* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    121    198     356
    1     0 S   NP   _N1_     1    29.28836    91.79130   -22.59095
    2     1 S   H    _HN1     2     1.02778    94.63343   -92.39947
    3     1 S   H    _H1_     3     1.02965   103.93687    17.75939
    4     1 S   H    _H2_     4     1.02833    16.05896   121.12197
    5     1 S   CT   _CA1     5     1.50124   125.56154   145.96193
    6     5 S   HC   _HA1     6     1.09570   105.28174    52.11571
    7     5 S   CO3  _C1_     7     1.53818   112.30563   -68.17211
    8     7 S   O2Z  _O11     8     1.26355   115.03625   -44.73627
    9     7 S   O2Z  _O12     9     1.26237   114.92299   134.43272
   10     5 S   CT   _CB1    10     1.53060   107.38321   170.05104
   11    10 S   HC   HB11    11     1.09819   109.42792   -50.48067
   12    10 S   HC   HB12    12     1.09814   110.27857    66.01336
   13    10 S   CT   _CG1    13     1.53039   112.75346  -171.68006
   14    13 S   HC   HG11    14     1.09589   110.28658   -60.33839
   15    13 S   HC   HG12    15     1.09612   110.25193    58.95150
   16    13 S   C    _CD1    16     1.51748   111.98656   179.19085
   17    16 S   O    _OE1    17     1.22736   123.18306   -13.00269
   18    16 S   N    _N2_    18     1.38641   111.89321   167.43663
   19    18 S   H    _HN2    19     1.01578   119.21917     3.97921
   20    18 S   CT1  _CA2    20     1.46048   123.06717  -175.35983
   21    20 S   HC   _HA2    21     1.09596   109.22010    -2.60970
   22    20 S   C    _C2_    22     1.53379   109.32853  -118.14616
   23    22 S   O    _O2_    23     1.23052   121.97893  -147.76717
   24    20 S   CT   _CB2    32     1.53530   111.58662   119.06736
   25    24 S   HC   HB21    33     1.09662   109.52456    67.76116
   26    24 S   HC   HB22    34     1.09578   110.77846  -175.03896
   27    22 S   N    _N3_    24     1.38430   113.65155    39.77251
   28    27 S   H    _HN3    25     1.01498   119.02078    -0.53155
   29    24 S   S    _SG2    35     1.82850   114.82200   -51.63614
   30    27 S   CT   _CA3    26     1.45438   123.30480   174.98386
   31    30 S   HC   HA31    27     1.09532   109.10728    27.40022
   32    30 S   HC   HA32    28     1.09493   107.17245   144.37788
   33    29 S   CT   _C13    36     1.82091   100.10064   -67.23735
   34    33 S   HC   _H9_    37     1.09375   109.06633   -66.09824
   35    33 S   HC   _H10    38     1.09196   110.23085    54.93490
   36    30 S   CO3  _C3_    29     1.52924   113.12932   -95.97952
   37    36 S   O2Z  _O31    30     1.26399   115.40082   -45.31726
   38    36 S   O2Z  _O32    31     1.26354   114.98940   135.59856
   39    33 S   N    _N4_    39     1.45368   109.84300   174.26588
   40    39 S   C    _C11    40     1.37753   124.42257   -90.45805
   41    40 S   O    _O33    41     1.22641   125.98971    -1.96901
   42    40 S   CT   _C10    42     1.54789   109.44846   178.13491
   43    42 S   CA   _C7_    43     1.53365   108.88596   119.93180
   44    42 S   CA   _C14    54     1.53296   114.34402  -112.50676
   45    42 S   N    _N5_    65     1.45936    98.26196     1.78070
   46    45 S   H    _H8_    66     1.01462   123.65069   180.00000
   47    43 S   CA   _C6_    44     1.40874   119.74475    74.18788
   48    47 S   HA   _H5_    45     1.08808   120.41942     0.20463
   49    44 S   CA   _C15    55     1.40987   119.16999   176.63687
   50    49 S   HA   _H11    56     1.08802   120.34446     0.26170
   51    39 S   C    _C12    67     1.37319   124.60672    89.33102
   52    51 S   O    _O34    68     1.22325   127.70598     1.00405
   53    47 S   CA   _C5_    46     1.39644   121.16607  -179.66839
   54    53 S   HA   _H4_    47     1.08624   119.93015  -179.88636
   55    49 S   CA   _C16    57     1.39646   121.23825  -179.83807
   56    55 S   HA   _H12    58     1.08621   119.95656  -179.81025
   57    53 S   CA   _C4_    48     1.39125   120.04061     0.22381
   58    57 S   HA   _H3_    49     1.08601   120.11427   179.95154
   59    55 S   CA   _C17    59     1.39094   120.00528     0.18452
   60    59 S   HA   _H13    60     1.08593   120.17270  -179.92598
   61    57 S   CA   _C9_    50     1.39198   119.77925     0.13417
   62    61 S   HA   _H7_    51     1.08653   119.90278   179.74821
   63    59 S   CA   _C18    61     1.39178   119.74770     0.15195
   64    63 S   HA   _H14    62     1.08692   119.94430   179.97202
   65    43 S   CA   _C8_    52     1.40540   122.44059  -104.87602
   66    65 S   HA   _H6_    53     1.08667   121.26600    -0.24228
   67    44 S   CA   _C19    63     1.40457   123.09087    -2.60309
   68    67 S   HA   _H15    64     1.08626   121.69006    -0.20174
  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
   9   4   3   2   1   1   9  12   5  18  15  14   7   2   8   4
   8   4   1   1   6   3   6   3   5   3   5   3   3   2   3   2
   1   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    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    51    52  
   35    39    40    51  
   39    40    51  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    51    52  
   41    42    43    47    65    44    49    67    45    46    51    52  
   42    43    44    45    51  
   43    47    48    53    61    65    66    44    49    50    55    63    67    68    45    46    51    52  
   47    48    53    54    57    61    62    65    66    44    49    67    45    46    51  
   49    50    55    56    59    63    64    67    68    45    46    51    47    65  
   46    51    52    47    49    65    67  
   51    52  
   48    53    54    57    58    61    65    66  
   53    54    57    65  
   50    55    56    59    60    63    67    68  
   55    56    59    67  
   52  
    0  
   54    57    58    61    62    65  
   57    58    61  
   56    59    60    63    64    67  
   59    60    63  
   58    61    62    65    66  
   61    62    65  
   60    63    64    67    68  
   63    64    67  
   62    65    66  
   65    66  
   64    67    68  
   67    68  
   66  
    0  
   68  
    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   0.097200   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.2500   0.1700  -0.294700   1.8100   1.6000   0.054801302  -1.445846770
   40   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   42   3.5000   0.0660   0.352500   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.2500   0.1700  -0.536200   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.7500   0.1050   0.753000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   337.000  1.449
   39    40   490.000  1.335
   39    51   490.000  1.335
   40    41   570.000  1.229
   40    42   317.000  1.522
   42    43   317.000  1.510
   42    44   317.000  1.510
   42    45   337.000  1.449
   43    47   469.000  1.400
   43    65   469.000  1.400
   47    48   367.000  1.080
   47    53   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    66   367.000  1.080
   44    49   469.000  1.400
   44    67   469.000  1.400
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    64   367.000  1.080
   63    67   469.000  1.400
   67    68   367.000  1.080
   45    46   434.000  1.010
   45    51   490.000  1.335
   51    52   570.000  1.229
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    80.00000  108.62000
   33    39    40    50.00000  121.90000
   33    39    51    50.00000  121.90000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  122.90000
   39    40    42    70.00000  116.60000
   39    51    45    90.00000  111.91700
   39    51    52    80.00000  122.90000
   40    42    43    70.00000  109.44300
   40    42    44    70.00000  109.44300
   40    42    45    75.00000  110.24000
   42    40    41    80.00000  120.40000
   42    43    47    70.00000  120.00000
   42    43    65    70.00000  120.00000
   42    44    49    70.00000  120.00000
   42    44    67    70.00000  120.00000
   42    45    46    38.00000  118.40000
   42    45    51    50.00000  121.90000
   43    47    48    35.00000  120.00000
   43    47    53    63.00000  120.00000
   43    65    61    63.00000  120.00000
   43    65    66    35.00000  120.00000
   47    53    54    35.00000  120.00000
   47    53    57    63.00000  120.00000
   53    47    48    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    61    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    61    62    35.00000  120.00000
   57    61    65    63.00000  120.00000
   61    57    58    35.00000  120.00000
   61    65    66    35.00000  120.00000
   65    43    47    63.00000  120.00000
   65    61    62    35.00000  120.00000
   44    42    43    70.00000  112.04700
   44    49    50    35.00000  120.00000
   44    49    55    63.00000  120.00000
   44    67    63    63.00000  120.00000
   44    67    68    35.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    59    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    63    63.00000  120.00000
   59    55    56    35.00000  120.00000
   59    63    64    35.00000  120.00000
   59    63    67    63.00000  120.00000
   63    59    60    35.00000  120.00000
   63    67    68    35.00000  120.00000
   67    44    49    63.00000  120.00000
   67    63    64    35.00000  120.00000
   45    42    43    75.00000  111.96400
   45    42    44    75.00000  111.96400
   45    51    52    80.00000  122.90000
   51    39    40    70.00000  121.37400
   51    45    46    35.00000  119.80000
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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40  -0.42300  1.0 1.0
   29    33    39    40  -0.07000 -1.0 2.0
   29    33    39    40   0.04150  1.0 3.0
   29    33    39    51  -0.42300  1.0 1.0
   29    33    39    51  -0.07000 -1.0 2.0
   29    33    39    51   0.04150  1.0 3.0
   33    39    40    41   3.04450 -1.0 2.0
   33    39    40    42   1.49850  1.0 1.0
   33    39    40    42   1.53950 -1.0 2.0
   33    39    51    45   4.56800  1.0 1.0
   33    39    51    45   0.31650 -1.0 2.0
   33    39    51    52   3.04450 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    51   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    51   0.00000  1.0 1.0
   39    40    42    43   0.00000  1.0 1.0
   39    40    42    44   0.00000  1.0 1.0
   39    40   -42    45   0.00000  1.0 1.0
   40    39   -51    45   3.00000 -1.0 2.0
   40    39    51    52   2.22250 -1.0 2.0
   40    42    43    47   0.04300 -1.0 2.0
   40    42    43    65   0.04300 -1.0 2.0
   40    42    44    49   0.04300 -1.0 2.0
   40    42    44    67   0.04300 -1.0 2.0
   40    42    45    46   0.00000  1.0 1.0
   40    42   -45    51  -0.42300  1.0 1.0
   40    42   -45    51  -0.07000 -1.0 2.0
   40    42   -45    51   0.04150  1.0 3.0
   41    40    42    43   0.30150 -1.0 2.0
   41    40    42    44   0.30150 -1.0 2.0
   41    40    42    45   0.30150 -1.0 2.0
   42    43    47    48   3.62500 -1.0 2.0
   42    43    47    53   3.62500 -1.0 2.0
   42    43    65    61   3.62500 -1.0 2.0
   42    43    65    66   3.62500 -1.0 2.0
   42    44    49    50   3.62500 -1.0 2.0
   42    44    49    55   3.62500 -1.0 2.0
   42    44    67    63   3.62500 -1.0 2.0
   42    44    67    68   3.62500 -1.0 2.0
   42    45   -51    39   4.56800  1.0 1.0
   42    45   -51    39   0.31650 -1.0 2.0
   42    45    51    52   3.04450 -1.0 2.0
   43    42    44    49   0.04300 -1.0 2.0
   43    42    44    67   0.04300 -1.0 2.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    51  -0.69800  1.0 1.0
   43    42    45    51  -0.21350 -1.0 2.0
   43    47    53    54   3.62500 -1.0 2.0
   43    47    53    57   3.62500 -1.0 2.0
   47    43    65    61   3.62500 -1.0 2.0
   47    43    65    66   3.62500 -1.0 2.0
   47    53    57    58   3.62500 -1.0 2.0
   47    53   -57    61   3.62500 -1.0 2.0
   48    47    53    54   3.62500 -1.0 2.0
   48    47    53    57   3.62500 -1.0 2.0
   53    57    61    62   3.62500 -1.0 2.0
   53    57    61    65   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    61   3.62500 -1.0 2.0
   57    61   -65    43   3.62500 -1.0 2.0
   57    61    65    66   3.62500 -1.0 2.0
   58    57    61    62   3.62500 -1.0 2.0
   58    57    61    65   3.62500 -1.0 2.0
   62    61    65    43   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   65    43    47    48   3.62500 -1.0 2.0
   65    43   -47    53   3.62500 -1.0 2.0
   44    42    43    47   0.04300 -1.0 2.0
   44    42    43    65   0.04300 -1.0 2.0
   44    42    45    46   0.00000  1.0 1.0
   44    42    45    51  -0.69800  1.0 1.0
   44    42    45    51  -0.21350 -1.0 2.0
   44    49    55    56   3.62500 -1.0 2.0
   44    49    55    59   3.62500 -1.0 2.0
   49    44    67    63   3.62500 -1.0 2.0
   49    44    67    68   3.62500 -1.0 2.0
   49    55    59    60   3.62500 -1.0 2.0
   49    55   -59    63   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    59   3.62500 -1.0 2.0
   55    59    63    64   3.62500 -1.0 2.0
   55    59    63    67   3.62500 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   56    55    59    63   3.62500 -1.0 2.0
   59    63   -67    44   3.62500 -1.0 2.0
   59    63    67    68   3.62500 -1.0 2.0
   60    59    63    64   3.62500 -1.0 2.0
   60    59    63    67   3.62500 -1.0 2.0
   64    63    67    44   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   67    44    49    50   3.62500 -1.0 2.0
   67    44   -49    55   3.62500 -1.0 2.0
   45    42    43    47  -0.24500  1.0 1.0
   45    42    43    47   0.48300 -1.0 2.0
   45    42    43    47   0.08900  1.0 3.0
   45    42    43    65  -0.24500  1.0 1.0
   45    42    43    65   0.48300 -1.0 2.0
   45    42    43    65   0.08900  1.0 3.0
   45    42    44    49  -0.24500  1.0 1.0
   45    42    44    49   0.48300 -1.0 2.0
   45    42    44    49   0.08900  1.0 3.0
   45    42    44    67  -0.24500  1.0 1.0
   45    42    44    67   0.48300 -1.0 2.0
   45    42    44    67   0.08900  1.0 3.0
   46    45    51    39   2.56700 -1.0 2.0
   46    45    51    52   2.45000 -1.0 2.0
   51    39    40    41   2.22250 -1.0 2.0
   51    39   -40    42   2.45000 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   51    40    39    33   1.00000 -1.0 2.0
   39    42    40    41  10.50000 -1.0 2.0
   47    65    43    42   4.00000 -1.0 2.0
   53    48    47    43   1.10000 -1.0 2.0
   57    54    53    47   1.10000 -1.0 2.0
   61    58    57    53   1.10000 -1.0 2.0
   65    62    61    57   1.10000 -1.0 2.0
   61    66    65    43   1.10000 -1.0 2.0
   49    67    44    42   4.00000 -1.0 2.0
   55    50    49    44   1.10000 -1.0 2.0
   59    56    55    49   1.10000 -1.0 2.0
   63    60    59    55   1.10000 -1.0 2.0
   67    64    63    59   1.10000 -1.0 2.0
   63    68    67    44   1.10000 -1.0 2.0
   46    51    45    42   1.00000 -1.0 2.0
   39    45    51    52  10.50000 -1.0 2.0
END
