* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    135    217     398
    1     0 S   NP   _N1_     1    28.03530    97.18168   -23.55157
    2     1 S   H    _HN1     2     1.02835    36.03134   156.60111
    3     1 S   H    _H1_     3     1.02776   110.39814  -110.75228
    4     1 S   H    _H2_     4     1.02957    72.36090    -7.21088
    5     1 S   CT   _CA1     5     1.50157   133.26376    94.45538
    6     5 S   HC   _HA1     6     1.09576   105.18056    92.98102
    7     5 S   CO3  _C1_     7     1.53758   112.32826   -27.14740
    8     7 S   O2Z  _O11     8     1.26370   114.98001   -43.84503
    9     7 S   O2Z  _O12     9     1.26227   114.91824   135.07652
   10     5 S   CT   _CB1    10     1.53076   107.39925  -149.14982
   11    10 S   HC   HB11    11     1.09832   109.24898   -50.34404
   12    10 S   HC   HB12    12     1.09814   110.46030    66.17888
   13    10 S   CT   _CG1    13     1.53048   112.73841  -171.39773
   14    13 S   HC   HG11    14     1.09588   110.55355   -66.15406
   15    13 S   HC   HG12    15     1.09661   109.86727    53.08034
   16    13 S   C    _CD1    16     1.51862   112.18409   173.39568
   17    16 S   O    _OE1    17     1.22776   123.23499     3.95384
   18    16 S   N    _N2_    18     1.38579   111.84770  -176.02605
   19    18 S   H    _HN2    19     1.01562   119.08812     3.53325
   20    18 S   CT1  _CA2    20     1.45713   122.67137   176.89600
   21    20 S   HC   _HA2    21     1.09722   108.98548    26.00525
   22    20 S   C    _C2_    22     1.53199   107.39114   -91.11422
   23    22 S   O    _O2_    23     1.22966   123.18516   -20.63683
   24    20 S   CT   _CB2    32     1.53099   112.50209   149.33969
   25    24 S   HC   HB21    33     1.09582   110.14460    57.26170
   26    24 S   HC   HB22    34     1.09257   108.97253   176.05881
   27    22 S   N    _N3_    24     1.38526   112.49389   162.11241
   28    27 S   H    _HN3    25     1.01647   120.31511    -2.50726
   29    24 S   S    _SG2    35     1.82281   112.55537   -64.33561
   30    27 S   CT   _CA3    26     1.45344   122.66101   177.03093
   31    30 S   HC   HA31    27     1.09558   107.90061   -54.59880
   32    30 S   HC   HA32    28     1.09551   107.57389    61.79216
   33    29 S   CT   _C20    36     1.85201    99.67899   175.19144
   34    33 S   HC   _H4_    37     1.09175   107.13402   -46.96386
   35    30 S   CO3  _C3_    29     1.52894   114.15358  -176.40817
   36    35 S   O2Z  _O31    30     1.26360   116.02753     3.31523
   37    35 S   O2Z  _O32    31     1.26396   114.44246  -176.66252
   38    33 S   CHZ  _C15    38     1.52914   107.60725    73.89370
   39    38 S   CM   _C16    39     1.49200   116.77284    78.90684
   40    39 S   HC   _H15    40     1.08451   117.53768  -162.73912
   41    38 S   NI   _N7_    50     1.30396   126.33465   -98.09938
   42    39 S   CM   _C17    41     1.33537   121.47699    16.85659
   43    42 S   HC   _H16    42     1.08416   121.08774  -178.73979
   44    41 S   NE   _N6_    51     1.34432   118.24344    -5.21988
   45    44 S   H    _H14    52     1.01254   121.61512   -32.09045
   46    42 S   CO4  _C18    43     1.48555   121.66737     4.08878
   47    46 S   O    _O35    44     1.22879   118.59573   179.73459
   48    44 S   CA   _C12    53     1.40489   120.54990   152.60192
   49    33 S   CT   _C19    45     1.53342   113.29648  -165.84435
   50    49 S   HC   _H3_    46     1.10185   107.84647   178.24064
   51    48 S   CA   _C11    54     1.40425   122.69691    -0.42567
   52    51 S   HA   _H11    55     1.08750   120.63969     1.63063
   53    49 S   CO3  _C21    47     1.53355   111.06832    62.37665
   54    53 S   O2Z  _O37    48     1.26104   117.06734   -94.98665
   55    53 S   O2Z  _O36    49     1.26651   113.95851    84.09298
   56    51 S   CA   _C10    56     1.39732   121.10272  -177.91569
   57    56 S   HA   _H10    57     1.08598   119.05521   179.81025
   58    56 S   CA   _C9_    58     1.39155   119.34011     0.15826
   59    58 S   CA   _C14    59     1.39347   120.83214     0.65372
   60    59 S   HA   _H13    60     1.08618   121.22514   179.12486
   61    58 S   SY   _S1_    63     1.76920   120.38350   179.79064
   62    61 S   OY   _O33    64     1.44988   108.47782     2.30902
   63    61 S   OY   _O34    65     1.45075   106.35768  -128.41523
   64    48 S   CA   _C13    61     1.40451   118.98564  -177.54274
   65    64 S   HA   _H12    62     1.08790   120.15663    -1.61422
   66    61 S   NE   _N5_    66     1.69770   102.51945   118.14921
   67    66 S   H    _H9_    67     1.02482   118.36268   100.97046
   68    66 S   CA   _C7_    68     1.43089   121.87327   -60.56601
   69    68 S   CA   _C8_    69     1.38939   118.37319   168.71366
   70    69 S   HA   _H8_    70     1.08489   121.65649    -2.20930
   71    69 S   CA   _C4_    71     1.39190   118.29131   177.98549
   72    71 S   HA   _H5_    72     1.08606   120.13988   179.55238
   73    71 S   CA   _C5_    73     1.38917   119.69498    -0.62994
   74    73 S   HA   _H6_    74     1.08394   121.08936  -180.00000
   75    73 S   CA   _C6_    75     1.38396   117.82900    -0.28667
   76    75 S   HA   _H7_    76     1.08520   120.90668  -179.64392
   77    68 S   NB   _N4_    77     1.35013   118.35533   -14.87698
  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  12   8   4   7   6   3   8   3   6   3   9
   4   3   8   4   2   1   1   9   3  10   7   3   8   4   3   1
   1   7   3   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    50    53    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    46    47    49    50    53    54    55    41    44  
   38    39    46    49    50    53    41  
   36    37  
   37  
    0  
   39    40    42    43    46    49    50    53    41    44    45    48  
   40    42    43    46    47    49    41    44  
   42    43    46    41  
   44    45    48    51    64    42    49  
   43    46    47    49    50    53  
   46    47    49  
   45    48    51    52    56    59    64    65  
   48    51    64  
   47    49    50    53    54    55  
   49    50    53  
   51    52    56    57    58    59    60    64    65  
   50    53    54    55  
   53    54    55  
   52    56    57    58    59    64    65    61  
   56    57    58    64  
   54    55  
   55  
    0  
   57    58    59    60    64    61    62    63    66  
   58    59    61  
   59    60    64    65    61    62    63    66    67    68  
   60    64    65    61    62    63    66  
   64    65    61  
   62    63    66    67    68    69    77    64  
   63    66    67    68  
   66    67    68  
   65  
    0  
   67    68    69    70    71    75    77  
   68    69    77  
   69    70    71    72    73    75    76    77  
   70    71    72    73    74    75    77  
   71    72    73    77  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.155400   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   3.7500   0.1050   0.408500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.294700   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2800   0.1700  -0.276700   1.8540   1.6400   0.005000000   0.000000000
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.3000   0.1700  -0.580000   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   62   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   63   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.2500   0.1700  -0.610600   1.8100   1.6000   0.054801302  -1.445846770
   67   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.685000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   77   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
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   285.000  1.496
   33    49   268.000  1.529
   38    39   360.000  1.437
   38    41   645.000  1.280
   39    40   340.000  1.080
   39    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    53   317.000  1.522
   53    54   656.000  1.250
   53    55   656.000  1.250
   41    44   355.000  1.315
   44    45   434.000  1.010
   44    48   481.000  1.340
   48    51   469.000  1.400
   48    64   469.000  1.400
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   469.000  1.400
   58    61   225.000  1.779
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   61    62   735.000  1.471
   61    63   735.000  1.471
   61    66   220.000  1.729
   66    67   434.000  1.010
   66    68   481.000  1.340
   68    69   469.000  1.400
   68    77   483.000  1.339
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   483.000  1.339
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  114.43000
   29    33    49    75.00000  111.63000
   33    38    39    55.00000  127.86000
   33    38    41    65.00000  122.16000
   33    49    46    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    53    70.00000  109.69300
   38    33    34    45.00000  110.40700
   38    39    40    35.00000  118.70300
   38    39    42    70.00000  117.49700
   38    41    44    85.00000  114.46500
   39    42    43    35.00000  120.00000
   39    42    46    65.00000  118.96000
   42    39    40    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    49    65.00000  118.62400
   46    42    43    40.00000  117.72500
   46    49    50    35.00000  109.50000
   46    49    53    70.00000  107.85200
   49    33    34    37.50000  110.70000
   49    33    38    75.00000  111.15500
   49    46    47    80.00000  120.40000
   49    53    54    70.00000  117.00000
   49    53    55    70.00000  117.00000
   53    49    50    35.00000  109.50000
   55    53    54    80.00000  126.00000
   41    38    39    65.00000  123.49500
   41    44    45    50.00000  117.11400
   41    44    48    75.00000  120.05000
   44    48    51    70.00000  120.10000
   44    48    64    70.00000  120.10000
   48    44    45    35.00000  113.50000
   48    51    52    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    64    59    63.00000  120.00000
   48    64    65    35.00000  120.00000
   51    56    57    35.00000  120.00000
   51    56    58    63.00000  120.00000
   56    51    52    35.00000  120.00000
   56    58    59    63.00000  120.00000
   56    58    61    65.00000  117.06700
   58    56    57    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    64    63.00000  120.00000
   58    61    62   100.00000  107.67100
   58    61    63   100.00000  107.67100
   58    61    66    90.00000  101.56900
   59    64    65    35.00000  120.00000
   64    48    51    63.00000  120.00000
   64    59    60    35.00000  120.00000
   61    58    59    65.00000  117.06700
   61    66    67    35.00000  114.50000
   61    66    68    85.28000  125.46500
   63    61    62   115.00000  120.17200
   66    61    62   115.00000  105.11000
   66    61    63   115.00000  105.11000
   66    68    69    70.00000  120.10000
   66    68    77    80.00000  117.25000
   68    66    67    35.00000  113.50000
   68    69    70    35.00000  120.00000
   68    69    71    63.00000  120.00000
   68    77    75    70.00000  117.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    70.00000  124.00000
   75    73    74    35.00000  120.00000
   77    68    69    70.00000  124.00000
   77    75    76    35.00000  116.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.00000  1.0 1.0
   29    33    49    46   0.56750  1.0 1.0
   29    33    49    46  -0.07550 -1.0 2.0
   29    33    49    46   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    53   0.56750  1.0 1.0
   29    33    49    53  -0.07550 -1.0 2.0
   29    33    49    53   0.20000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    42   0.69550 -1.0 2.0
   33    38    41    44   6.00000 -1.0 2.0
   33    49    53    54   0.41150 -1.0 2.0
   33    49    53    55   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    49    46  -0.11250  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    53  -0.11250  1.0 3.0
   38    33    49    46  -0.98800  1.0 1.0
   38    33    49    46   0.48800 -1.0 2.0
   38    33    49    46   0.76800  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    53  -0.98800  1.0 1.0
   38    33    49    53   0.48800 -1.0 2.0
   38    33    49    53   0.76800  1.0 3.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39   -42    46   7.00000 -1.0 2.0
   38    41    44    45   2.00000 -1.0 2.0
   38    41    44    48   2.00000 -1.0 2.0
   39    38    41    44   6.00000 -1.0 2.0
   39    42    46    47   1.00000 -1.0 2.0
   39    42    46    49  -0.33500  1.0 1.0
   39    42    46    49   1.06600 -1.0 2.0
   39    42    46    49  -0.14000  1.0 3.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    46   7.00000 -1.0 2.0
   42    46   -49    33   0.65300  1.0 1.0
   42    46   -49    33  -0.03850 -1.0 2.0
   42    46   -49    33   0.33900  1.0 3.0
   42    46    49    50   0.00000  1.0 1.0
   42    46    49    53   0.65300  1.0 1.0
   42    46    49    53  -0.03850 -1.0 2.0
   42    46    49    53   0.33900  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    49   0.04550  1.0 1.0
   43    42    46    49   0.83000 -1.0 2.0
   43    42    46    49  -0.04000  1.0 3.0
   46    49    53    54   0.30150 -1.0 2.0
   46    49    53    55   0.30150 -1.0 2.0
   47    46    49    33   0.30150 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    53   0.30150 -1.0 2.0
   49    33   -38    39   0.09850  1.0 1.0
   49    33   -38    39   0.15250 -1.0 2.0
   49    33   -38    39  -0.50650  1.0 3.0
   49    33    38    41   0.00000  1.0 1.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   41    38    39    40   1.00600 -1.0 2.0
   41    38    39    42   1.09650  1.0 1.0
   41    38    39    42   0.48950 -1.0 2.0
   41    38    39    42   0.49400  1.0 3.0
   41    44    48    51   0.75000 -1.0 2.0
   41    44    48    64   0.75000 -1.0 2.0
   44    48    51    52   3.62500 -1.0 2.0
   44    48    51    56   3.62500 -1.0 2.0
   44    48    64    59   3.62500 -1.0 2.0
   44    48    64    65   3.62500 -1.0 2.0
   45    44    48    51   1.00000 -1.0 2.0
   45    44    48    64   1.00000 -1.0 2.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51    56    58   3.62500 -1.0 2.0
   51    48    64    59   3.62500 -1.0 2.0
   51    48    64    65   3.62500 -1.0 2.0
   51    56   -58    59   3.62500 -1.0 2.0
   51    56    58    61   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   52    51    56    58   3.62500 -1.0 2.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58    59    64   3.62500 -1.0 2.0
   56    58    61    62   0.19500  1.0 1.0
   56    58    61    62   0.12000 -1.0 2.0
   56    58    61    63   0.19500  1.0 1.0
   56    58    61    63   0.12000 -1.0 2.0
   56    58    61    66  -0.25000 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    61   3.62500 -1.0 2.0
   58    59   -64    48   3.62500 -1.0 2.0
   58    59    64    65   3.62500 -1.0 2.0
   58    61    66    67   0.00000  1.0 1.0
   58    61    66    68  -1.00000  1.0 1.0
   58    61    66    68   0.50000  1.0 3.0
   59    58    61    62   0.19500  1.0 1.0
   59    58    61    62   0.12000 -1.0 2.0
   59    58    61    63   0.19500  1.0 1.0
   59    58    61    63   0.12000 -1.0 2.0
   59    58    61    66  -0.25000 -1.0 2.0
   60    59    64    48   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   64    48    51    52   3.62500 -1.0 2.0
   64    48   -51    56   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    64   3.62500 -1.0 2.0
   61    66    68    69   0.75000 -1.0 2.0
   61    66    68    77   0.96250 -1.0 2.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    68   0.00000  1.0 1.0
   63    61    66    67   0.00000  1.0 1.0
   63    61    66    68   0.00000  1.0 1.0
   66    68    69    70   3.62500 -1.0 2.0
   66    68    69    71   3.62500 -1.0 2.0
   66    68    77    75   3.62500 -1.0 2.0
   67    66    68    69   1.00000 -1.0 2.0
   67    66    68    77   1.75000 -1.0 2.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    73   3.62500 -1.0 2.0
   69    68    77    75   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    68   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   76    75    77    68   3.62500 -1.0 2.0
   77    68    69    70   3.62500 -1.0 2.0
   77    68   -69    71   3.62500 -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
   33    39    38    41  10.50000 -1.0 2.0
   38    40    39    42   1.10000 -1.0 2.0
   46    43    42    39   1.10000 -1.0 2.0
   42    49    46    47  10.50000 -1.0 2.0
   54    49    53    55  10.50000 -1.0 2.0
   45    48    44    41   1.00000 -1.0 2.0
   51    64    48    44   4.00000 -1.0 2.0
   56    52    51    48   1.10000 -1.0 2.0
   58    57    56    51   1.10000 -1.0 2.0
   59    61    58    56   4.00000 -1.0 2.0
   64    60    59    58   1.10000 -1.0 2.0
   59    65    64    48   1.10000 -1.0 2.0
   67    61    66    68   1.00000 -1.0 2.0
   69    77    68    66   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
END
