* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    135    217     408
    1     0 S   NP   _N1_     1    29.66508    93.74842   -25.22119
    2     1 S   H    _HN1     2     1.02977    90.16169    14.51136
    3     1 S   H    _H1_     3     1.02813    16.93136  -166.86651
    4     1 S   H    _H2_     4     1.02769   114.37671   -95.72309
    5     1 S   CT   _CA1     5     1.50182   118.85354   127.90227
    6     5 S   HC   _HA1     6     1.09582   105.19123    75.91214
    7     5 S   CO3  _C1_     7     1.53787   112.45626   -44.06507
    8     7 S   O2Z  _O11     8     1.26352   115.03206   -40.83628
    9     7 S   O2Z  _O12     9     1.26260   114.93819   138.15275
   10     5 S   CT   _CB1    10     1.53028   107.23476  -166.36188
   11    10 S   HC   HB11    11     1.09820   109.05889   -51.69240
   12    10 S   HC   HB12    12     1.09821   110.40209    64.69997
   13    10 S   CT   _CG1    13     1.52989   112.92876  -173.06831
   14    13 S   HC   HG11    14     1.09591   110.23595   -65.65637
   15    13 S   HC   HG12    15     1.09636   110.24375    53.62850
   16    13 S   C    _CD1    16     1.51749   112.06057   173.49947
   17    16 S   O    _OE1    17     1.22712   123.19309   -13.18662
   18    16 S   N    _N2_    18     1.38623   111.94517   168.22694
   19    18 S   H    _HN2    19     1.01564   119.12768     2.81536
   20    18 S   CT1  _CA2    20     1.46052   123.08414  -179.68472
   21    20 S   HC   _HA2    21     1.09528   109.18560     4.64258
   22    20 S   C    _C2_    22     1.53540   109.32889  -110.62614
   23    22 S   O    _O2_    23     1.23094   122.10588  -149.90481
   24    20 S   CT   _CB2    32     1.53374   111.67152   126.83011
   25    24 S   HC   HB21    33     1.09690   109.27348    65.43952
   26    24 S   HC   HB22    34     1.09521   110.95669  -178.04355
   27    22 S   N    _N3_    24     1.38280   113.93078    37.45283
   28    27 S   H    _HN3    25     1.01581   119.59087    -2.72706
   29    24 S   S    _SG2    35     1.83163   115.32608   -53.68418
   30    27 S   CT   _CA3    26     1.45288   123.13459   177.09027
   31    30 S   HC   HA31    27     1.09550   107.45255   -66.25264
   32    30 S   HC   HA32    28     1.09561   108.03754    50.16861
   33    29 S   CT   _C10    36     1.84582   101.46429   -63.20938
   34    33 S   HC   _H3_    37     1.09356   105.33667    57.84414
   35    30 S   CO3  _C3_    29     1.52940   114.16621   172.28116
   36    35 S   O2Z  _O31    30     1.26359   116.09705     1.03154
   37    35 S   O2Z  _O32    31     1.26442   114.39733  -178.89642
   38    33 S   CA   _C9_    38     1.51787   112.64716   -61.40721
   39    33 S   CM   _C11    50     1.51713   108.02031   174.31714
   40    39 S   HC   _H10    51     1.09193   115.55027    47.92542
   41    38 S   CA   _C4_    39     1.40488   119.44763   118.57763
   42    41 S   HA   _H6_    40     1.08769   120.36464    -0.10279
   43    39 S   CMA  _C12    52     1.35638   126.92770  -131.47171
   44    43 S   OM   _O33    53     1.26783   123.48353   178.44934
   45    41 S   CA   _C5_    41     1.39544   120.88340   179.61845
   46    45 S   HA   _H7_    42     1.08640   119.73232  -179.76677
   47    43 S   OS   _O34    54     1.41356   111.28303    -1.64711
   48    45 S   CA   _C6_    43     1.39045   119.57580     0.03956
   49    47 S   CT   _C13    55     1.43956   118.32499  -165.22569
   50    49 S   HC   _H11    56     1.09769   110.29033   -45.86710
   51    48 S   CA   _C7_    44     1.39215   120.70822    -0.11191
   52    51 S   HA   _H8_    45     1.08590   120.99704  -179.86012
   53    48 S   OH   _O40    48     1.36629   118.25156   179.96044
   54    53 S   HO   _H19    49     0.97220   108.51707   179.55325
   55    49 S   CT   _C14    57     1.54031   107.50991  -162.22400
   56    55 S   HC   _H4_    58     1.09624   109.63127   176.06806
   57    38 S   CA   _C8_    46     1.40544   122.07461   -61.95976
   58    57 S   HA   _H9_    47     1.08740   120.45541     0.22642
   59    55 S   CT   _C15    59     1.53337   111.47667   -62.24564
   60    59 S   HC   _H12    60     1.09740   109.44029    65.82474
   61    59 S   HC   _H13    61     1.09820   108.57839  -179.36142
   62    55 S   OH   _O39    75     1.42748   109.19632    59.65316
   63    62 S   HO   _H18    76     0.97185   107.75994  -165.88421
   64    59 S   CT   _C16    62     1.53029   111.75232   -57.79172
   65    64 S   CT   _C17    63     1.54018   111.61453    52.22738
   66    65 S   HC   _H14    64     1.09803   109.53992  -169.90531
   67    65 S   HC   _H15    65     1.09664   109.39645    72.86709
   68    64 S   CO3  _C19    70     1.55322   113.95835   173.73969
   69    68 S   O2Z  _O37    71     1.26707   114.69437   169.79026
   70    68 S   O2Z  _O36    72     1.26259   116.43873    -9.89762
   71    64 S   OH   _O38    73     1.43424   107.74210   -67.88707
   72    71 S   HO   _H17    74     0.97411   106.98471  -175.02760
   73    49 S   CT   _C18    66     1.53795   110.34544    78.05129
   74    73 S   HC   _H5_    67     1.09527   110.77994   -55.67854
   75    73 S   OH   _O35    68     1.42704   109.96549  -173.38939
   76    75 S   HO   _H16    69     0.97254   107.16321    59.88379
  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
  13   6   2   1   1  12   7   3   8   4   6   2   7   3  10   6
  16   8   5   3   2   1  13   7   1   1  14   6   5   3   1  11
  11   6   5   5   2   1   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    57    58    39    40    43    44    47  
   38    41    57    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    52    57    58    39    40    43  
   40    43    44    47    49    41    57  
   43    44    47  
   42    45    46    48    51    57    58    53  
   45    46    48    57  
   44    47    49    50    55    73  
   47    49  
   46    48    51    52    57    53    54  
   48    51    53  
   49    50    55    56    59    65    73    74    75    62  
   51    52    57    58    53    54  
   50    55    56    59    60    61    64    65    66    67    73    74    75    76    62    63  
   55    56    59    65    73    74    75    62  
   52    57    58    53    54  
   57    58    53  
   54    57  
    0  
   56    59    60    61    64    65    73    74    75    68    71    62    63  
   59    60    61    64    73    62    63  
   58  
    0  
   60    61    64    65    66    67    73    68    69    70    71    72    62    63  
   61    64    65    68    71    62  
   64    65    68    71    62  
   63    64    73  
    0  
   65    66    67    73    74    75    68    69    70    71    72  
   66    67    73    74    75    76    68    69    70    71    72  
   67    73    74    75    68    71  
   73    74    75    68    71  
   69    70    71    72    73  
   70    71  
   71  
   72    73  
    0  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   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    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    39   317.000  1.510
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    53   450.000  1.364
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   367.000  1.080
   53    54   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    73   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   268.000  1.529
   64    68   317.000  1.522
   64    71   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    75   320.000  1.410
   75    76   553.000  0.945
   68    69   656.000  1.250
   68    70   656.000  1.250
   71    72   553.000  0.945
   62    63   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    51    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    53    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    57    63.00000  120.00000
   48    53    54    35.00000  113.00000
   51    57    58    35.00000  120.00000
   57    38    41    63.00000  120.00000
   57    51    52    35.00000  120.00000
   53    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    55    50.00000  109.50000
   47    49    73    50.00000  109.50000
   49    55    56    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    55    62    50.00000  109.50000
   49    73    65    58.35000  112.70000
   49    73    74    37.50000  110.70000
   49    73    75    50.00000  109.50000
   55    49    50    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    64    58.35000  112.70000
   55    62    63    55.00000  108.50000
   59    55    56    37.50000  110.70000
   59    64    65    58.35000  112.70000
   59    64    68    70.00000  109.69300
   59    64    71    50.00000  109.50000
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    65    66    37.50000  110.70000
   64    65    67    37.50000  110.70000
   64    65    73    58.35000  112.70000
   64    68    69    70.00000  117.00000
   64    68    70    70.00000  117.00000
   64    71    72    55.00000  108.50000
   65    73    74    37.50000  110.70000
   65    73    75    50.00000  109.50000
   67    65    66    33.00000  107.80000
   73    49    50    37.50000  110.70000
   73    49    55    58.35000  112.70000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   73    75    76    55.00000  108.50000
   75    73    74    35.00000  109.50000
   68    64    65    70.00000  109.69300
   70    68    69    80.00000  126.00000
   71    64    65    50.00000  109.50000
   71    64    68    95.00000  109.52300
   62    55    56    35.00000  109.50000
   62    55    59    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    57    51   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    57    51   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    53   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    52   3.62500 -1.0 2.0
   45    48    51    57   3.62500 -1.0 2.0
   45    48    53    54   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    53   3.62500 -1.0 2.0
   48    51   -57    38   3.62500 -1.0 2.0
   48    51    57    58   3.62500 -1.0 2.0
   51    48    53    54   0.84100 -1.0 2.0
   52    51    57    38   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   53    48    51    52   3.62500 -1.0 2.0
   53    48    51    57   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    57   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    55  -0.46850  1.0 1.0
   43    47    49    55   0.09300 -1.0 2.0
   43    47    49    55  -0.12850  1.0 3.0
   43    47    49    73  -0.46850  1.0 1.0
   43    47    49    73   0.09300 -1.0 2.0
   43    47    49    73  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    55    56   0.23400  1.0 3.0
   47    49    55    59   0.62750  1.0 1.0
   47    49    55    59  -0.30950 -1.0 2.0
   47    49    55    59   0.27300  1.0 3.0
   47    49    55    62   3.69350  1.0 1.0
   47    49    55    62  -1.82950 -1.0 2.0
   47    49    73    65   0.62750  1.0 1.0
   47    49    73    65  -0.30950 -1.0 2.0
   47    49    73    65   0.27300  1.0 3.0
   47    49    73    74   0.23400  1.0 3.0
   47    49    73    75   3.69350  1.0 1.0
   47    49    73    75  -1.82950 -1.0 2.0
   49    55    59    60   0.15000  1.0 3.0
   49    55    59    61   0.15000  1.0 3.0
   49    55    59    64   0.56750  1.0 1.0
   49    55    59    64  -0.07550 -1.0 2.0
   49    55    59    64   0.20000  1.0 3.0
   49    55    62    63  -0.11600  1.0 1.0
   49    55    62    63  -0.09450 -1.0 2.0
   49    55    62    63   0.21250  1.0 3.0
   49    73    75    76  -0.11600  1.0 1.0
   49    73    75    76  -0.09450 -1.0 2.0
   49    73    75    76   0.21250  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    59   0.15000  1.0 3.0
   50    49    55    62   0.23400  1.0 3.0
   50    49    73    65   0.15000  1.0 3.0
   50    49    73    74   0.15000  1.0 3.0
   50    49    73    75   0.23400  1.0 3.0
   55    49    73    65   0.56750  1.0 1.0
   55    49    73    65  -0.07550 -1.0 2.0
   55    49    73    65   0.20000  1.0 3.0
   55    49    73    74   0.15000  1.0 3.0
   55    49    73    75   0.86500  1.0 1.0
   55    49    73    75  -0.17500 -1.0 2.0
   55    49    73    75   0.20800  1.0 3.0
   55    59   -64    65   0.56750  1.0 1.0
   55    59   -64    65  -0.07550 -1.0 2.0
   55    59   -64    65   0.20000  1.0 3.0
   55    59    64    68  -1.63150  1.0 1.0
   55    59    64    68  -0.43550 -1.0 2.0
   55    59    64    68   0.24500  1.0 3.0
   55    59    64    71   0.86500  1.0 1.0
   55    59    64    71  -0.17500 -1.0 2.0
   55    59    64    71   0.20800  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    64   0.15000  1.0 3.0
   56    55    62    63   0.19450  1.0 3.0
   59    55    62    63  -0.11600  1.0 1.0
   59    55    62    63  -0.09450 -1.0 2.0
   59    55    62    63   0.21250  1.0 3.0
   59    64    65    66   0.15000  1.0 3.0
   59    64    65    67   0.15000  1.0 3.0
   59    64    65    73   0.56750  1.0 1.0
   59    64    65    73  -0.07550 -1.0 2.0
   59    64    65    73   0.20000  1.0 3.0
   59    64    68    69   0.41150 -1.0 2.0
   59    64    68    70   0.41150 -1.0 2.0
   59    64    71    72  -0.11600  1.0 1.0
   59    64    71    72  -0.09450 -1.0 2.0
   59    64    71    72   0.21250  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    68  -0.11250  1.0 3.0
   60    59    64    71   0.23400  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    68  -0.11250  1.0 3.0
   61    59    64    71   0.23400  1.0 3.0
   64    65   -73    49   0.56750  1.0 1.0
   64    65   -73    49  -0.07550 -1.0 2.0
   64    65   -73    49   0.20000  1.0 3.0
   64    65    73    74   0.15000  1.0 3.0
   64    65    73    75   0.86500  1.0 1.0
   64    65    73    75  -0.17500 -1.0 2.0
   64    65    73    75   0.20800  1.0 3.0
   65    64    68    69   0.41150 -1.0 2.0
   65    64    68    70   0.41150 -1.0 2.0
   65    64    71    72  -0.11600  1.0 1.0
   65    64    71    72  -0.09450 -1.0 2.0
   65    64    71    72   0.21250  1.0 3.0
   65    73    75    76  -0.11600  1.0 1.0
   65    73    75    76  -0.09450 -1.0 2.0
   65    73    75    76   0.21250  1.0 3.0
   66    65    73    49   0.15000  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    75   0.23400  1.0 3.0
   67    65    73    49   0.15000  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    75   0.23400  1.0 3.0
   73    49    55    56   0.15000  1.0 3.0
   73    49   -55    59   0.56750  1.0 1.0
   73    49   -55    59  -0.07550 -1.0 2.0
   73    49   -55    59   0.20000  1.0 3.0
   73    49    55    62   0.86500  1.0 1.0
   73    49    55    62  -0.17500 -1.0 2.0
   73    49    55    62   0.20800  1.0 3.0
   74    73    75    76   0.19450  1.0 3.0
   68    64    65    66  -0.11250  1.0 3.0
   68    64    65    67  -0.11250  1.0 3.0
   68    64    65    73  -1.63150  1.0 1.0
   68    64    65    73  -0.43550 -1.0 2.0
   68    64    65    73   0.24500  1.0 3.0
   68    64    71    72   0.91850  1.0 1.0
   68    64    71    72   0.57950  1.0 3.0
   71    64    65    66   0.23400  1.0 3.0
   71    64    65    67   0.23400  1.0 3.0
   71    64    65    73   0.86500  1.0 1.0
   71    64    65    73  -0.17500 -1.0 2.0
   71    64    65    73   0.20800  1.0 3.0
   71    64    68    69   0.30150 -1.0 2.0
   71    64    68    70   0.30150 -1.0 2.0
   62    55    59    60   0.23400  1.0 3.0
   62    55    59    61   0.23400  1.0 3.0
   62    55    59    64   0.86500  1.0 1.0
   62    55    59    64  -0.17500 -1.0 2.0
   62    55    59    64   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
   36    30    35    37  10.50000 -1.0 2.0
   41    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    53    48    45   4.00000 -1.0 2.0
   57    52    51    48   1.10000 -1.0 2.0
   51    58    57    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   69    64    68    70  10.50000 -1.0 2.0
END
