* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    125    191     361
    1     0 S   NP   _N1_     1    29.01637    96.32333   -20.72119
    2     1 S   H    _HN1     2     1.02800    99.73458  -127.59529
    3     1 S   H    _H1_     3     1.02836    72.79531   -21.27882
    4     1 S   H    _H2_     4     1.02965    40.43820   126.24490
    5     1 S   CT   _CA1     5     1.50585   143.59145    81.51022
    6     5 S   HC   _HA1     6     1.09684   104.49829    93.07784
    7     5 S   CO3  _C1_     7     1.54505   110.93172   -22.48411
    8     7 S   O2Z  _O11     8     1.26012   116.78451  -125.73583
    9     7 S   O2Z  _O12     9     1.26619   113.68093    53.17334
   10     5 S   CT   _CB1    10     1.53155   106.89509  -150.69965
   11    10 S   HC   HB11    11     1.09840   110.15967   -39.27822
   12    10 S   HC   HB12    12     1.09758   110.19944    77.51527
   13    10 S   CT   _CG1    13     1.52915   112.16966  -159.65332
   14    13 S   HC   HG11    14     1.09352   110.87309   -60.08519
   15    13 S   HC   HG12    15     1.09620   109.41059    59.03285
   16    13 S   C    _CD1    16     1.51700   112.39656   179.65170
   17    16 S   O    _OE1    17     1.22748   123.20612    12.88228
   18    16 S   N    _N2_    18     1.38707   111.77548  -167.59596
   19    18 S   H    _HN2    19     1.01580   118.89978     2.92496
   20    18 S   CT1  _CA2    20     1.46159   123.34760   179.51786
   21    20 S   HC   _HA2    21     1.09739   108.94000     8.59674
   22    20 S   C    _C2_    22     1.53656   109.64285  -107.07587
   23    22 S   O    _O2_    23     1.23108   121.98666  -154.25603
   24    20 S   CT   _CB2    32     1.53490   111.91772   130.09140
   25    24 S   HC   HB21    33     1.09459   110.62755    64.09274
   26    24 S   HC   HB22    34     1.09573   109.94147  -178.59919
   27    22 S   N    _N3_    24     1.38244   114.14082    33.09894
   28    27 S   H    _HN3    25     1.01539   119.59577    -3.72421
   29    24 S   S    _SG2    35     1.82947   111.91095   -60.06064
   30    27 S   CT   _CA3    26     1.45281   123.26973   177.13324
   31    30 S   HC   HA31    27     1.09551   107.54202   -63.32581
   32    30 S   HC   HA32    28     1.09554   107.95324    53.11497
   33    29 S   CT   _C13    36     1.83151   100.41936   126.54319
   34    33 S   HC   _H9_    37     1.09410   107.93453    56.71373
   35    33 S   HC   _H10    38     1.09511   105.81113   171.83242
   36    30 S   CO3  _C3_    29     1.52968   114.05879   175.01642
   37    36 S   O2Z  _O31    30     1.26386   116.08062    -2.56460
   38    36 S   O2Z  _O32    31     1.26431   114.42784   177.49689
   39    33 S   CT   _C12    39     1.53457   113.48470   -67.56782
   40    39 S   HC   _H6_    40     1.09345   110.10223    58.34183
   41    39 S   CT   _C11    41     1.53164   114.42707  -178.86996
   42    41 S   HC   _H5_    42     1.09592   111.14105  -152.43601
   43    41 S   CT   _C10    43     1.51327   102.30949    90.62042
   44    43 S   HC   _H4_    44     1.09721   109.53805   -82.05358
   45    41 S   OS   _O34    64     1.41626   113.58598   -28.82489
   46    43 S   CO   _C9_    45     1.52447   102.60706    35.29056
   47    46 S   HC   _H3_    46     1.09623   110.51186  -145.81753
   48    43 S   OH   _O38    62     1.41514   112.09329   158.45048
   49    48 S   HO   _H12    63     0.97237   107.72675   178.69704
   50    45 S   P2   _P1_    65     1.63184   119.27533   -87.69390
   51    50 S   O2Z  _O37    66     1.51110   108.37596   177.41411
   52    50 S   O2Z  _O35    67     1.51131   109.90176    43.30452
   53    46 S   N*   _N6_    47     1.45425   115.99217    92.80610
   54    39 S   OS   _O33    61     1.44477   109.38495   -60.04681
   55    50 S   OS   _O36    68     1.63025    99.20012   -70.50311
   56    55 S   HO   _H11    69     0.97884   116.11180   -81.13683
   57    53 S   CRAB _C8_    48     1.37342   123.85681    95.99199
   58    57 S   HA   _H8_    49     1.08177   122.40847    -0.27695
   59    57 S   NNA  _N7_    50     1.31472   112.25972   179.68847
   60    59 S   C56B _C6_    51     1.37375   104.92299    -0.75537
   61    53 S   C56A _C7_    52     1.37014   129.19189   -84.78789
   62    61 S   NB   _N5_    53     1.34235   128.45154     0.51813
   63    62 S   CQ   _C4_    54     1.34567   111.12249  -179.51302
   64    63 S   HA   _H7_    55     1.08489   115.78484  -179.75691
   65    63 S   NB   _N4_    56     1.35225   128.58292     0.51586
   66    60 S   CA   _C5_    57     1.40380   131.38682  -178.87256
   67    66 S   NND  _N8_    58     1.38119   122.15378     0.58148
   68    67 S   H    _H13    59     1.01114   120.20015     1.53544
   69    67 S   H    _H14    60     1.00990   119.45970   179.48986
  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   7   5   4   3
  10   5   4   2   1   1  12   6  14   7  11   7   8  11   5   3
   1   4   3   2   9   2   1   1   6   3   6   8   6   4   4   2
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    41    54  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    54    45  
   35    39    40    41    54  
   39    40    41    54  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    53    54    48    45    50  
   41    42    43    46    54    45  
   42    43    44    46    47    53    54    48    49    45    50    51    52    55  
   43    44    46    54    48    45    50  
   44    46    47    53    57    61    54    48    49    45    50  
   46    47    53    54    48    49    45  
   50    51    52    55    56    46    48    54  
   47    53    57    58    59    60    61    62    54    48    49  
   53    57    61    54    48  
   49    53    54  
    0  
   51    52    55    56  
   52    55    56  
   55    56  
   57    58    59    60    61    62    63    66    54  
   57    61  
   56  
    0  
   58    59    60    61    62    66  
   59    60    61  
   60    61    62    65    66    67  
   61    62    63    65    66    67    68    69  
   62    63    64    65    66    67  
   63    64    65    66  
   64    65    66    67  
   65    66  
   66    67    68    69  
   67    68    69  
   68    69  
   69  
    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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   59   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   60   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   63   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   66   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   68   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   69   0.5000   0.0300   0.370000   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   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    54   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    46   250.000  1.527
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    53   275.000  1.479
   46    54   320.000  1.380
   53    57   440.000  1.371
   53    61   436.000  1.374
   57    58   367.000  1.080
   57    59   529.000  1.304
   59    60   414.000  1.391
   60    61   447.000  1.419
   60    66   469.000  1.404
   61    62   461.000  1.354
   62    63   502.000  1.324
   63    64   367.000  1.080
   63    65   502.000  1.324
   65    66   483.000  1.339
   66    67   481.000  1.340
   67    68   434.000  1.010
   67    69   434.000  1.010
   48    49   553.000  0.945
   45    50   230.000  1.697
   50    51   525.000  1.480
   50    52   525.000  1.480
   50    55   230.000  1.697
   55    56   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    54    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    54    46    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    46    75.00000  109.43000
   41    43    48    50.00000  109.50000
   41    45    50   100.00000  120.50000
   43    41    42    37.50000  110.70000
   43    46    47    45.00000  112.01100
   43    46    53    75.00000  107.44000
   43    46    54    90.00000  108.56700
   43    48    49    55.00000  108.50000
   46    43    44    45.00000  108.72000
   46    53    57    70.00000  128.80000
   46    53    61    70.00000  125.80000
   53    46    47    55.00000  103.44000
   53    57    58    35.00000  123.05000
   53    57    59    70.00000  113.90000
   53    61    60    70.00000  106.20000
   53    61    62    70.00000  126.20000
   57    59    60    70.00000  103.80000
   59    57    58    35.00000  123.05000
   59    60    61    70.00000  110.40000
   59    60    66    70.00000  132.40000
   60    61    62    70.00000  127.70000
   60    66    65    70.00000  117.30000
   60    66    67    70.00000  123.50000
   61    53    57    70.00000  105.40000
   61    62    63    70.00000  111.00000
   62    63    64    35.00000  115.45000
   62    63    65    70.00000  129.10000
   63    65    66    70.00000  118.60000
   65    63    64    35.00000  115.45000
   65    66    67    70.00000  119.30000
   66    60    61    85.00000  116.20000
   66    67    68    35.00000  120.00000
   66    67    69    35.00000  120.00000
   69    67    68    35.00000  120.00000
   54    39    40    35.00000  109.50000
   54    39    41    50.00000  109.50000
   54    46    47    35.00000  109.50000
   54    46    53   105.00000  106.22000
   48    43    44    35.00000  109.50000
   48    43    46    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
   45    50    51   100.00000  108.23000
   45    50    52   100.00000  108.23000
   45    50    55    45.00000  102.60000
   50    55    56    45.00000  108.50000
   52    50    51   140.00000  119.90000
   55    50    51   100.00000  108.23000
   55    50    52   100.00000  108.23000
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   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    54   0.56750  1.0 1.0
   29    33    39    54  -0.07550 -1.0 2.0
   29    33    39    54   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    54    46   0.06250  1.0 1.0
   33    39    54    46  -0.01100 -1.0 2.0
   33    39    54    46   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    54   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    54   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    46   3.97050  1.0 1.0
   39    41    43    48   0.86500  1.0 1.0
   39    41    43    48  -0.17500 -1.0 2.0
   39    41    43    48   0.20800  1.0 3.0
   39    41    45    50  -2.65550  1.0 1.0
   39    41    45    50  -0.22350 -1.0 2.0
   39    41    45    50   0.24150  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    54    46   0.37050  1.0 3.0
   41    39   -54    46   0.06250  1.0 1.0
   41    39   -54    46  -0.01100 -1.0 2.0
   41    39   -54    46   0.28050  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    53  -0.64600  1.0 1.0
   41    43    46    53   0.58400 -1.0 2.0
   41    43   -46    54   0.62750  1.0 1.0
   41    43   -46    54  -0.30950 -1.0 2.0
   41    43   -46    54   0.27300  1.0 3.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   41    45    50    51   0.00000  1.0 1.0
   41    45    50    52   0.00000  1.0 1.0
   41    45    50    55   0.05050  1.0 1.0
   41    45    50    55  -1.30700 -1.0 2.0
   41    45    50    55   0.91550  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    45    50   0.03000  1.0 3.0
   43    41    45    50  -2.65550  1.0 1.0
   43    41    45    50  -0.22350 -1.0 2.0
   43    41    45    50   0.24150  1.0 3.0
   43    46    53    57   1.10250  1.0 1.0
   43    46    53    57   0.01650 -1.0 2.0
   43    46    53    57   0.39100  1.0 3.0
   43    46    53    61   1.10250  1.0 1.0
   43    46    53    61   0.01650 -1.0 2.0
   43    46    53    61   0.39100  1.0 3.0
   43    46   -54    39   0.06250  1.0 1.0
   43    46   -54    39  -0.01100 -1.0 2.0
   43    46   -54    39   0.28050  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    53   0.15000  1.0 3.0
   44    43    46    54   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    53    57    58   3.62500 -1.0 2.0
   46    53    57    59   3.62500 -1.0 2.0
   46    53    61    60   0.81400  1.0 1.0
   46    53    61    60   1.55550 -1.0 2.0
   46    53    61    62   3.62500 -1.0 2.0
   47    46    53    57   0.00000  1.0 1.0
   47    46    53    61   0.00000  1.0 1.0
   47    46    54    39   0.37050  1.0 3.0
   53    46    54    39  -2.37750  1.0 1.0
   53    46    54    39  -0.08150 -1.0 2.0
   53    46    54    39   0.59000  1.0 3.0
   53    57   -59    60   3.62500 -1.0 2.0
   53    61    62    63   3.62500 -1.0 2.0
   57    53   -61    60   0.70250  1.0 1.0
   57    53   -61    60   1.56150 -1.0 2.0
   57    53    61    62   3.62500 -1.0 2.0
   57    59   -60    61   3.62500 -1.0 2.0
   57    59    60    66   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   59    60   -61    53   3.62500 -1.0 2.0
   59    60    61    62   3.62500 -1.0 2.0
   59    60    66    65   3.62500 -1.0 2.0
   59    60    66    67   3.62500 -1.0 2.0
   60    61    62    63   3.62500 -1.0 2.0
   60    66    67    68   0.70000 -1.0 2.0
   60    66    67    69   0.70000 -1.0 2.0
   61    53    57    58   3.62500 -1.0 2.0
   61    53   -57    59   3.62500 -1.0 2.0
   61    60    66    65   3.62500 -1.0 2.0
   61    60    66    67   3.62500 -1.0 2.0
   61    62    63    64   3.62500 -1.0 2.0
   61    62   -63    65   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   63    65   -66    60   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   65    66    67    68   0.70000 -1.0 2.0
   65    66    67    69   0.70000 -1.0 2.0
   66    60    61    53   3.00000 -1.0 2.0
   66    60   -61    62   3.62500 -1.0 2.0
   54    39    41    42   0.23400  1.0 3.0
   54    39   -41    43   0.62750  1.0 1.0
   54    39   -41    43  -0.30950 -1.0 2.0
   54    39   -41    43   0.27300  1.0 3.0
   54    39    41    45   1.11900  1.0 1.0
   54    39    41    45  -1.16350 -1.0 2.0
   54    39    41    45  -0.34150  1.0 3.0
   54    46    53    57   0.10350  1.0 1.0
   54    46    53    57  -0.15350 -1.0 2.0
   54    46    53    61   0.10350  1.0 1.0
   54    46    53    61  -0.15350 -1.0 2.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    53   2.76900  1.0 1.0
   48    43    46    53  -0.24350 -1.0 2.0
   48    43    46    53  -0.78250  1.0 3.0
   48    43    46    54   3.69350  1.0 1.0
   48    43    46    54  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    46   0.62750  1.0 1.0
   45    41    43    46  -0.30950 -1.0 2.0
   45    41    43    46   0.27300  1.0 3.0
   45    41    43    48   3.69350  1.0 1.0
   45    41    43    48  -1.82950 -1.0 2.0
   45    50    55    56   0.00000  1.0 1.0
   51    50    55    56   0.00000  1.0 1.0
   52    50    55    56   0.00000  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
   37    30    36    38  10.50000 -1.0 2.0
   57    61    53    46   4.00000 -1.0 2.0
   59    58    57    53   1.10000 -1.0 2.0
   61    66    60    59   4.00000 -1.0 2.0
   60    62    61    53   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   65    67    66    60   4.00000 -1.0 2.0
   69    66    67    68   1.00000 -1.0 2.0
END
