* LIGAND DATABASE FILE (OPLS2005)
*
001      76    80    141    239     421
    1     0 S   NP   _N1_     1    28.62038    97.54307   -23.26385
    2     1 S   H    _HN1     2     1.02957    60.40652    15.39560
    3     1 S   H    _H1_     3     1.02835    50.22637   171.09987
    4     1 S   H    _H2_     4     1.02776   104.66410   -87.63138
    5     1 S   CT   _CA1     5     1.50128   142.72047   100.54025
    6     5 S   HC   _HA1     6     1.09574   105.21682   109.98219
    7     5 S   CO3  _C1_     7     1.53786   112.36809   -10.21357
    8     7 S   O2Z  _O11     8     1.26366   114.99671   -43.77893
    9     7 S   O2Z  _O12     9     1.26235   114.93212   135.32598
   10     5 S   CT   _CB1    10     1.53096   107.42351  -132.10155
   11    10 S   HC   HB11    11     1.09827   109.33445   -50.47629
   12    10 S   HC   HB12    12     1.09816   110.42462    66.07996
   13    10 S   CT   _CG1    13     1.53018   112.67199  -171.54604
   14    13 S   HC   HG11    14     1.09594   110.49335   -64.38065
   15    13 S   HC   HG12    15     1.09657   109.91529    54.82013
   16    13 S   C    _CD1    16     1.51844   112.31812   175.19429
   17    16 S   O    _OE1    17     1.22750   123.27264     0.48376
   18    16 S   N    _N2_    18     1.38551   111.70247  -179.54759
   19    18 S   H    _HN2    19     1.01558   119.01408     4.62910
   20    18 S   CT1  _CA2    20     1.45735   122.89251   177.81090
   21    20 S   HC   _HA2    21     1.09738   109.00199    23.37116
   22    20 S   C    _C2_    22     1.53029   107.55296   -93.68583
   23    22 S   O    _O2_    23     1.22968   123.07727   -24.91654
   24    20 S   CT   _CB2    32     1.53163   112.11934   146.65609
   25    24 S   HC   HB21    33     1.09573   110.52790    51.60326
   26    24 S   HC   HB22    34     1.09331   108.89036   170.62764
   27    22 S   N    _N3_    24     1.38623   112.47983   158.05469
   28    27 S   H    _HN3    25     1.01664   120.26514    -3.50487
   29    24 S   S    _SG2    35     1.82494   111.43872   -69.97759
   30    27 S   CT   _CA3    26     1.45360   122.50496   177.03634
   31    30 S   HC   HA31    27     1.09582   107.51501   -57.44593
   32    30 S   HC   HA32    28     1.09543   107.89445    58.81969
   33    29 S   CT   _C25    36     1.87148   101.07543   168.86490
   34    33 S   HC   _H3_    37     1.09919   104.80183   -65.04283
   35    30 S   CO3  _C3_    29     1.52863   114.12417  -179.74207
   36    35 S   O2Z  _O31    30     1.26329   115.90694   -20.80374
   37    35 S   O2Z  _O32    31     1.26428   114.61702   159.40421
   38    33 S   CT   _C22    38     1.56712   113.24408    54.26373
   39    38 S   OM   _O23    39     1.32755   108.78635  -176.75158
   40    38 S   HC   _H37    40     1.09090   103.57581   -50.45601
   41    33 S   CT   _C24    71     1.54944   107.01390   179.16327
   42    41 S   HC   _H39    72     1.09660   111.36371    25.48347
   43    38 S   CA   _C21    41     1.55060   109.37840    63.70263
   44    41 S   OH   _O25    73     1.43965   108.44915   139.46874
   45    44 S   HO   _H42    74     0.97537   106.58885    54.10361
   46    43 S   CA   _C19    42     1.46943   122.40278  -130.64550
   47    46 S   CA   _C17    43     1.45639   127.08881   -16.62548
   48    46 S   CA   _C18    63     1.42491   116.35008   161.64775
   49    47 S   CA   _C11    44     1.42201   123.29119   -18.01800
   50    49 S   HA   _H34    45     1.08312   120.81032    -7.69661
   51    48 S   CA   _C12    64     1.41725   118.14165    11.75690
   52    51 S   HA   _H35    65     1.08635   121.63893   174.50135
   53    49 S   CA   _C7_    46     1.39471   124.43440   175.04856
   54    53 S   HA   _H30    47     1.08539   120.21571  -178.71458
   55    51 S   CA   _C13    66     1.38783   123.89891    -6.09333
   56    55 S   HA   _H36    67     1.08625   118.70011  -179.70993
   57    53 S   CA   _C6_    48     1.37253   119.09066     1.70491
   58    57 S   HA   _H29    49     1.08515   120.83565  -179.29779
   59    43 S   CA   _C20    68     1.42536   115.07768    40.71416
   60    57 S   CA   _C9_    50     1.39035   118.70918     3.03744
   61    60 S   HA   _H32    51     1.08647   115.02003   177.19998
   62    59 S   CT   _C23    69     1.51576   120.38709     9.75848
   63    62 S   HC   _H38    70     1.09754   107.15867    78.38110
   64    47 S   CA   _C15    52     1.42335   121.03232   164.50935
   65    62 S   OH   _O24    75     1.43263   112.14991  -166.84959
   66    65 S   HO   _H41    76     0.97297   106.92007  -177.49454
   67    64 S   CA   _C14    53     1.42704   119.98060     7.05972
   68    67 S   CA   _C8_    54     1.42638   122.60986  -179.27692
   69    68 S   HA   _H31    55     1.08654   121.49880     3.04015
   70    68 S   CA   _C4_    56     1.39227   123.37597  -177.16151
   71    70 S   HA   _H27    57     1.08541   120.29364  -179.97202
   72    70 S   CA   _C5_    58     1.37462   119.04112     0.03426
   73    72 S   HA   _H28    59     1.08550   120.56001  -179.93744
   74    72 S   CA   _C10    60     1.39389   119.14645    -0.69661
   75    74 S   HA   _H33    61     1.08625   114.77670  -178.50381
   76    67 S   CA   _C16    62     1.41614   119.55184     2.58073
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1  12   5   4  10   6  13   5   1  15  14  13
   8   4   8   4   6   3   6   2   5   3   4   5   2   3   2   6
   1   1   8   7   4   6   3   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    62    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    59    62    63    41    42    44    45    65  
   38    39    40    43    62    41    42    44  
   36    37  
   37  
    0  
   39    40    43    46    47    48    55    59    62    41    42    44  
   40    43    46    59    41  
   43    46    59    41  
   42    44    45    65    66    43    55    59    62    63  
   44    45    65    59    62    63  
   46    47    49    64    76    48    51    55    56    59    62    63    65  
   45    65    59    62    63  
   62  
   47    49    50    53    60    64    67    74    76    48    51    52    55    59    62  
   49    50    53    54    57    60    61    64    67    68    76    48    51    59  
   51    52    55    56    59    49    64    67    68    72    74    75    76  
   50    53    54    57    58    60    64    67  
   53    54    57    64  
   52    55    56    59    62    67    74    76  
   55    56    59    76  
   54    57    58    60    61    64  
   57    58    60  
   56    59    62    63    65    76  
   59    62  
   58    60    61    64    67  
   60    61    64  
   62    63    65    66  
   61    64    67    68    76  
   64    67  
   63    65    66  
   65    66  
   67    68    69    70    74    76  
   66  
    0  
   68    69    70    71    72    74    75    76  
   69    70    71    72    73    74    76  
   70    71    72    76  
   71    72    73    74    75    76  
   72    73    74  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    43   317.000  1.510
   43    46   469.000  1.400
   43    59   469.000  1.400
   46    47   469.000  1.400
   46    48   469.000  1.400
   47    49   469.000  1.400
   47    64   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    67   469.000  1.400
   67    68   469.000  1.400
   67    76   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   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    48   469.000  1.400
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    62   317.000  1.510
   62    63   340.000  1.090
   62    41   268.000  1.529
   62    65   320.000  1.410
   41    42   340.000  1.090
   41    44   320.000  1.410
   44    45   553.000  0.945
   65    66   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    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  112.17500
   33    41    62    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    44    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    46    70.00000  120.00000
   38    43    59    70.00000  120.00000
   40    38    39    45.00000  125.66300
   43    38    39    85.00000  111.85700
   43    38    40    35.00000  109.50000
   43    46    47    63.00000  120.00000
   43    46    48    63.00000  120.00000
   43    59    55    63.00000  120.00000
   43    59    62    70.00000  120.00000
   46    47    49    63.00000  120.00000
   46    47    64    63.00000  120.00000
   46    48    76    63.00000  120.00000
   46    48    51    63.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    53    63.00000  120.00000
   47    64    60    63.00000  120.00000
   47    64    67    63.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    57    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    60    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    64    63.00000  120.00000
   60    57    58    35.00000  120.00000
   60    64    67    63.00000  120.00000
   64    47    49    63.00000  120.00000
   64    60    61    35.00000  120.00000
   64    67    68    63.00000  120.00000
   64    67    76    63.00000  120.00000
   67    68    69    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    76    74    63.00000  120.00000
   67    76    48    63.00000  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    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    48    63.00000  120.00000
   76    67    68    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    48    51    63.00000  120.00000
   48    46    47    63.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    55    63.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    59    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    59    62    70.00000  120.00000
   59    43    46    63.00000  120.00000
   59    55    56    35.00000  120.00000
   59    62    63    35.00000  109.50000
   59    62    41    70.00000  112.17500
   59    62    65    90.00000  112.51600
   62    41    42    37.50000  110.70000
   62    41    44    50.00000  109.50000
   62    65    66    55.00000  108.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    62    63    37.50000  110.70000
   41    44    45    55.00000  108.50000
   44    41    42    35.00000  109.50000
   65    62    63    35.00000  109.50000
   65    62    41    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    62   0.44750  1.0 1.0
   29    33    41    62  -0.17800 -1.0 2.0
   29    33    41    62   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44   0.56750  1.0 1.0
   29    33    41    44  -0.07550 -1.0 2.0
   29    33    41    44   0.20000  1.0 3.0
   33    38    43    46   0.04150 -1.0 2.0
   33    38    43    59   0.04150 -1.0 2.0
   33    41    44    45  -0.11600  1.0 1.0
   33    41    44    45  -0.09450 -1.0 2.0
   33    41    44    45   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.43200  1.0 3.0
   34    33    41    62   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    44   0.23400  1.0 3.0
   38    33    41    62   0.56750  1.0 1.0
   38    33    41    62  -0.07550 -1.0 2.0
   38    33    41    62   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    44   0.86500  1.0 1.0
   38    33    41    44  -0.17500 -1.0 2.0
   38    33    41    44   0.20800  1.0 3.0
   38    43    46    47   3.62500 -1.0 2.0
   38    43    46    48   3.62500 -1.0 2.0
   38    43    59    55   3.62500 -1.0 2.0
   38    43   -59    62   3.62500 -1.0 2.0
   39    38    43    46   0.64500  1.0 1.0
   39    38    43    46   0.14800 -1.0 2.0
   39    38    43    46   0.20650  1.0 3.0
   39    38    43    59   0.64500  1.0 1.0
   39    38    43    59   0.14800 -1.0 2.0
   39    38    43    59   0.20650  1.0 3.0
   40    38    43    46   0.00000  1.0 1.0
   40    38    43    59   0.00000  1.0 1.0
   43    46    47    49   3.62500 -1.0 2.0
   43    46    47    64   3.62500 -1.0 2.0
   43    46    48    76   3.62500 -1.0 2.0
   43    46    48    51   3.62500 -1.0 2.0
   43    59    62    63   0.00000  1.0 1.0
   43    59    62    41   0.04150 -1.0 2.0
   43    59    62    65   0.14300 -1.0 2.0
   43    59    62    65   0.00300  1.0 3.0
   46    43    59    55   3.62500 -1.0 2.0
   46    43    59    62   3.62500 -1.0 2.0
   46    47    49    50   3.62500 -1.0 2.0
   46    47    49    53   3.62500 -1.0 2.0
   46    47    64    60   3.62500 -1.0 2.0
   46    47    64    67   3.62500 -1.0 2.0
   46    48    51    52   3.62500 -1.0 2.0
   46    48   -51    55   3.62500 -1.0 2.0
   47    46    48    76   3.62500 -1.0 2.0
   47    46    48    51   3.62500 -1.0 2.0
   47    49    53    54   3.62500 -1.0 2.0
   47    49    53    57   3.62500 -1.0 2.0
   47    64    67    68   3.62500 -1.0 2.0
   47    64   -67    76   3.62500 -1.0 2.0
   49    47    64    60   3.62500 -1.0 2.0
   49    47    64    67   3.62500 -1.0 2.0
   49    53    57    58   3.62500 -1.0 2.0
   49    53   -57    60   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    57   3.62500 -1.0 2.0
   53    57    60    61   3.62500 -1.0 2.0
   53    57    60    64   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    60   3.62500 -1.0 2.0
   57    60   -64    47   3.62500 -1.0 2.0
   57    60    64    67   3.62500 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   58    57    60    64   3.62500 -1.0 2.0
   60    64    67    68   3.62500 -1.0 2.0
   60    64    67    76   3.62500 -1.0 2.0
   61    60    64    47   3.62500 -1.0 2.0
   61    60    64    67   3.62500 -1.0 2.0
   64    47    49    50   3.62500 -1.0 2.0
   64    47   -49    53   3.62500 -1.0 2.0
   64    67    68    69   3.62500 -1.0 2.0
   64    67    68    70   3.62500 -1.0 2.0
   64    67    76    74   3.62500 -1.0 2.0
   64    67    76    48   3.62500 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68    70    72   3.62500 -1.0 2.0
   67    76   -48    46   3.62500 -1.0 2.0
   67    76    48    51   3.62500 -1.0 2.0
   68    67    76    74   3.62500 -1.0 2.0
   68    67    76    48   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70   -72    74   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    74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74   -76    67   3.62500 -1.0 2.0
   72    74    76    48   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    48    46   3.62500 -1.0 2.0
   74    76    48    51   3.62500 -1.0 2.0
   75    74    76    67   3.62500 -1.0 2.0
   75    74    76    48   3.62500 -1.0 2.0
   76    67    68    69   3.62500 -1.0 2.0
   76    67   -68    70   3.62500 -1.0 2.0
   76    48    51    52   3.62500 -1.0 2.0
   76    48    51    55   3.62500 -1.0 2.0
   48    46    47    49   3.62500 -1.0 2.0
   48    46   -47    64   3.62500 -1.0 2.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    55    59   3.62500 -1.0 2.0
   51    55   -59    43   3.62500 -1.0 2.0
   51    55    59    62   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    59   3.62500 -1.0 2.0
   55    59    62    63   0.00000  1.0 1.0
   55    59    62    41   0.04150 -1.0 2.0
   55    59    62    65   0.14300 -1.0 2.0
   55    59    62    65   0.00300  1.0 3.0
   56    55    59    43   3.62500 -1.0 2.0
   56    55    59    62   3.62500 -1.0 2.0
   59    43    46    47   3.62500 -1.0 2.0
   59    43   -46    48   3.62500 -1.0 2.0
   59    62   -41    33  -0.03700  1.0 1.0
   59    62   -41    33   0.37200 -1.0 2.0
   59    62   -41    33  -0.47300  1.0 3.0
   59    62    41    42   0.43200  1.0 3.0
   59    62    41    44   1.13150  1.0 1.0
   59    62    41    44  -1.01400 -1.0 2.0
   59    62    65    66   0.31900  1.0 1.0
   59    62    65    66  -0.11800 -1.0 2.0
   59    62    65    66   0.38750  1.0 3.0
   62    41    44    45  -0.11600  1.0 1.0
   62    41    44    45  -0.09450 -1.0 2.0
   62    41    44    45   0.21250  1.0 3.0
   63    62    41    33   0.15000  1.0 3.0
   63    62    41    42   0.15000  1.0 3.0
   63    62    41    44   0.23400  1.0 3.0
   63    62    65    66   0.19450  1.0 3.0
   41    33    38    39   0.62750  1.0 1.0
   41    33    38    39  -0.30950 -1.0 2.0
   41    33    38    39   0.27300  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    43  -0.03700  1.0 1.0
   41    33   -38    43   0.37200 -1.0 2.0
   41    33   -38    43  -0.47300  1.0 3.0
   41    62    65    66  -0.11600  1.0 1.0
   41    62    65    66  -0.09450 -1.0 2.0
   41    62    65    66   0.21250  1.0 3.0
   42    41    44    45   0.19450  1.0 3.0
   65    62    41    33   0.86500  1.0 1.0
   65    62    41    33  -0.17500 -1.0 2.0
   65    62    41    33   0.20800  1.0 3.0
   65    62    41    42   0.23400  1.0 3.0
   65    62    41    44   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
   46    59    43    38   4.00000 -1.0 2.0
   47    48    46    43   4.00000 -1.0 2.0
   49    64    47    46   4.00000 -1.0 2.0
   53    50    49    47   1.10000 -1.0 2.0
   57    54    53    49   1.10000 -1.0 2.0
   60    58    57    53   1.10000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   60    67    64    47   4.00000 -1.0 2.0
   68    76    67    64   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    48    76    67   4.00000 -1.0 2.0
   76    51    48    46   4.00000 -1.0 2.0
   55    52    51    48   1.10000 -1.0 2.0
   59    56    55    51   1.10000 -1.0 2.0
   55    62    59    43   4.00000 -1.0 2.0
END
