* LIGAND DATABASE FILE (OPLS2005)
*
001      75    79    147    241     432
    1     0 S   NP   _N1_     1    28.87666    93.35172   -21.04961
    2     1 S   H    _HN1     2     1.02981    32.41657   116.94128
    3     1 S   H    _H1_     3     1.02807    79.73869   -93.33420
    4     1 S   H    _H2_     4     1.02853   101.79717    13.29583
    5     1 S   CT   _CA1     5     1.50506   137.73567   155.04196
    6     5 S   HC   _HA1     6     1.09652   104.72820    43.69312
    7     5 S   CO3  _C1_     7     1.54588   111.20599   -72.46551
    8     7 S   O2Z  _O11     8     1.26118   116.87216  -129.02807
    9     7 S   O2Z  _O12     9     1.26537   114.09668    50.20402
   10     5 S   CT   _CB1    10     1.53120   107.04625   160.29897
   11    10 S   HC   HB11    11     1.09823   110.47362   -39.21986
   12    10 S   HC   HB12    12     1.09818   109.57510    77.28655
   13    10 S   CT   _CG1    13     1.53204   112.47599  -159.92486
   14    13 S   HC   HG11    14     1.09503   110.89184   -43.26297
   15    13 S   HC   HG12    15     1.09607   110.10867    75.45505
   16    13 S   C    _CD1    16     1.51729   111.49563  -164.49301
   17    16 S   O    _OE1    17     1.22771   122.88695   -22.59364
   18    16 S   N    _N2_    18     1.38546   112.01380   157.70232
   19    18 S   H    _HN2    19     1.01554   119.26410     4.18259
   20    18 S   CT1  _CA2    20     1.46232   123.20021  -173.04641
   21    20 S   HC   _HA2    21     1.09723   109.42014   -12.12961
   22    20 S   C    _C2_    22     1.53289   108.52813  -128.19244
   23    22 S   O    _O2_    23     1.23004   122.27984  -144.96843
   24    20 S   CT   _CB2    32     1.53585   111.04176   109.51135
   25    24 S   HC   HB21    33     1.09594   109.56911    58.12768
   26    24 S   HC   HB22    34     1.09479   110.40471   177.06922
   27    22 S   N    _N3_    24     1.38523   113.32226    42.35508
   28    27 S   H    _HN3    25     1.01529   118.91331    -0.42521
   29    24 S   S    _SG2    35     1.82944   111.56257   -62.49380
   30    27 S   CT   _CA3    26     1.45443   123.35357   175.11934
   31    30 S   HC   HA31    27     1.09530   109.12521    26.52138
   32    30 S   HC   HA32    28     1.09493   107.15020   143.50703
   33    29 S   CT   _C20    36     1.84503    99.96771   168.56649
   34    33 S   HC   _H5_    37     1.09866   105.99063   -32.29715
   35    30 S   CO3  _C3_    29     1.52933   113.19158   -96.87723
   36    35 S   O2Z  _O31    30     1.26396   115.43427   -43.93390
   37    35 S   O2Z  _O32    31     1.26361   114.96356   137.01020
   38    33 S   CM   _C19    38     1.51121   109.87696    81.66701
   39    38 S   HC   _H18    39     1.08851   118.57237   -27.46946
   40    38 S   CMA  _C18    40     1.34963   123.00554   154.87517
   41    40 S   OM   _O33    41     1.25909   130.90815   178.42480
   42    40 S   CM   _C17    42     1.46105   117.71367     0.46646
   43    42 S   HC   _H17    43     1.08901   119.21150   165.55154
   44    42 S   CM   _C16    44     1.34321   122.58345   -15.28764
   45    44 S   HC   _H16    45     1.08667   118.45202  -178.41390
   46    33 S   CT   _C15    46     1.56877   113.90838  -149.81023
   47    46 S   CA   _C11    47     1.51816   117.78737   -37.46954
   48    46 S   CT   _C14    69     1.58283   109.44733    74.97356
   49    48 S   HC   _H14    70     1.09646   111.99798    81.80001
   50    48 S   HC   _H15    71     1.09868   110.72190   -37.46714
   51    47 S   CR3  _C12    48     1.39842   110.31468   134.46590
   52    51 S   CA   _C7_    49     1.39413   124.04410  -172.39117
   53    52 S   CA   _C8_    50     1.39645   117.68963    -4.88439
   54    53 S   HA   _H13    51     1.08474   121.27967   179.24593
   55    52 S   CT   _C6_    59     1.50486   118.71645   168.53083
   56    55 S   HC   _H11    60     1.09612   109.74376   137.45760
   57    55 S   HC   _H12    61     1.09740   107.55180  -106.07783
   58    53 S   CA   _C9_    52     1.39162   118.02186     0.72416
   59    55 S   CT   _C5_    62     1.54141   114.76676    14.58621
   60    59 S   HC   _H9_    63     1.09654   111.19471    78.23526
   61    59 S   HC   _H10    64     1.09518   110.42648  -160.44232
   62    47 S   CA   _C10    53     1.37010   132.80508   -43.70500
   63    59 S   NP   _N4_    65     1.52621   111.32735   -40.82234
   64    63 S   H    _H3_    66     1.03550   106.84587   -55.67147
   65    62 S   OS   _O34    54     1.35630   127.53850    -3.71215
   66    51 S   CT   _C13    67     1.49026   111.83822     5.67388
   67    66 S   HC   _H4_    68     1.09748   110.40984    91.99770
   68    63 S   CT   _C4_    72     1.49922   111.91595  -172.20578
   69    68 S   HC   _H6_    73     1.09315   108.72446   -63.57851
   70    68 S   HC   _H7_    74     1.09318   108.03121    56.90917
   71    68 S   HC   _H8_    75     1.09256   108.31085   175.59651
   72    65 S   CO   _C21    55     1.43984   101.27304   179.09172
   73    72 S   HC   _H19    56     1.09602   108.66665  -121.49456
   74    72 S   HC   _H20    57     1.09608   108.71517   120.36359
   75    58 S   OS   _O35    58     1.36381   124.98078   179.87489
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   7   2   1   1   9   4   6   3   6   3   9   3  12  15  11
   5   4  15  14  11   4  10   5   4   6  10   5   4   6   7   6
   4   5   1   3   2   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    51    62    66    48    49    50  
   38    39    40    44    46    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47    48  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    51    62    66    48    49    50  
   46    47    48  
   47    51    52    58    62    65    63    66    67    48    49    50  
   51    52    53    58    62    65    72    75    55    63    66    67    48    49    50  
   49    50    68    51    52    59    62    63    64    66    67  
   50    51    63    66    67  
   51    63    66    67  
   52    53    54    58    62    65    55    56    57    59    63    64    66    67    68  
   53    54    58    62    75    55    56    57    59    60    61    63    66    67  
   54    58    62    65    72    75    55    56    57    59    66  
   58    62    75    55  
   56    57    59    60    61    63    64    66    68    58  
   57    59    60    61    63  
   59    60    61    63  
   62    65    72    73    74    75  
   60    61    63    64    66    67    68    69    70    71  
   61    63    64    66    68  
   63    64    66    68  
   65    72    73    74    75    66  
   64    66    67    68    69    70    71  
   66    67    68    69    70    71  
   72    73    74    75  
   67    68    69    70    71  
   68  
   69    70    71  
   70    71  
   71  
    0  
   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   0.107500   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   64   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    46   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   317.000  1.510
   46    48   268.000  1.529
   47    51   490.000  1.398
   47    62   469.000  1.400
   51    52   490.000  1.398
   51    66   317.000  1.510
   52    53   469.000  1.400
   52    55   317.000  1.510
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    62   469.000  1.400
   58    75   450.000  1.364
   62    65   450.000  1.364
   65    72   320.000  1.380
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   320.000  1.380
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   367.000  1.471
   63    64   434.000  1.010
   63    66   367.000  1.471
   63    68   367.000  1.471
   66    67   340.000  1.090
   66    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    70.00000  112.02700
   33    46    47    70.00000  112.17500
   33    46    48    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    35.00000  120.00000
   42    44    46    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    46    47    70.00000  112.99600
   44    46    48    70.00000  112.02700
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    44    45    35.00000  117.00000
   46    47    51    80.00000  105.07000
   46    47    62    70.00000  120.00000
   46    48    66    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   47    51    52    60.00000  130.80000
   47    51    66    70.00000  120.00000
   47    62    58    63.00000  120.00000
   47    62    65    70.00000  120.00000
   51    52    53    70.00000  112.88000
   51    52    55    80.00000  105.07000
   51    66    63    75.00000  110.83300
   51    66    67    35.00000  109.50000
   51    66    48    70.00000  112.17500
   52    53    54    35.00000  120.00000
   52    53    58    63.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    59    70.00000  112.17500
   53    58    62    63.00000  120.00000
   53    58    75    70.00000  120.00000
   58    53    54    35.00000  120.00000
   58    62    65    70.00000  120.00000
   58    75    72   100.00000  112.36700
   62    47    51    70.00000  112.88000
   62    65    72   100.00000  112.36700
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    92.60000  111.55000
   74    72    73    33.00000  109.50000
   75    58    62    70.00000  120.00000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   55    52    53    70.00000  120.00000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    63    80.00000  111.20000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    63    64    35.00000  109.50000
   59    63    66    75.00000  113.01200
   59    63    68    75.00000  113.01200
   61    59    60    33.00000  107.80000
   63    59    60    35.00000  109.50000
   63    59    61    35.00000  109.50000
   63    66    67    35.00000  109.50000
   63    66    48    80.00000  111.20000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   66    51    52    70.00000  120.00000
   66    63    64    35.00000  109.50000
   66    48    49    37.50000  110.70000
   66    48    50    37.50000  110.70000
   48    46    47    70.00000  112.17500
   48    66    67    37.50000  110.70000
   50    48    49    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    66    75.00000  113.01200
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.56750  1.0 1.0
   29    33    46    47  -0.07550 -1.0 2.0
   29    33    46    47   0.20000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    47    51   0.04150 -1.0 2.0
   33    46    47    62   0.04150 -1.0 2.0
   33    46    48    66   0.56750  1.0 1.0
   33    46    48    66  -0.07550 -1.0 2.0
   33    46    48    66   0.20000  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.15000  1.0 3.0
   34    33    46    47   0.43200  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33    46    44   0.31000  1.0 1.0
   38    33    46    44   0.14700 -1.0 2.0
   38    33    46    44   0.07550  1.0 3.0
   38    33    46    47   0.21200  1.0 1.0
   38    33    46    47   0.16900 -1.0 2.0
   38    33    46    47  -1.15100  1.0 3.0
   38    33    46    48   0.34400  1.0 1.0
   38    33    46    48   0.09450 -1.0 2.0
   38    33    46    48   0.11100  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    46   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44   -46    33   0.09850  1.0 1.0
   42    44   -46    33   0.15250 -1.0 2.0
   42    44   -46    33  -0.50650  1.0 3.0
   42    44    46    47   1.44450  1.0 1.0
   42    44    46    47   0.06600 -1.0 2.0
   42    44    46    47   0.29250  1.0 3.0
   42    44    46    48   0.09850  1.0 1.0
   42    44    46    48   0.15250 -1.0 2.0
   42    44    46    48  -0.50650  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    51   0.18050 -1.0 2.0
   44    46    47    62   0.18050 -1.0 2.0
   44    46    48    66   0.34400  1.0 1.0
   44    46    48    66   0.09450 -1.0 2.0
   44    46    48    66   0.11100  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   45    44    46    33   0.00000  1.0 1.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   0.00000  1.0 1.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    47    51    52   3.62500 -1.0 2.0
   46    47   -51    66   3.62500 -1.0 2.0
   46    47    62    58   3.62500 -1.0 2.0
   46    47    62    65   3.62500 -1.0 2.0
   47    46   -48    66  -0.03700  1.0 1.0
   47    46   -48    66   0.37200 -1.0 2.0
   47    46   -48    66  -0.47300  1.0 3.0
   47    46    48    49   0.43200  1.0 3.0
   47    46    48    50   0.43200  1.0 3.0
   47    51    52    53   3.62500 -1.0 2.0
   47    51    52    55   3.62500 -1.0 2.0
   47    51    66    63  -0.46400 -1.0 2.0
   47    51    66    67   0.00000  1.0 1.0
   47    51   -66    48   0.04150 -1.0 2.0
   47    62    65    72   1.63200 -1.0 2.0
   51    47    62    58   3.62500 -1.0 2.0
   51    47    62    65   3.62500 -1.0 2.0
   51    52    53    54   3.62500 -1.0 2.0
   51    52   -53    58   3.62500 -1.0 2.0
   51    52    55    56   0.00000  1.0 1.0
   51    52    55    57   0.00000  1.0 1.0
   51    52    55    59   0.04150 -1.0 2.0
   51    66   -48    46  -0.03700  1.0 1.0
   51    66   -48    46   0.37200 -1.0 2.0
   51    66   -48    46  -0.47300  1.0 3.0
   51    66    48    49   0.43200  1.0 3.0
   51    66    48    50   0.43200  1.0 3.0
   52    51    66    63  -0.46400 -1.0 2.0
   52    51    66    67   0.00000  1.0 1.0
   52    51    66    48   0.04150 -1.0 2.0
   52    53    58    62   3.62500 -1.0 2.0
   52    53    58    75   3.62500 -1.0 2.0
   52    55    59    60   0.43200  1.0 3.0
   52    55    59    61   0.43200  1.0 3.0
   52    55   -59    63   1.24050  1.0 1.0
   52    55   -59    63   0.48100 -1.0 2.0
   52    55   -59    63   1.08150  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    55    59   0.04150 -1.0 2.0
   53    58   -62    47   3.62500 -1.0 2.0
   53    58    62    65   3.62500 -1.0 2.0
   53    58    75    72   1.63200 -1.0 2.0
   54    53    58    62   3.62500 -1.0 2.0
   54    53    58    75   3.62500 -1.0 2.0
   58    62   -65    72   1.63200 -1.0 2.0
   62    47   -51    52   3.62500 -1.0 2.0
   62    47    51    66   3.62500 -1.0 2.0
   62    58   -75    72   1.63200 -1.0 2.0
   62    65    72    73   0.08050  1.0 3.0
   62    65    72    74   0.08050  1.0 3.0
   62    65   -72    75  -0.25600  1.0 1.0
   62    65   -72    75  -0.40050 -1.0 2.0
   62    65   -72    75   0.34700  1.0 3.0
   65    72   -75    58  -0.25600  1.0 1.0
   65    72   -75    58  -0.40050 -1.0 2.0
   65    72   -75    58   0.34700  1.0 3.0
   73    72    75    58   0.08050  1.0 3.0
   74    72    75    58   0.08050  1.0 3.0
   75    58    62    47   3.62500 -1.0 2.0
   75    58   -62    65   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    58   3.62500 -1.0 2.0
   55    59    63    64   0.17350  1.0 3.0
   55    59    63    66   0.47100  1.0 1.0
   55    59    63    68   0.47100  1.0 1.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    63   0.19200  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    63   0.19200  1.0 3.0
   59    63   -66    51   0.03550  1.0 1.0
   59    63   -66    51   0.09800 -1.0 2.0
   59    63    66    67   0.15000  1.0 3.0
   59    63    66    48   0.47100  1.0 1.0
   59    63    68    69   0.15000  1.0 3.0
   59    63    68    70   0.15000  1.0 3.0
   59    63    68    71   0.15000  1.0 3.0
   60    59    63    64   0.13050  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    59    63    68   0.15000  1.0 3.0
   61    59    63    64   0.13050  1.0 3.0
   61    59    63    66   0.15000  1.0 3.0
   61    59    63    68   0.15000  1.0 3.0
   63    66    48    46   1.36600  1.0 1.0
   63    66    48    46  -0.11450 -1.0 2.0
   63    66    48    46   0.24250  1.0 3.0
   63    66    48    49   0.19200  1.0 3.0
   63    66    48    50   0.19200  1.0 3.0
   64    63    66    51   0.17350  1.0 3.0
   64    63    66    67   0.13050  1.0 3.0
   64    63    66    48   0.17350  1.0 3.0
   64    63    68    69   0.13050  1.0 3.0
   64    63    68    70   0.13050  1.0 3.0
   64    63    68    71   0.13050  1.0 3.0
   66    51    52    53   3.62500 -1.0 2.0
   66    51   -52    55   3.62500 -1.0 2.0
   66    63    68    69   0.15000  1.0 3.0
   66    63    68    70   0.15000  1.0 3.0
   66    63    68    71   0.15000  1.0 3.0
   67    66    48    46   0.15000  1.0 3.0
   67    66    48    49   0.15000  1.0 3.0
   67    66    48    50   0.15000  1.0 3.0
   48    46   -47    51   0.04150 -1.0 2.0
   48    46    47    62   0.04150 -1.0 2.0
   68    63    66    51   0.03550  1.0 1.0
   68    63    66    51   0.09800 -1.0 2.0
   68    63    66    67   0.15000  1.0 3.0
   68    63    66    48   0.47100  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   51    62    47    46   4.00000 -1.0 2.0
   52    66    51    47   4.00000 -1.0 2.0
   53    55    52    51   4.00000 -1.0 2.0
   58    54    53    52   1.10000 -1.0 2.0
   62    75    58    53   4.00000 -1.0 2.0
   58    65    62    47   4.00000 -1.0 2.0
END
