* LIGAND DATABASE FILE (OPLS2005)
*
001      75    75    135    204     399
    1     0 S   NP   _N1_     1    28.76033    96.98925   -22.60061
    2     1 S   H    _HN1     2     1.02828    41.88250   158.43737
    3     1 S   H    _H1_     3     1.02787    99.96120   -95.82695
    4     1 S   H    _H2_     4     1.02949    71.01270    10.29854
    5     1 S   CT   _CA1     5     1.50116   144.53624   109.06936
    6     5 S   HC   _HA1     6     1.09574   105.19196    92.09690
    7     5 S   CO3  _C1_     7     1.53785   112.42476   -28.12905
    8     7 S   O2Z  _O11     8     1.26372   115.01177   -43.44549
    9     7 S   O2Z  _O12     9     1.26237   114.94029   135.62459
   10     5 S   CT   _CB1    10     1.53072   107.41022  -149.94760
   11    10 S   HC   HB11    11     1.09834   109.36050   -49.77477
   12    10 S   HC   HB12    12     1.09812   110.45875    66.82566
   13    10 S   CT   _CG1    13     1.52993   112.61344  -170.74832
   14    13 S   HC   HG11    14     1.09585   110.63481   -65.72549
   15    13 S   HC   HG12    15     1.09669   109.79043    53.51425
   16    13 S   C    _CD1    16     1.51804   112.18202   173.95733
   17    16 S   O    _OE1    17     1.22738   123.26748     7.09241
   18    16 S   N    _N2_    18     1.38631   111.68786  -172.93939
   19    18 S   H    _HN2    19     1.01585   118.99184     1.55167
   20    18 S   CT1  _CA2    20     1.46254   123.45065   177.95972
   21    20 S   HC   _HA2    21     1.09742   109.31113     4.58450
   22    20 S   C    _C2_    22     1.53621   108.86214  -110.90802
   23    22 S   O    _O2_    23     1.23073   122.25577  -149.60381
   24    20 S   CT   _CB2    32     1.53562   111.48279   126.50851
   25    24 S   HC   HB21    33     1.09492   109.13982    55.94710
   26    24 S   HC   HB22    34     1.09293   109.74907   174.85669
   27    22 S   N    _N3_    24     1.38325   113.80954    37.97188
   28    27 S   H    _HN3    25     1.01567   119.56598    -3.49598
   29    24 S   S    _SG2    35     1.83151   110.78991   -64.48198
   30    27 S   CT   _CA3    26     1.45281   123.24298   177.08382
   31    30 S   HC   HA31    27     1.09549   107.51763   -64.47266
   32    30 S   HC   HA32    28     1.09556   107.98191    51.97094
   33    29 S   CT   _C11    36     1.89246   103.53381  -175.82111
   34    30 S   CO3  _C3_    29     1.52964   114.06846   173.96155
   35    34 S   O2Z  _O31    30     1.26378   116.06879    -0.63180
   36    34 S   O2Z  _O32    31     1.26427   114.41384   179.43214
   37    33 S   CM   _C12    37     1.51506   108.90134   -43.37448
   38    37 S   HC   _H12    38     1.09109   115.66704    71.82900
   39    33 S   CT   _C18    72     1.54887   104.46165    73.78054
   40    39 S   HC   _H21    73     1.09654   111.59380    65.32202
   41    39 S   HC   _H22    74     1.09522   112.86326   -56.05252
   42    39 S   HC   _H23    75     1.09649   111.67841  -174.15561
   43    37 S   CMA  _C13    39     1.34954   127.60085  -110.36887
   44    43 S   OM   _O34    40     1.26232   128.90459  -178.53848
   45    43 S   CT   _C14    41     1.52639   120.07009     0.58784
   46    45 S   HC   _H13    42     1.10193   110.13274   138.37978
   47    45 S   HC   _H14    43     1.10089   107.84986  -107.15403
   48    45 S   CT   _C15    44     1.55687   116.03021    15.71116
   49    33 S   CT   _C10    45     1.59683   110.77407  -166.14421
   50    48 S   CT   _C16    64     1.54948   108.50980    81.62193
   51    50 S   HC   _H15    65     1.09483   111.72646  -173.01478
   52    50 S   HC   _H16    66     1.09731   110.87662    67.92190
   53    50 S   HC   _H17    67     1.09255   112.59452   -50.02925
   54    48 S   CT   _C17    68     1.55505   107.71049  -165.11718
   55    54 S   HC   _H18    69     1.09464   111.84061  -176.34264
   56    54 S   HC   _H19    70     1.09454   112.33159    61.92351
   57    54 S   HC   _H20    71     1.09697   110.80535   -56.96813
   58    49 S   CM   _C9_    46     1.54265   109.67170  -156.68667
   59    58 S   HC   _H11    47     1.08763   114.39789   -62.59475
   60    49 S   OH   _O35    62     1.43757   108.14345   -39.18625
   61    60 S   HO   _H24    63     0.97039   108.77829   174.36615
   62    58 S   CM   _C8_    48     1.34637   126.92917   116.40572
   63    62 S   HC   _H10    49     1.08432   117.59340    -0.12820
   64    62 S   CM   _C5_    50     1.46123   126.23729  -179.59555
   65    64 S   CM   _C6_    51     1.34980   123.43356  -179.54158
   66    65 S   HC   _H6_    52     1.09029   117.57710  -179.37130
   67    64 S   CT   _C4_    58     1.51064   117.84982     0.64041
   68    67 S   HC   _H3_    59     1.09558   110.74235    60.34232
   69    67 S   HC   _H4_    60     1.09584   112.33248   179.81655
   70    67 S   HC   _H5_    61     1.09558   110.73916   -60.71869
   71    65 S   CT   _C7_    53     1.49694   129.41950     0.28116
   72    71 S   HC   _H7_    54     1.09459   109.44483  -116.11015
   73    71 S   HC   _H8_    55     1.09078   114.16668     5.79474
   74    71 S   OH   _O33    56     1.42247   108.26807   126.01728
   75    74 S   HO   _H9_    57     0.97230   107.00281   177.70646
  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  12   5   4   3
  18   2   1   1  14   5   8   3   2   1   8   4  14   5   4  14
  15   9   3   2   1   5   2   1   1   8   4   2   1   9   3  10
  10   5   4   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    49    58    60    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    48    49    58    59    62    60    61    50    54    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    48    49    58    60    39    40    41    42  
   43    44    45    49    39  
   40    41    42    43    48    49    58    60  
   41    42    49  
   42    49  
   49  
   44    45    46    47    48    49    50    54  
   45    46    47    48  
   46    47    48    49    58    60    50    51    52    53    54    55    56    57  
   47    48    49    50    54  
   48    49    50    54  
   49    58    59    62    60    61    50    51    52    53    54    55    56    57  
   58    59    62    63    64    60    61    50    51    52    53    54    55    56    57  
   51    52    53    54    55    56    57    58    60  
   52    53    54  
   53    54  
   54  
   55    56    57    58    60  
   56    57  
   57  
    0  
   59    62    63    64    65    67    60    61  
   62    63    64    60  
   61    62  
    0  
   63    64    65    66    71    67    68    69    70  
   64    65    67  
   65    66    71    72    73    74    67    68    69    70  
   66    71    72    73    74    75    67    68    69    70  
   71    72    73    74    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    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   0.167500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.180000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   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    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  1.510
   33    49   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   270.000  1.512
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   268.000  1.529
   48    50   268.000  1.529
   48    54   268.000  1.529
   49    58   317.000  1.510
   49    60   320.000  1.410
   58    59   340.000  1.080
   58    62   549.000  1.340
   62    63   340.000  1.080
   62    64   380.000  1.444
   64    65   549.000  1.340
   64    67   317.000  1.510
   65    66   340.000  1.080
   65    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   320.000  1.410
   74    75   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   60    61   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    49    48    58.35000  112.70000
   33    49    58    70.00000  112.02700
   33    49    60    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    45    46    45.00000  110.52000
   43    45    47    45.00000  110.52000
   43    45    48    70.00000  112.02700
   45    43    44    85.00000  112.85300
   45    48    49    58.35000  112.70000
   45    48    50    58.35000  112.70000
   45    48    54    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    49    58    70.00000  112.02700
   48    49    60    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   49    33    37    70.00000  112.02700
   49    58    59    35.00000  117.00000
   49    58    62    70.00000  124.00000
   49    60    61    55.00000  108.50000
   58    62    63    35.00000  120.00000
   58    62    64    70.00000  123.01800
   62    58    59    35.00000  120.00000
   62    64    65    70.00000  123.01800
   62    64    67    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    71    70.00000  124.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    35.00000  109.50000
   65    71    73    35.00000  109.50000
   65    71    74    90.00000  110.39200
   71    65    66    35.00000  117.00000
   71    74    75    55.00000  108.50000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   67    64    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   60    49    58    90.00000  110.39200
   50    48    49    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    48    49    58.35000  112.70000
   54    48    50    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    49    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   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
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    49    48   0.44750  1.0 1.0
   29    33    49    48  -0.17800 -1.0 2.0
   29    33    49    48   0.20200  1.0 3.0
   29    33    49    58   0.56750  1.0 1.0
   29    33    49    58  -0.07550 -1.0 2.0
   29    33    49    58   0.20000  1.0 3.0
   29    33    49    60   0.56750  1.0 1.0
   29    33    49    60  -0.07550 -1.0 2.0
   29    33    49    60   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    45   7.00000 -1.0 2.0
   33    49    58    59   0.00000  1.0 1.0
   33    49    58    62   0.09850  1.0 1.0
   33    49    58    62   0.15250 -1.0 2.0
   33    49    58    62  -0.50650  1.0 3.0
   33    49    60    61  -0.11600  1.0 1.0
   33    49    60    61  -0.09450 -1.0 2.0
   33    49    60    61   0.21250  1.0 3.0
   37    33    49    48   0.34400  1.0 1.0
   37    33    49    48   0.09450 -1.0 2.0
   37    33    49    48   0.11100  1.0 3.0
   37    33    49    58   0.31000  1.0 1.0
   37    33    49    58   0.14700 -1.0 2.0
   37    33    49    58   0.07550  1.0 3.0
   37    33    49    60   1.05650  1.0 1.0
   37    33    49    60   0.15600 -1.0 2.0
   37    33    49    60   0.53150  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    47   0.00000  1.0 1.0
   37    43   -45    48   0.09850  1.0 1.0
   37    43   -45    48   0.15250 -1.0 2.0
   37    43   -45    48  -0.50650  1.0 3.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    45   7.00000 -1.0 2.0
   43    45    48    49   0.34400  1.0 1.0
   43    45    48    49   0.09450 -1.0 2.0
   43    45    48    49   0.11100  1.0 3.0
   43    45    48    50   0.34400  1.0 1.0
   43    45    48    50   0.09450 -1.0 2.0
   43    45    48    50   0.11100  1.0 3.0
   43    45    48    54   0.34400  1.0 1.0
   43    45    48    54   0.09450 -1.0 2.0
   43    45    48    54   0.11100  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.09700  1.0 1.0
   44    43    45    48   0.15600 -1.0 2.0
   44    43    45    48  -0.50800  1.0 3.0
   45    48   -49    33   0.56750  1.0 1.0
   45    48   -49    33  -0.07550 -1.0 2.0
   45    48   -49    33   0.20000  1.0 3.0
   45    48    49    58   0.34400  1.0 1.0
   45    48    49    58   0.09450 -1.0 2.0
   45    48    49    58   0.11100  1.0 3.0
   45    48    49    60   0.86500  1.0 1.0
   45    48    49    60  -0.17500 -1.0 2.0
   45    48    49    60   0.20800  1.0 3.0
   45    48    50    51   0.15000  1.0 3.0
   45    48    50    52   0.15000  1.0 3.0
   45    48    50    53   0.15000  1.0 3.0
   45    48    54    55   0.15000  1.0 3.0
   45    48    54    56   0.15000  1.0 3.0
   45    48    54    57   0.15000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    54   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    54   0.15000  1.0 3.0
   48    49    58    59   0.00000  1.0 1.0
   48    49    58    62   0.09850  1.0 1.0
   48    49    58    62   0.15250 -1.0 2.0
   48    49    58    62  -0.50650  1.0 3.0
   48    49    60    61  -0.11600  1.0 1.0
   48    49    60    61  -0.09450 -1.0 2.0
   48    49    60    61   0.21250  1.0 3.0
   49    33    37    38   0.00000  1.0 1.0
   49    33   -37    43   0.09850  1.0 1.0
   49    33   -37    43   0.15250 -1.0 2.0
   49    33   -37    43  -0.50650  1.0 3.0
   49    33    39    40   0.15000  1.0 3.0
   49    33    39    41   0.15000  1.0 3.0
   49    33    39    42   0.15000  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    54    57   0.15000  1.0 3.0
   49    58    62    63   7.00000 -1.0 2.0
   49    58    62    64   7.00000 -1.0 2.0
   58    49    60    61  -0.07800  1.0 1.0
   58    49    60    61  -0.21500 -1.0 2.0
   58    49    60    61  -0.03150  1.0 3.0
   58    62    64    65   0.28850  1.0 1.0
   58    62    64    65   2.61350 -1.0 2.0
   58    62    64    65   0.78400  1.0 3.0
   58    62    64    67  -0.18600  1.0 3.0
   59    58    62    63   7.00000 -1.0 2.0
   59    58    62    64   7.00000 -1.0 2.0
   62    64    65    66   7.00000 -1.0 2.0
   62    64    65    71   7.00000 -1.0 2.0
   62    64    67    68   0.00000  1.0 1.0
   62    64    67    69   0.00000  1.0 1.0
   62    64    67    70   0.00000  1.0 1.0
   63    62    64    65  -0.18600  1.0 3.0
   63    62    64    67   0.00000  1.0 1.0
   64    65    71    72   0.00000  1.0 1.0
   64    65    71    73   0.00000  1.0 1.0
   64    65    71    74   0.67800  1.0 1.0
   64    65    71    74   0.47050 -1.0 2.0
   64    65    71    74  -0.62500  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    74    75  -0.07800  1.0 1.0
   65    71    74    75  -0.21500 -1.0 2.0
   65    71    74    75  -0.03150  1.0 3.0
   66    65    71    72   0.33100  1.0 3.0
   66    65    71    73   0.33100  1.0 3.0
   66    65    71    74   0.00000  1.0 1.0
   72    71    74    75   0.19450  1.0 3.0
   73    71    74    75   0.19450  1.0 3.0
   67    64    65    66   7.00000 -1.0 2.0
   67    64    65    71   7.00000 -1.0 2.0
   60    49    58    59   0.00000  1.0 1.0
   60    49    58    62   0.67800  1.0 1.0
   60    49    58    62   0.47050 -1.0 2.0
   60    49    58    62  -0.62500  1.0 3.0
   50    48    49    33   0.56750  1.0 1.0
   50    48    49    33  -0.07550 -1.0 2.0
   50    48    49    33   0.20000  1.0 3.0
   50    48    49    58   0.34400  1.0 1.0
   50    48    49    58   0.09450 -1.0 2.0
   50    48    49    58   0.11100  1.0 3.0
   50    48    49    60   0.86500  1.0 1.0
   50    48    49    60  -0.17500 -1.0 2.0
   50    48    49    60   0.20800  1.0 3.0
   50    48    54    55   0.15000  1.0 3.0
   50    48    54    56   0.15000  1.0 3.0
   50    48    54    57   0.15000  1.0 3.0
   54    48    49    33   0.56750  1.0 1.0
   54    48    49    33  -0.07550 -1.0 2.0
   54    48    49    33   0.20000  1.0 3.0
   54    48    49    58   0.34400  1.0 1.0
   54    48    49    58   0.09450 -1.0 2.0
   54    48    49    58   0.11100  1.0 3.0
   54    48    49    60   0.86500  1.0 1.0
   54    48    49    60  -0.17500 -1.0 2.0
   54    48    49    60   0.20800  1.0 3.0
   54    48    50    51   0.15000  1.0 3.0
   54    48    50    52   0.15000  1.0 3.0
   54    48    50    53   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    49    48   0.56750  1.0 1.0
   39    33    49    48  -0.07550 -1.0 2.0
   39    33    49    48   0.20000  1.0 3.0
   39    33    49    58   0.34400  1.0 1.0
   39    33    49    58   0.09450 -1.0 2.0
   39    33    49    58   0.11100  1.0 3.0
   39    33    49    60   0.86500  1.0 1.0
   39    33    49    60  -0.17500 -1.0 2.0
   39    33    49    60   0.20800  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    38    37    43   1.10000 -1.0 2.0
   45    44    43    37   1.10000 -1.0 2.0
   49    59    58    62  15.00000 -1.0 2.0
   64    63    62    58  15.00000 -1.0 2.0
   62    67    64    65  15.00000 -1.0 2.0
   71    66    65    64  15.00000 -1.0 2.0
END
