* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    140    215     402
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02073    97.96794   -54.18075
    3     1 S   H    _H1_     3     1.02095    81.16665    53.60946
    4     1 S   H    _H2_     4     1.02176    35.48125  -165.37201
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08575   109.89770   179.09691
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C19    36     1.82851    97.93098   161.83807
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C18    37     1.51889   107.76768   -60.00039
   38    37 S   O    _O36    38     1.22829   122.40796    94.98122
   39    33 S   OS   _O38    73     1.42089   110.35941    57.55517
   40    37 S   CA   _C15    39     1.48381   117.58840   -83.36603
   41    39 S   CT   _C22    74     1.42132   111.51903    62.52307
   42    41 S   HC   _H11    75     1.09316   109.49389  -180.00000
   43    41 S   HC   _H12    76     1.09219   109.55417    59.23581
   44    41 S   HC   _H13    77     1.09266   109.00608   -60.44934
   45    40 S   CA   _C14    40     1.39811   120.86642   -13.45086
   46    45 S   CA   _C13    41     1.40060   119.96705   178.23165
   47    46 S   OM   _O39    42     1.28673   120.41572   179.86294
   48    45 S   CO4  _C21    68     1.48144   120.88087    -3.01934
   49    48 S   O    _O37    69     1.22672   120.80618   174.98949
   50    46 S   CA   _C12    43     1.39866   119.59886     0.37846
   51    33 S   CT   _C20    70     1.52106   111.62934   177.58022
   52    51 S   HC   _H9_    71     1.09757   110.38710   -52.23512
   53    51 S   HC   _H10    72     1.09753   110.35473  -168.95040
   54    50 S   CA   _C17    44     1.39264   120.60922     0.12354
   55    50 S   CO4  _C11    57     1.47150   120.68681   179.87805
   56    55 S   O    _O33    58     1.22188   121.74091     0.23155
   57    40 S   CA   _C16    45     1.40061   119.08257   165.47722
   58    54 S   OS   _O34    48     1.37344   123.88113   179.92598
   59    57 S   OH   _O35    46     1.36573   121.94986     0.26393
   60    59 S   HO   _H8_    47     0.96873   109.98485     0.00000
   61    58 S   CA   _C9_    49     1.37338   118.27672    -0.12033
   62    61 S   CA   _C8_    50     1.39653   116.49407  -179.96044
   63    62 S   HA   _H7_    51     1.08691   120.10146    -0.00000
   64    62 S   CA   _C7_    52     1.39506   120.01114   179.96574
   65    64 S   CA   _C6_    53     1.39549   120.09087     0.03956
   66    65 S   HA   _H6_    54     1.08734   119.52785   180.00000
   67    64 S   OS   _O40    63     1.36109   119.96408   180.00000
   68    65 S   CA   _C5_    55     1.39503   120.16778    -0.00000
   69    67 S   CT   _C23    64     1.42719   117.03109     0.03956
   70    69 S   HC   _H14    65     1.09254   109.49619   179.98022
   71    69 S   HC   _H15    66     1.09277   109.49769    59.22866
   72    69 S   HC   _H16    67     1.09206   108.97632   -60.40545
   73    61 S   CA   _C10    56     1.39409   123.82155     0.05234
   74    68 S   CT   _C4_    59     1.49453   116.28675  -179.92867
   75    74 S   HC   _H3_    60     1.09573   110.23834    90.02627
   76    74 S   HC   _H4_    61     1.09723   111.07645  -149.53277
   77    74 S   HC   _H5_    62     1.09620   111.13856   -30.57089
  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
  15   2   1   1  13   5   9  12   4   2   1   1  12  11   4   6
   3   9   2   1   1   9   9   3   4   7   1   1   8   8   4  10
   9   4   5   5   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    51    52    53    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    57    48    49    51    52    53    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    46    54    57    59    48    51    52    53    39    41  
   40    45    57    51    39  
   41    42    43    44    40    48    51    52    53  
   45    46    47    50    54    57    59    60    58    48    49    51  
   42    43    44    51  
   43    44  
   44  
    0  
   46    47    50    54    57    59    55    48    49    51    52    53  
   47    50    54    57    58    73    55    56    48    49    51  
   50    54    55    48  
   49    51    52    53    50    57  
   51    52    53  
   54    57    59    58    61    68    73    55    56  
   52    53  
   53  
    0  
   57    59    60    58    61    62    73    55    56  
   56    74    57    58    61    62    65    68    73  
   61    68    73  
   59    60    58    61  
   61    62    63    64    68    73    59  
   60  
    0  
   62    63    64    65    68    73    74    67  
   63    64    65    66    68    73    67    69  
   64    65    73    67  
   65    66    68    73    74    67    69    70    71    72  
   66    68    73    74    75    76    77    67    69  
   68    73    74    67  
   69    70    71    72    68  
   73    74    75    76    77  
   70    71    72  
   71    72  
   72  
    0  
   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  -0.316400   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   0.396900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    51   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    45   469.000  1.400
   40    57   469.000  1.400
   45    46   469.000  1.400
   45    48   310.000  1.470
   46    47   450.000  1.364
   46    50   469.000  1.400
   50    54   469.000  1.400
   50    55   310.000  1.470
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    59   450.000  1.364
   59    60   553.000  0.945
   58    61   450.000  1.364
   61    62   469.000  1.400
   61    73   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   469.000  1.400
   64    67   450.000  1.364
   65    66   367.000  1.080
   65    68   469.000  1.400
   68    73   469.000  1.400
   68    74   317.000  1.510
   73    55   310.000  1.470
   55    56   570.000  1.229
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   67    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   48    49   570.000  1.229
   48    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    51    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    51    48    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    53    37.50000  110.70000
   33    39    41    60.00000  109.50000
   37    40    45    60.00000  119.52600
   37    40    57    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    45    46    63.00000  120.00000
   40    45    48    60.00000  119.52600
   40    57    54    63.00000  120.00000
   40    57    59    70.00000  120.00000
   45    46    47    70.00000  120.00000
   45    46    50    63.00000  120.00000
   45    48    49    75.00000  123.78400
   45    48    51    65.00000  115.47100
   46    50    54    63.00000  120.00000
   46    50    55    60.00000  119.52600
   50    46    47    70.00000  120.00000
   50    54    57    63.00000  120.00000
   50    54    58    70.00000  120.00000
   50    55    73    65.00000  116.00000
   50    55    56    75.00000  123.78400
   54    57    59    70.00000  120.00000
   54    58    61    85.00000  114.70000
   57    40    45    63.00000  120.00000
   57    59    60    35.00000  113.00000
   58    54    57    70.00000  120.00000
   58    61    62    70.00000  120.00000
   58    61    73    70.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    64    63.00000  120.00000
   61    73    68    63.00000  120.00000
   61    73    55    60.00000  119.52600
   62    64    65    63.00000  120.00000
   62    64    67    70.00000  120.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    68    63.00000  120.00000
   64    67    69    75.00000  111.00000
   65    68    73    63.00000  120.00000
   65    68    74    70.00000  120.00000
   68    65    66    35.00000  120.00000
   68    73    55    60.00000  119.52600
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    77    35.00000  109.50000
   73    61    62    63.00000  120.00000
   73    55    56    75.00000  123.78400
   55    50    54    60.00000  119.52600
   74    68    73    70.00000  120.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   67    64    65    70.00000  120.00000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   48    45    46    60.00000  119.52600
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   51    33    37    63.00000  111.10000
   51    48    49    80.00000  120.40000
   53    51    52    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    51    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    51    48   0.56750  1.0 1.0
   29    33    51    48  -0.07550 -1.0 2.0
   29    33    51    48   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.15000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45   2.26350  1.0 1.0
   33    37    40    45   0.76750 -1.0 2.0
   33    37    40    45   0.22500  1.0 3.0
   33    37    40    57   2.26350  1.0 1.0
   33    37    40    57   0.76750 -1.0 2.0
   33    37    40    57   0.22500  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    51    48   0.11950  1.0 1.0
   37    33    51    48   0.20300 -1.0 2.0
   37    33    51    48  -0.70800  1.0 3.0
   37    33    51    52  -0.11250  1.0 3.0
   37    33    51    53  -0.11250  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40    45    46   3.62500 -1.0 2.0
   37    40   -45    48   3.62500 -1.0 2.0
   37    40    57    54   3.62500 -1.0 2.0
   37    40    57    59   3.62500 -1.0 2.0
   38    37    40    45   1.05000 -1.0 2.0
   38    37    40    57   1.05000 -1.0 2.0
   40    45    46    47   3.62500 -1.0 2.0
   40    45    46    50   3.62500 -1.0 2.0
   40    45    48    49   1.05000 -1.0 2.0
   40    45    48    51   2.26350  1.0 1.0
   40    45    48    51   0.76750 -1.0 2.0
   40    45    48    51   0.22500  1.0 3.0
   40    57    59    60   0.84100 -1.0 2.0
   45    40    57    54   3.62500 -1.0 2.0
   45    40    57    59   3.62500 -1.0 2.0
   45    46   -50    54   3.62500 -1.0 2.0
   45    46    50    55   3.62500 -1.0 2.0
   45    48   -51    33   0.05850 -1.0 2.0
   45    48   -51    33   0.17250  1.0 3.0
   45    48    51    52   0.00000  1.0 1.0
   45    48    51    53   0.00000  1.0 1.0
   46    45    48    49   1.05000 -1.0 2.0
   46    45    48    51   2.26350  1.0 1.0
   46    45    48    51   0.76750 -1.0 2.0
   46    45    48    51   0.22500  1.0 3.0
   46    50    54    57   3.62500 -1.0 2.0
   46    50    54    58   3.62500 -1.0 2.0
   46    50    55    73   0.56600 -1.0 2.0
   46    50    55    56   1.05000 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   47    46    50    55   3.62500 -1.0 2.0
   50    54   -57    40   3.62500 -1.0 2.0
   50    54    57    59   3.62500 -1.0 2.0
   50    54    58    61   0.47150 -1.0 2.0
   54    50    55    73   0.56600 -1.0 2.0
   54    50    55    56   1.05000 -1.0 2.0
   54    57    59    60   0.84100 -1.0 2.0
   54    58    61    62   0.47150 -1.0 2.0
   54    58   -61    73   0.47150 -1.0 2.0
   57    40   -45    46   3.62500 -1.0 2.0
   57    40    45    48   3.62500 -1.0 2.0
   57    54    58    61   0.47150 -1.0 2.0
   58    54    57    40   3.62500 -1.0 2.0
   58    54    57    59   3.62500 -1.0 2.0
   58    61    62    63   3.62500 -1.0 2.0
   58    61    62    64   3.62500 -1.0 2.0
   58    61    73    68   3.62500 -1.0 2.0
   58    61    73    55   3.62500 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    67   3.62500 -1.0 2.0
   61    73   -55    50   0.56600 -1.0 2.0
   61    73    55    56   1.05000 -1.0 2.0
   62    61    73    68   3.62500 -1.0 2.0
   62    61    73    55   3.62500 -1.0 2.0
   62    64    65    66   3.62500 -1.0 2.0
   62    64   -65    68   3.62500 -1.0 2.0
   62    64    67    69   1.63200 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    67   3.62500 -1.0 2.0
   64    65    68    73   3.62500 -1.0 2.0
   64    65    68    74   3.62500 -1.0 2.0
   64    67    69    70   0.08050  1.0 3.0
   64    67    69    71   0.08050  1.0 3.0
   64    67    69    72   0.08050  1.0 3.0
   65    64    67    69   1.63200 -1.0 2.0
   65    68   -73    61   3.62500 -1.0 2.0
   65    68    73    55   3.62500 -1.0 2.0
   65    68    74    75   0.00000  1.0 1.0
   65    68    74    76   0.00000  1.0 1.0
   65    68    74    77   0.00000  1.0 1.0
   66    65    68    73   3.62500 -1.0 2.0
   66    65    68    74   3.62500 -1.0 2.0
   68    73    55    50   0.56600 -1.0 2.0
   68    73    55    56   1.05000 -1.0 2.0
   73    61    62    63   3.62500 -1.0 2.0
   73    61   -62    64   3.62500 -1.0 2.0
   73    68    74    75   0.00000  1.0 1.0
   73    68    74    76   0.00000  1.0 1.0
   73    68    74    77   0.00000  1.0 1.0
   55    50    54    57   3.62500 -1.0 2.0
   55    50   -54    58   3.62500 -1.0 2.0
   74    68    73    61   3.62500 -1.0 2.0
   74    68    73    55   3.62500 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    68   3.62500 -1.0 2.0
   48    45    46    47   3.62500 -1.0 2.0
   48    45    46    50   3.62500 -1.0 2.0
   49    48    51    33   0.30150 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   51    33    37    38   0.30150 -1.0 2.0
   51    33   -37    40   0.05850 -1.0 2.0
   51    33   -37    40   0.17250  1.0 3.0
   51    33    39    41   0.06250  1.0 1.0
   51    33    39    41  -0.01100 -1.0 2.0
   51    33    39    41   0.28050  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    51    48  -0.09450  1.0 1.0
   39    33    51    48  -1.12950 -1.0 2.0
   39    33    51    48   0.54000  1.0 3.0
   39    33    51    52   0.23400  1.0 3.0
   39    33    51    53   0.23400  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   45    57    40    37   4.00000 -1.0 2.0
   46    48    45    40   4.00000 -1.0 2.0
   50    47    46    45   4.00000 -1.0 2.0
   54    55    50    46   4.00000 -1.0 2.0
   57    58    54    50   4.00000 -1.0 2.0
   54    59    57    40   4.00000 -1.0 2.0
   62    73    61    58   4.00000 -1.0 2.0
   64    63    62    61   1.10000 -1.0 2.0
   65    67    64    62   4.00000 -1.0 2.0
   68    66    65    64   1.10000 -1.0 2.0
   73    74    68    65   4.00000 -1.0 2.0
   68    55    73    61   4.00000 -1.0 2.0
   50    73    55    56  10.50000 -1.0 2.0
   45    51    48    49  10.50000 -1.0 2.0
END
