* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    147    235     440
    1     0 S   NP   _N1_     1    28.82632    95.10589   -21.47249
    2     1 S   H    _HN1     2     1.02780    95.00954   -92.14267
    3     1 S   H    _H1_     3     1.02948    81.27863    15.73809
    4     1 S   H    _H2_     4     1.02830    34.81549   153.37413
    5     1 S   CT   _CA1     5     1.50142   143.59258   128.44375
    6     5 S   HC   _HA1     6     1.09567   105.16618    74.12631
    7     5 S   CO3  _C1_     7     1.53799   112.52354   -46.04724
    8     7 S   O2Z  _O11     8     1.26377   114.98740   -38.42505
    9     7 S   O2Z  _O12     9     1.26237   114.99928   140.72079
   10     5 S   CT   _CB1    10     1.53097   107.42077  -167.79447
   11    10 S   HC   HB11    11     1.09826   109.41141   -48.22036
   12    10 S   HC   HB12    12     1.09820   110.39761    68.43035
   13    10 S   CT   _CG1    13     1.52987   112.65477  -169.19888
   14    13 S   HC   HG11    14     1.09570   110.52757   -65.36969
   15    13 S   HC   HG12    15     1.09664   109.87397    53.85219
   16    13 S   C    _CD1    16     1.51831   112.32199   174.27169
   17    16 S   O    _OE1    17     1.22722   123.28923     3.87378
   18    16 S   N    _N2_    18     1.38623   111.60124  -176.32933
   19    18 S   H    _HN2    19     1.01583   118.93595     1.76070
   20    18 S   CT1  _CA2    20     1.46342   123.52806   179.89913
   21    20 S   HC   _HA2    21     1.09732   109.39850    -4.33675
   22    20 S   C    _C2_    22     1.53399   108.52727  -119.92585
   23    22 S   O    _O2_    23     1.23036   122.35961  -148.23857
   24    20 S   CT   _CB2    32     1.53343   111.17352   117.68475
   25    24 S   HC   HB21    33     1.09572   109.57529    56.10069
   26    24 S   HC   HB22    34     1.09492   110.98761   174.90526
   27    22 S   N    _N3_    24     1.38361   113.53127    39.26571
   28    27 S   H    _HN3    25     1.01625   119.49279    -3.59951
   29    24 S   S    _SG2    35     1.82574   110.97614   -65.48825
   30    27 S   CT   _CA3    26     1.45286   123.17396   176.98435
   31    30 S   HC   HA31    27     1.09551   107.52377   -63.95899
   32    30 S   HC   HA32    28     1.09557   107.95522    52.45759
   33    29 S   CT   _C18    36     1.81915    99.39026   148.40842
   34    33 S   HC   _H3_    37     1.09512   110.34316   -43.42715
   35    33 S   HC   _H4_    38     1.09441   108.33533    73.90300
   36    30 S   CO3  _C3_    29     1.52945   114.11486   174.43827
   37    36 S   O2Z  _O31    30     1.26370   116.05989    -0.88581
   38    36 S   O2Z  _O32    31     1.26429   114.41352   179.17694
   39    33 S   CM   _C4_    39     1.49506   109.87556  -163.65807
   40    39 S   CMA  _C5_    40     1.35595   128.64978  -103.92200
   41    40 S   OM   _O16    41     1.26282   128.21594     2.11711
   42    40 S   OS   _O17    42     1.44237   109.14522  -176.54243
   43    42 S   CT   _C13    43     1.43099   102.75403   -22.73366
   44    43 S   HC   _H32    44     1.09913   106.19815   -78.39817
   45    39 S   CT   _C11    45     1.49171   121.82962    84.13869
   46    45 S   HC   _H30    46     1.10117   105.95317    85.56431
   47    45 S   CT   _C7_    47     1.52207   123.58673   -39.25504
   48    47 S   HC   _H22    48     1.09619   110.21527    65.78328
   49    47 S   HC   _H23    49     1.09530   111.37187   -52.56311
   50    47 S   CT   _C9_    50     1.54103   108.99868  -174.38857
   51    50 S   HC   _H26    51     1.09636   109.14439   178.76647
   52    50 S   HC   _H27    52     1.09843   108.23196   -66.28496
   53    50 S   CT   _C14    53     1.56442   113.46161    55.11960
   54    53 S   CT   _C8_    54     1.54713   109.32376  -171.61201
   55    54 S   HC   _H24    55     1.09817   109.54825    51.44087
   56    54 S   HC   _H25    56     1.09728   110.33141   -65.14846
   57    53 S   CT   _C16    72     1.54897   106.74674    71.29677
   58    57 S   HC   _H33    73     1.09235   113.11765   -68.00071
   59    57 S   HC   _H34    74     1.08920   113.28216   169.46120
   60    57 S   HC   _H35    75     1.09697   110.31254    51.34005
   61    54 S   CT   _C6_    57     1.53036   112.94372   172.25988
   62    61 S   HC   _H20    58     1.09466   110.77844    67.24467
   63    61 S   HC   _H21    59     1.09667   108.89215  -176.54747
   64    61 S   CT   _C10    60     1.52468   111.96749   -55.96903
   65    64 S   HC   _H28    61     1.09759   109.63989   177.77024
   66    64 S   HC   _H29    62     1.09924   108.40876   -68.27652
   67    64 S   CT   _C15    63     1.54207   114.42239    53.45056
   68    43 S   CT   _C12    64     1.53979   116.81143   159.51161
   69    68 S   HC   _H31    65     1.10385   104.85028   -65.73810
   70    67 S   CT   _C17    66     1.53097   111.82845    80.32237
   71    70 S   HC   _H36    67     1.09482   111.37710   179.35381
   72    70 S   HC   _H37    68     1.09716   110.39425    62.41822
   73    70 S   HC   _H38    69     1.08862   113.59209   -57.56474
   74    67 S   OH   _O18    70     1.44066   106.00612  -164.76504
   75    74 S   HO   _H41    71     0.97212   108.23992   -60.15864
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  16   7  11   5   9   5
   4  14   5   4  16  15   7   6   7   3   2   1   9   5   4  11
   5   4   8   7   2   5   3   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    47  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49    50    68  
   41    42    43    44    45    46    47    68  
   42    43    45  
   43    44    45    46    47    53    67    68    69  
   44    45    46    47    48    49    50    53    54    64    67    68    69    70    74    57  
   45    46    47    53    67    68    69  
   46    47    48    49    50    51    52    53    67    68    69  
   47    48    49    50    68  
   48    49    50    51    52    53    54    68    57  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53    54    55    56    61    67    68    69    57    58    59    60  
   52    53    54    68    57  
   53    54    68    57  
   54    55    56    61    62    63    64    67    68    69    70    74    57    58    59    60  
   55    56    61    62    63    64    65    66    67    68    69    57    58    59    60  
   56    61    62    63    64    68    57  
   61    62    63    64    68    57  
   58    59    60    61    67    68    69  
   59    60    68  
   60    68  
   68  
   62    63    64    65    66    67    68    70    74  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    71    72    73    74    75  
   66    67    68    70    74  
   67    68    70    74  
   68    69    70    71    72    73    74    75  
   69    70    71    72    73    74    75  
   70    74  
   71    72    73    74    75  
   72    73    74  
   73    74  
   74  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    68   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   268.000  1.529
   53    68   268.000  1.529
   53    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   268.000  1.529
   67    70   268.000  1.529
   67    74   320.000  1.410
   68    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    47    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    68    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    58.35000  112.70000
   43    68    53    58.35000  112.70000
   43    68    67    58.35000  112.70000
   43    68    69    37.50000  110.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    50    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    58.35000  112.70000
   50    53    68    58.35000  112.70000
   50    53    57    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    56    37.50000  110.70000
   53    54    61    58.35000  112.70000
   53    68    67    58.35000  112.70000
   53    68    69    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    58.35000  112.70000
   64    67    70    58.35000  112.70000
   64    67    74    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   67    74    75    55.00000  108.50000
   68    43    44    37.50000  110.70000
   68    43    45    58.35000  112.70000
   68    53    54    58.35000  112.70000
   70    67    68    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    67    68    50.00000  109.50000
   74    67    70    50.00000  109.50000
   57    53    54    58.35000  112.70000
   57    53    68    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    47   0.46850  1.0 1.0
   33    39    45    47   0.08550 -1.0 2.0
   33    39    45    47   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    47    48   0.15000  1.0 3.0
   39    45    47    49   0.15000  1.0 3.0
   39    45    47    50   0.34400  1.0 1.0
   39    45    47    50   0.09450 -1.0 2.0
   39    45    47    50   0.11100  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    47   0.09850  1.0 1.0
   40    39    45    47   0.15250 -1.0 2.0
   40    39    45    47  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    68  -0.46850  1.0 1.0
   40    42    43    68   0.09300 -1.0 2.0
   40    42    43    68  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.62750  1.0 1.0
   42    43    45    47  -0.30950 -1.0 2.0
   42    43    45    47   0.27300  1.0 3.0
   42    43    68    53   0.62750  1.0 1.0
   42    43    68    53  -0.30950 -1.0 2.0
   42    43    68    53   0.27300  1.0 3.0
   42    43    68    67   0.62750  1.0 1.0
   42    43    68    67  -0.30950 -1.0 2.0
   42    43    68    67   0.27300  1.0 3.0
   42    43    68    69   0.23400  1.0 3.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    49   0.15000  1.0 3.0
   43    45    47    50   0.56750  1.0 1.0
   43    45    47    50  -0.07550 -1.0 2.0
   43    45    47    50   0.20000  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    68    53   0.15000  1.0 3.0
   44    43    68    67   0.15000  1.0 3.0
   44    43    68    69   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    68    53   0.56750  1.0 1.0
   45    43    68    53  -0.07550 -1.0 2.0
   45    43    68    53   0.20000  1.0 3.0
   45    43    68    67   0.56750  1.0 1.0
   45    43    68    67  -0.07550 -1.0 2.0
   45    43    68    67   0.20000  1.0 3.0
   45    43    68    69   0.15000  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    52   0.15000  1.0 3.0
   45    47   -50    53   0.56750  1.0 1.0
   45    47   -50    53  -0.07550 -1.0 2.0
   45    47   -50    53   0.20000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   47    50    53    54   0.56750  1.0 1.0
   47    50    53    54  -0.07550 -1.0 2.0
   47    50    53    54   0.20000  1.0 3.0
   47    50    53    68   0.56750  1.0 1.0
   47    50    53    68  -0.07550 -1.0 2.0
   47    50    53    68   0.20000  1.0 3.0
   47    50    53    57   0.56750  1.0 1.0
   47    50    53    57  -0.07550 -1.0 2.0
   47    50    53    57   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    53    54    55   0.15000  1.0 3.0
   50    53    54    56   0.15000  1.0 3.0
   50    53    54    61   0.56750  1.0 1.0
   50    53    54    61  -0.07550 -1.0 2.0
   50    53    54    61   0.20000  1.0 3.0
   50    53   -68    43   0.56750  1.0 1.0
   50    53   -68    43  -0.07550 -1.0 2.0
   50    53   -68    43   0.20000  1.0 3.0
   50    53    68    67   0.56750  1.0 1.0
   50    53    68    67  -0.07550 -1.0 2.0
   50    53    68    67   0.20000  1.0 3.0
   50    53    68    69   0.15000  1.0 3.0
   50    53    57    58   0.15000  1.0 3.0
   50    53    57    59   0.15000  1.0 3.0
   50    53    57    60   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    68   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    68   0.15000  1.0 3.0
   52    50    53    57   0.15000  1.0 3.0
   53    54    61    62   0.15000  1.0 3.0
   53    54    61    63   0.15000  1.0 3.0
   53    54    61    64   0.56750  1.0 1.0
   53    54    61    64  -0.07550 -1.0 2.0
   53    54    61    64   0.20000  1.0 3.0
   54    53    68    43   0.56750  1.0 1.0
   54    53    68    43  -0.07550 -1.0 2.0
   54    53    68    43   0.20000  1.0 3.0
   54    53    68    67   0.56750  1.0 1.0
   54    53    68    67  -0.07550 -1.0 2.0
   54    53    68    67   0.20000  1.0 3.0
   54    53    68    69   0.15000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    61    64    65   0.15000  1.0 3.0
   54    61    64    66   0.15000  1.0 3.0
   54    61   -64    67   0.56750  1.0 1.0
   54    61   -64    67  -0.07550 -1.0 2.0
   54    61   -64    67   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   61    64    67    68   0.56750  1.0 1.0
   61    64    67    68  -0.07550 -1.0 2.0
   61    64    67    68   0.20000  1.0 3.0
   61    64    67    70   0.56750  1.0 1.0
   61    64    67    70  -0.07550 -1.0 2.0
   61    64    67    70   0.20000  1.0 3.0
   61    64    67    74   0.86500  1.0 1.0
   61    64    67    74  -0.17500 -1.0 2.0
   61    64    67    74   0.20800  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67    68    43   0.56750  1.0 1.0
   64    67    68    43  -0.07550 -1.0 2.0
   64    67    68    43   0.20000  1.0 3.0
   64    67   -68    53   0.56750  1.0 1.0
   64    67   -68    53  -0.07550 -1.0 2.0
   64    67   -68    53   0.20000  1.0 3.0
   64    67    68    69   0.15000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67    70    73   0.15000  1.0 3.0
   64    67    74    75  -0.11600  1.0 1.0
   64    67    74    75  -0.09450 -1.0 2.0
   64    67    74    75   0.21250  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    64    67    74   0.23400  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   66    64    67    74   0.23400  1.0 3.0
   68    43    45    39   0.34400  1.0 1.0
   68    43    45    39   0.09450 -1.0 2.0
   68    43    45    39   0.11100  1.0 3.0
   68    43    45    46   0.15000  1.0 3.0
   68    43   -45    47   0.56750  1.0 1.0
   68    43   -45    47  -0.07550 -1.0 2.0
   68    43   -45    47   0.20000  1.0 3.0
   68    53    54    55   0.15000  1.0 3.0
   68    53    54    56   0.15000  1.0 3.0
   68    53   -54    61   0.56750  1.0 1.0
   68    53   -54    61  -0.07550 -1.0 2.0
   68    53   -54    61   0.20000  1.0 3.0
   68    53    57    58   0.15000  1.0 3.0
   68    53    57    59   0.15000  1.0 3.0
   68    53    57    60   0.15000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   68    67    74    75  -0.11600  1.0 1.0
   68    67    74    75  -0.09450 -1.0 2.0
   68    67    74    75   0.21250  1.0 3.0
   70    67    68    43   0.56750  1.0 1.0
   70    67    68    43  -0.07550 -1.0 2.0
   70    67    68    43   0.20000  1.0 3.0
   70    67    68    53   0.56750  1.0 1.0
   70    67    68    53  -0.07550 -1.0 2.0
   70    67    68    53   0.20000  1.0 3.0
   70    67    68    69   0.15000  1.0 3.0
   70    67    74    75  -0.11600  1.0 1.0
   70    67    74    75  -0.09450 -1.0 2.0
   70    67    74    75   0.21250  1.0 3.0
   74    67    68    43   0.86500  1.0 1.0
   74    67    68    43  -0.17500 -1.0 2.0
   74    67    68    43   0.20800  1.0 3.0
   74    67    68    53   0.86500  1.0 1.0
   74    67    68    53  -0.17500 -1.0 2.0
   74    67    68    53   0.20800  1.0 3.0
   74    67    68    69   0.23400  1.0 3.0
   74    67    70    71   0.23400  1.0 3.0
   74    67    70    72   0.23400  1.0 3.0
   74    67    70    73   0.23400  1.0 3.0
   57    53    54    55   0.15000  1.0 3.0
   57    53    54    56   0.15000  1.0 3.0
   57    53    54    61   0.56750  1.0 1.0
   57    53    54    61  -0.07550 -1.0 2.0
   57    53    54    61   0.20000  1.0 3.0
   57    53    68    43   0.56750  1.0 1.0
   57    53    68    43  -0.07550 -1.0 2.0
   57    53    68    43   0.20000  1.0 3.0
   57    53    68    67   0.56750  1.0 1.0
   57    53    68    67  -0.07550 -1.0 2.0
   57    53    68    67   0.20000  1.0 3.0
   57    53    68    69   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
END
