* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    138    223     404
    1     0 S   NP   _N1_     1    29.01420    96.06610   -24.44726
    2     1 S   H    _HN1     2     1.02953    75.18464     4.93030
    3     1 S   H    _H1_     3     1.02825    32.80097   170.98677
    4     1 S   H    _H2_     4     1.02781   111.63093   -99.29330
    5     1 S   CT   _CA1     5     1.50121   130.72964   109.27837
    6     5 S   HC   _HA1     6     1.09574   105.19625    89.88730
    7     5 S   CO3  _C1_     7     1.53790   112.45174   -30.30677
    8     7 S   O2Z  _O11     8     1.26369   115.00367   -42.13295
    9     7 S   O2Z  _O12     9     1.26242   114.94647   136.98268
   10     5 S   CT   _CB1    10     1.53080   107.40702  -152.15768
   11    10 S   HC   HB11    11     1.09830   109.33874   -49.97097
   12    10 S   HC   HB12    12     1.09816   110.44238    66.61844
   13    10 S   CT   _CG1    13     1.52986   112.64190  -170.99606
   14    13 S   HC   HG11    14     1.09587   110.55659   -65.40525
   15    13 S   HC   HG12    15     1.09667   109.86631    53.84057
   16    13 S   C    _CD1    16     1.51787   112.27533   174.22240
   17    16 S   O    _OE1    17     1.22727   123.31495     3.59548
   18    16 S   N    _N2_    18     1.38654   111.65385  -176.34468
   19    18 S   H    _HN2    19     1.01582   118.99344     1.62726
   20    18 S   CT1  _CA2    20     1.46077   123.34964   178.34247
   21    20 S   HC   _HA2    21     1.09550   109.33433     0.74756
   22    20 S   C    _C2_    22     1.53541   108.84495  -114.28440
   23    22 S   O    _O2_    23     1.23059   122.23188  -149.14480
   24    20 S   CT   _CB2    32     1.53295   111.68967   123.21032
   25    24 S   HC   HB21    33     1.09684   109.37506    62.88898
   26    24 S   HC   HB22    34     1.09503   111.05963   179.60091
   27    22 S   N    _N3_    24     1.38322   113.72041    38.39284
   28    27 S   H    _HN3    25     1.01593   119.55684    -3.51630
   29    24 S   S    _SG2    35     1.83104   114.91680   -56.34835
   30    27 S   CT   _CA3    26     1.45282   123.18808   176.98202
   31    30 S   HC   HA31    27     1.09551   107.54187   -63.71834
   32    30 S   HC   HA32    28     1.09557   107.94597    52.70906
   33    29 S   CT   _C23    36     1.82564   101.43913   -63.33512
   34    33 S   HC   _H3_    37     1.09450   110.85139    53.94871
   35    30 S   CO3  _C3_    29     1.52951   114.08997   174.68806
   36    35 S   O2Z  _O31    30     1.26374   116.05425    -0.46520
   37    35 S   O2Z  _O32    31     1.26425   114.41294   179.58410
   38    33 S   CM   _C17    38     1.48935   111.42288   -67.54983
   39    38 S   HC   _H34    39     1.09216   113.90967    78.97114
   40    38 S   CMA  _C19    40     1.35269   128.89313  -103.74776
   41    40 S   OM   _O23    41     1.26652   124.33378  -177.67131
   42    40 S   CA   _C9_    42     1.52040   114.43967     2.41703
   43    42 S   CA   _C8_    43     1.40574   121.01958   -13.45085
   44    43 S   CA   _C5_    44     1.40582   122.05550  -177.57053
   45    44 S   HA   _H31    45     1.08866   119.84289  -179.92598
   46    33 S   CO4  _C22    76     1.50858   107.51510   169.54221
   47    46 S   O    _O26    77     1.22943   121.66986   -79.67883
   48    44 S   CA   _C13    46     1.39823   121.19620    -0.68528
   49    48 S   CA   _C11    47     1.40458   118.61847    -0.22381
   50    48 S   CT   _C25    72     1.50453   119.15435  -179.69739
   51    50 S   HC   _H39    73     1.09461   110.41982   116.95291
   52    50 S   HC   _H40    74     1.09459   110.53891  -121.59327
   53    50 S   HC   _H41    75     1.09537   111.55548    -2.41484
   54    42 S   CA   _C15    48     1.42032   123.12809   168.04103
   55    49 S   CM   _C18    51     1.47847   120.66993  -179.23204
   56    54 S   OH   _O28    49     1.37924   121.60849    -2.34318
   57    56 S   HO   _H43    50     0.97528   107.71527     3.66196
   58    55 S   CM   _C16    52     1.33844   118.98194    92.79425
   59    58 S   HC   _H33    53     1.08633   121.60962    -0.28531
   60    58 S   CO4  _C21    54     1.47541   122.42768   179.60683
   61    60 S   O    _O25    55     1.22551   120.06959   179.16327
   62    60 S   CA   _C10    56     1.47791   118.24295    -0.84163
   63    62 S   CA   _C7_    57     1.39769   119.57398     0.67115
   64    63 S   CA   _C4_    58     1.40340   120.22948   179.96044
   65    64 S   HA   _H30    59     1.08829   120.35301  -179.55545
   66    55 S   CO4  _C20    70     1.48659   120.24634   -87.70040
   67    66 S   O    _O24    71     1.22607   121.35849     1.50909
   68    64 S   CA   _C12    60     1.39976   120.61126     0.52563
   69    68 S   CA   _C6_    61     1.39767   119.05153    -1.22908
   70    69 S   HA   _H32    62     1.08788   120.02263  -178.84801
   71    68 S   CT   _C24    66     1.49931   120.43636  -178.50852
   72    71 S   HC   _H36    67     1.09432   109.99672    87.78379
   73    71 S   HC   _H37    68     1.09511   110.94402  -151.73039
   74    71 S   HC   _H38    69     1.09510   110.89752   -32.72295
   75    62 S   CA   _C14    63     1.40231   121.42285  -179.58222
   76    75 S   OH   _O27    64     1.36932   123.43615    -0.09691
   77    76 S   HO   _H42    65     0.97385   108.98462     0.17246
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  10   6   2   1   1   8   4   8   3  11   9  11   4   3   1  10
  14   5   2   1   1   5  10   1   1   8   4   8   3  11   9  11
   4   3   1   8   8   3   4   2   1   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    47  
   38    39    40    43    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    54    46    47  
   40    41    42    46  
   41    42    43    44    49    54    56    46  
   42    43    54  
   43    44    45    48    49    54    56    57    55    46    47  
   44    45    48    49    54    56    50    46    47  
   45    48    49    54    55    50    51    52    53    46    47  
   48    49    50    46  
   47    48    54  
    0  
   49    54    56    55    58    66    50    51    52    53  
   54    56    57    55    58    59    60    63    66    67    50    51    52    53  
   51    52    53    54    55  
   52    53  
   53  
    0  
   56    57    55    58    66  
   58    59    60    61    62    63    64    66    67    56  
   57  
    0  
   59    60    61    62    63    75    66    67  
   60    61    62    66  
   61    62    63    64    69    75    76    66  
   62    63    75  
   63    64    65    68    69    70    75    76    77    66    67  
   64    65    68    69    75    76    71    66    67  
   65    68    69    70    75    71    72    73    74    66    67  
   68    69    71    66  
   67    68    75  
    0  
   69    70    75    76    71    72    73    74  
   70    75    76    77    71    72    73    74  
   75    76    71  
   72    73    74    75  
   73    74  
   74  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   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   3.7500   0.1050   0.585000   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    46   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   320.000  1.460
   42    43   469.000  1.400
   42    54   469.000  1.400
   43    44   469.000  1.400
   43    46   310.000  1.470
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   469.000  1.400
   48    50   317.000  1.510
   49    54   469.000  1.400
   49    55   320.000  1.460
   54    56   450.000  1.364
   56    57   553.000  0.945
   55    58   549.000  1.340
   55    66   320.000  1.462
   58    59   340.000  1.080
   58    60   320.000  1.462
   60    61   570.000  1.229
   60    62   310.000  1.470
   62    63   469.000  1.400
   62    75   469.000  1.400
   63    64   469.000  1.400
   63    66   310.000  1.470
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   469.000  1.400
   68    71   317.000  1.510
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   450.000  1.364
   76    77   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   66    67   570.000  1.229
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   46    47   570.000  1.229
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  112.20000
   29    33    46    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    43    65.00000  115.47100
   33    46    47    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    60.00000  123.20500
   40    38    39    40.00000  120.50800
   40    42    43    60.00000  120.93500
   40    42    54    60.00000  120.93500
   42    40    41    85.00000  114.86500
   42    43    44    63.00000  120.00000
   42    43    46    60.00000  119.52600
   42    54    49    63.00000  120.00000
   42    54    56    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    48    63.00000  120.00000
   43    46    47    75.00000  123.78400
   44    48    49    63.00000  120.00000
   44    48    50    70.00000  120.00000
   48    44    45    35.00000  120.00000
   48    49    54    63.00000  120.00000
   48    49    55    60.00000  118.70000
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   48    50    53    35.00000  109.50000
   49    54    56    70.00000  120.00000
   49    55    58    60.00000  123.66000
   49    55    66    60.00000  124.00000
   54    42    43    63.00000  120.00000
   54    56    57    35.00000  113.00000
   55    49    54    60.00000  118.70000
   55    58    59    35.00000  120.00000
   55    58    60    65.00000  118.96000
   55    66    63    65.00000  117.02400
   55    66    67    80.00000  123.72100
   58    60    61    80.00000  123.72100
   58    60    62    65.00000  117.02400
   60    58    59    40.00000  117.72500
   60    62    63    60.00000  119.52600
   60    62    75    60.00000  119.52600
   62    60    61    75.00000  123.78400
   62    63    64    63.00000  120.00000
   62    63    66    60.00000  119.52600
   62    75    69    63.00000  120.00000
   62    75    76    70.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    68    63.00000  120.00000
   63    66    67    75.00000  123.78400
   64    68    69    63.00000  120.00000
   64    68    71    70.00000  120.00000
   68    64    65    35.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    75    63.00000  120.00000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   69    75    76    70.00000  120.00000
   75    62    63    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    76    77    35.00000  113.00000
   71    68    69    70.00000  120.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   66    55    58    65.00000  118.96000
   66    63    64    60.00000  119.52600
   50    48    49    70.00000  120.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   46    33    34    35.00000  109.50000
   46    33    38    70.00000  109.06800
   46    43    44    60.00000  119.52600
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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    43   0.65300  1.0 1.0
   29    33    46    43  -0.03850 -1.0 2.0
   29    33    46    43   0.33900  1.0 3.0
   29    33    46    47   0.30150 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    43   0.00000  1.0 1.0
   34    33    46    47   0.00000  1.0 1.0
   38    33    46    43   0.65300  1.0 1.0
   38    33    46    43  -0.03850 -1.0 2.0
   38    33    46    43   0.33900  1.0 3.0
   38    33    46    47   0.30150 -1.0 2.0
   38    40   -42    43   0.15800  1.0 1.0
   38    40   -42    43   1.85350 -1.0 2.0
   38    40   -42    43  -0.48700  1.0 3.0
   38    40    42    54   0.15800  1.0 1.0
   38    40    42    54   1.85350 -1.0 2.0
   38    40    42    54  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42    43    46   3.62500 -1.0 2.0
   40    42    54    49   3.62500 -1.0 2.0
   40    42    54    56   3.62500 -1.0 2.0
   41    40    42    43  -0.01750  1.0 1.0
   41    40    42    43  -0.32000 -1.0 2.0
   41    40    42    43   0.00600  1.0 3.0
   41    40    42    54  -0.01750  1.0 1.0
   41    40    42    54  -0.32000 -1.0 2.0
   41    40    42    54   0.00600  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43   -46    33   2.26350  1.0 1.0
   42    43   -46    33   0.76750 -1.0 2.0
   42    43   -46    33   0.22500  1.0 3.0
   42    43    46    47   1.05000 -1.0 2.0
   42    54    56    57   0.84100 -1.0 2.0
   43    42    54    49   3.62500 -1.0 2.0
   43    42    54    56   3.62500 -1.0 2.0
   43    44   -48    49   3.62500 -1.0 2.0
   43    44    48    50   3.62500 -1.0 2.0
   44    43    46    33   2.26350  1.0 1.0
   44    43    46    33   0.76750 -1.0 2.0
   44    43    46    33   0.22500  1.0 3.0
   44    43    46    47   1.05000 -1.0 2.0
   44    48    49    54   3.62500 -1.0 2.0
   44    48    49    55   3.62500 -1.0 2.0
   44    48    50    51   0.00000  1.0 1.0
   44    48    50    52   0.00000  1.0 1.0
   44    48    50    53   0.00000  1.0 1.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    50   3.62500 -1.0 2.0
   48    49   -54    42   3.62500 -1.0 2.0
   48    49    54    56   3.62500 -1.0 2.0
   48    49    55    58   0.15800  1.0 1.0
   48    49    55    58   1.85350 -1.0 2.0
   48    49    55    58  -0.48700  1.0 3.0
   48    49    55    66  -0.01750  1.0 1.0
   48    49    55    66  -0.32000 -1.0 2.0
   48    49    55    66   0.00600  1.0 3.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52   0.00000  1.0 1.0
   49    48    50    53   0.00000  1.0 1.0
   49    54    56    57   0.84100 -1.0 2.0
   49    55    58    59   7.00000 -1.0 2.0
   49    55    58    60   7.00000 -1.0 2.0
   49    55    66    63   1.50000 -1.0 2.0
   49    55    66    67  -0.52200  1.0 1.0
   49    55    66    67   0.82950 -1.0 2.0
   54    42   -43    44   3.62500 -1.0 2.0
   54    42    43    46   3.62500 -1.0 2.0
   54    49    55    58   0.15800  1.0 1.0
   54    49    55    58   1.85350 -1.0 2.0
   54    49    55    58  -0.48700  1.0 3.0
   54    49    55    66  -0.01750  1.0 1.0
   54    49    55    66  -0.32000 -1.0 2.0
   54    49    55    66   0.00600  1.0 3.0
   55    49    54    42   3.62500 -1.0 2.0
   55    49    54    56   3.62500 -1.0 2.0
   55    58    60    61   1.00000 -1.0 2.0
   55    58    60    62  -1.65800  1.0 1.0
   55    58    60    62   0.77650 -1.0 2.0
   58    55    66    63  -1.65800  1.0 1.0
   58    55    66    63   0.77650 -1.0 2.0
   58    55    66    67   1.00000 -1.0 2.0
   58    60   -62    63  -0.11500  1.0 1.0
   58    60   -62    63   1.10450 -1.0 2.0
   58    60   -62    63  -0.48050  1.0 3.0
   58    60    62    75  -0.11500  1.0 1.0
   58    60    62    75   1.10450 -1.0 2.0
   58    60    62    75  -0.48050  1.0 3.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   1.64500 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62    63    66   3.62500 -1.0 2.0
   60    62    75    69   3.62500 -1.0 2.0
   60    62    75    76   3.62500 -1.0 2.0
   61    60    62    63   1.05000 -1.0 2.0
   61    60    62    75   1.05000 -1.0 2.0
   62    63    64    65   3.62500 -1.0 2.0
   62    63    64    68   3.62500 -1.0 2.0
   62    63   -66    55  -0.11500  1.0 1.0
   62    63   -66    55   1.10450 -1.0 2.0
   62    63   -66    55  -0.48050  1.0 3.0
   62    63    66    67   1.05000 -1.0 2.0
   62    75    76    77   0.84100 -1.0 2.0
   63    62    75    69   3.62500 -1.0 2.0
   63    62    75    76   3.62500 -1.0 2.0
   63    64   -68    69   3.62500 -1.0 2.0
   63    64    68    71   3.62500 -1.0 2.0
   64    63    66    55  -0.11500  1.0 1.0
   64    63    66    55   1.10450 -1.0 2.0
   64    63    66    55  -0.48050  1.0 3.0
   64    63    66    67   1.05000 -1.0 2.0
   64    68    69    70   3.62500 -1.0 2.0
   64    68    69    75   3.62500 -1.0 2.0
   64    68    71    72   0.00000  1.0 1.0
   64    68    71    73   0.00000  1.0 1.0
   64    68    71    74   0.00000  1.0 1.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    71   3.62500 -1.0 2.0
   68    69   -75    62   3.62500 -1.0 2.0
   68    69    75    76   3.62500 -1.0 2.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    74   0.00000  1.0 1.0
   69    75    76    77   0.84100 -1.0 2.0
   70    69    75    62   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   75    62   -63    64   3.62500 -1.0 2.0
   75    62    63    66   3.62500 -1.0 2.0
   71    68    69    70   3.62500 -1.0 2.0
   71    68    69    75   3.62500 -1.0 2.0
   66    55    58    59   7.00000 -1.0 2.0
   66    55   -58    60   7.00000 -1.0 2.0
   66    63    64    65   3.62500 -1.0 2.0
   66    63    64    68   3.62500 -1.0 2.0
   50    48    49    54   3.62500 -1.0 2.0
   50    48    49    55   3.62500 -1.0 2.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40  -0.51250  1.0 1.0
   46    33   -38    40  -0.88800 -1.0 2.0
   46    33   -38    40   0.08850  1.0 3.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    48   3.62500 -1.0 2.0
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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    54    42    40   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
   49    50    48    44   4.00000 -1.0 2.0
   54    55    49    48   4.00000 -1.0 2.0
   49    56    54    42   4.00000 -1.0 2.0
   49    66    55    58   1.10000 -1.0 2.0
   60    59    58    55   1.10000 -1.0 2.0
   58    62    60    61  10.50000 -1.0 2.0
   63    75    62    60   4.00000 -1.0 2.0
   64    66    63    62   4.00000 -1.0 2.0
   68    65    64    63   1.10000 -1.0 2.0
   69    71    68    64   4.00000 -1.0 2.0
   75    70    69    68   1.10000 -1.0 2.0
   69    76    75    62   4.00000 -1.0 2.0
   55    63    66    67  10.50000 -1.0 2.0
   33    43    46    47  10.50000 -1.0 2.0
END
