56    70.00000  120.00000
   42    43    44    63.00000  120.00000
   42    43    46    63.00000  120.00000
   42    55    52    63.00000  120.00000
   42    55    75    63.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    48    63.00000  120.00000
   43    46    47    35.00000  120.00000
   43    46    50    63.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    52    54    63.00000  120.00000
   48    52    55    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    54    58    63.00000  120.00000
   52    54    72    63.00000  120.00000
   52    55    75    63.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    64    63.00000  120.00000
   54    72    70    63.00000  120.00000
   54    72    73    63.00000  120.00000
   58    64    65    35.00000  120.00000
   58    64    68    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    68    69    35.00000  120.00000
   64    68    70    63.00000  120.00000
   68    64    65    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    63.00000  120.00000
   72    54    58    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    75    63.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    55    63.00000  120.00000
   75    73    74    35.00000  120.00000
   55    42    43    63.00000  120.00000
   55    52    54    63.00000  120.00000
   55    75    76    35.00000  120.00000
   46    43    44    63.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    53    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    53    56    70.00000  120.00000
   53    38    42    63.00000  120.00000
   53    50    51    35.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    60    70.00000  112.17500
   53    56    62    90.00000  112.51600
   56    60    61    37.50000  110.70000
   56    60    39    58.35000  112.70000
   56    60    66    50.00000  109.50000
   56    62    63    55.00000  108.50000
   60    56    57    37.50000  110.70000
   60    39    40    50.00000  109.50000
   60    39    41    37.50000  110.70000
   60    66    67    55.00000  108.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    60    61    37.50000  110.70000
   41    39    40    45.00000  125.66300
   66    60    61    35.00000  109.50000
   66    60    39    50.00000  109.50000
   62    56    57    35.00000  109.50000
   62    56    60    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    53  -0.16000  1.0 1.0
   29    33    38    53  -0.03200 -1.0 2.0
   29    33    38    53   0.04500  1.0 3.0
   29    33    39    60   0.44750  1.0 1.0
   29    33    39    60  -0.17800 -1.0 2.0
   29    33    39    60   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    55   3.62500 -1.0 2.0
   33    38    53    50   3.62500 -1.0 2.0
   33    38    53    56   3.62500 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    53   0.00000  1.0 1.0
   34    33    39    60   0.15000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    60  -0.03700  1.0 1.0
   38    33    39    60   0.37200 -1.0 2.0
   38    33    39    60  -0.47300  1.0 3.0
   38    33    39    40  -0.64350  1.0 1.0
   38    33    39    40  -0.04200 -1.0 2.0
   38    33    39    40   0.19800  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    42    43    44   3.62500 -1.0 2.0
   38    42    43    46   3.62500 -1.0 2.0
   38    42    55    52   3.62500 -1.0 2.0
   38    42    55    75   3.62500 -1.0 2.0
   38    53    56    57   0.00000  1.0 1.0
   38    53   -56    60   0.04150 -1.0 2.0
   38    53    56    62   0.14300 -1.0 2.0
   38    53    56    62   0.00300  1.0 3.0
   42    38    53    50   3.62500 -1.0 2.0
   42    38    53    56   3.62500 -1.0 2.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43    46    47   3.62500 -1.0 2.0
   42    43   -46    50   3.62500 -1.0 2.0
   43    42    55    52   3.62500 -1.0 2.0
   43    42    55    75   3.62500 -1.0 2.0
   43    44    48    49   3.62500 -1.0 2.0
   43    44   -48    52   3.62500 -1.0 2.0
   43    46    50    51   3.62500 -1.0 2.0
   43    46    50    53   3.62500 -1.0 2.0
   44    43    46    47   3.62500 -1.0 2.0
   44    43    46    50   3.62500 -1.0 2.0
   44    48    52    54   3.62500 -1.0 2.0
   44    48    52    55   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    52   3.62500 -1.0 2.0
   48    52    54    58   3.62500 -1.0 2.0
   48    52    54    72   3.62500 -1.0 2.0
   48    52   -55    42   3.62500 -1.0 2.0
   48    52    55    75   3.62500 -1.0 2.0
   49    48    52    54   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    54    58    59   3.62500 -1.0 2.0
   52    54    58    64   3.62500 -1.0 2.0
   52    54    72    70   3.62500 -1.0 2.0
   52    54    72    73   3.62500 -1.0 2.0
   54    52    55    42   3.62500 -1.0 2.0
   54    52    55    75   3.62500 -1.0 2.0
   54    58    64    65   3.62500 -1.0 2.0
   54    58    64    68   3.62500 -1.0 2.0
   54    72    73    74   3.62500 -1.0 2.0
   54    72   -73    75   3.62500 -1.0 2.0
   58    54    72    70   3.62500 -1.0 2.0
   58    54    72    73   3.62500 -1.0 2.0
   58    64    68    69   3.62500 -1.0 2.0
   58    64   -68    70   3.62500 -1.0 2.0
   59    58    64    65   3.62500 -1.0 2.0
   59    58    64    68   3.62500 -1.0 2.0
   64    68    70    71   3.62500 -1.0 2.0
   64    68    70    72   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    70   3.62500 -1.0 2.0
   68    70   -72    54   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72    73    75   3.62500 -1.0 2.0
   71    70    72    54   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   72    54    58    59   3.62500 -1.0 2.0
   72    54   -58    64   3.62500 -1.0 2.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    75    55   3.62500 -1.0 2.0
   73    75    55    42   3.62500 -1.0 2.0
   73    75   -55    52   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    55   3.62500 -1.0 2.0
   76    75    55    42   3.62500 -1.0 2.0
   76    75    55    52   3.62500 -1.0 2.0
   55    42   -43    44   3.62500 -1.0 2.0
   55    42    43    46   3.62500 -1.0 2.0
   55    52    54    58   3.62500 -1.0 2.0
   55    52   -54    72   3.62500 -1.0 2.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    48   3.62500 -1.0 2.0
   46    50   -53    38   3.62500 -1.0 2.0
   46    50    53    56   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    53   3.62500 -1.0 2.0
   50    53    56    57   0.00000  1.0 1.0
   50    53    56    60   0.04150 -1.0 2.0
   50    53    56    62   0.14300 -1.0 2.0
   50    53    56    62   0.00300  1.0 3.0
   51    50    53    38   3.62500 -1.0 2.0
   51    50    53    56   3.62500 -1.0 2.0
   53    38   -42    43   3.62500 -1.0 2.0
   53    38    42    55   3.62500 -1.0 2.0
   53    56    60    61   0.43200  1.0 3.0
   53    56    60    39  -0.03700  1.0 1.0
   53    56    60    39   0.37200 -1.0 2.0
   53    56    60    39  -0.47300  1.0 3.0
   53    56    60    66   1.13150  1.0 1.0
   53    56    60    66  -1.01400 -1.0 2.0
   53    56    62    63   0.31900  1.0 1.0
   53    56    62    63  -0.11800 -1.0 2.0
   53    56    62    63   0.38750  1.0 3.0
   56    60   -39    33   0.56750  1.0 1.0
   56    60   -39    33  -0.07550 -1.0 2.0
   56    60   -39    33   0.20000  1.0 3.0
   56    60    39    40   0.62750  1.0 1.0
   56    60    39    40  -0.30950 -1.0 2.0
   56    60    39    40   0.27300  1.0 3.0
   56    60    39    41   0.15000  1.0 3.0
   56    60    66    67  -0.11600  1.0 1.0
   56    60    66    67  -0.09450 -1.0 2.0
   56    60    66    67   0.21250  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    39   0.15000  1.0 3.0
   57    56    60    66   0.23400  1.0 3.0
   57    56    62    63   0.19450  1.0 3.0
   60    56    62    63  -0.11600  1.0 1.0
   60    56    62    63  -0.09450 -1.0 2.0
   60    56    62    63   0.21250  1.0 3.0
   61    60    39    33   0.15000  1.0 3.0
   61    60    39    40   0.23400  1.0 3.0
   61    60    39    41   0.15000  1.0 3.0
   61    60    66    67   0.19450  1.0 3.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33   -38    53   0.04150 -1.0 2.0
   39    60    66    67  -0.11600  1.0 1.0
   39    60    66    67  -0.09450 -1.0 2.0
   39    60    66    67   0.21250  1.0 3.0
   66    60    39    33   0.86500  1.0 1.0
   66    60    39    33  -0.17500 -1.0 2.0
   66    60    39    33   0.20800  1.0 3.0
   66    60    39    40   3.69350  1.0 1.0
   66    60    39    40  -1.82950 -1.0 2.0
   66    60    39    41   0.23400  1.0 3.0
   62    56    60    61   0.23400  1.0 3.0
   62    56    60    39   0.86500  1.0 1.0
   62    56    60    39  -0.17500 -1.0 2.0
   62    56    60    39   0.20800  1.0 3.0
   62    56    60    66   3.75450  1.0 1.0
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
   37    30    35    36  10.50000 -1.0 2.0
   42    53    38    33   4.00000 -1.0 2.0
   43    55    42    38   4.00000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   48    45    44    43   1.10000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   54    55    52    48   4.00000 -1.0 2.0
   58    72    54    52   4.00000 -1.0 2.0
   64    59    58    54   1.10000 -1.0 2.0
   68    65    64    58   1.10000 -1.0 2.0
   70    69    68    64   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   70    73    72    54   4.00000 -1.0 2.0
   75    74    73    72   1.10000 -1.0 2.0
   55    76    75    73   1.10000 -1.0 2.0
   52    75    55    42   4.00000 -1.0 2.0
   50    47    46    43   1.10000 -1.0 2.0
   53    51    50    46   1.10000 -1.0 2.0
   50    56    53    38   4.00000 -1.0 2.0
END
