* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    132    192     371
    1     0 S   NP   _N1_     1    29.34155    95.38589   -26.99639
    2     1 S   H    _HN1     2     1.02951    76.94854     3.82925
    3     1 S   H    _H1_     3     1.02828    31.10397  -161.58417
    4     1 S   H    _H2_     4     1.02785   125.98796   -99.54285
    5     1 S   CT   _CA1     5     1.50108   115.63562   110.43465
    6     5 S   HC   _HA1     6     1.09573   105.20412    92.73533
    7     5 S   CO3  _C1_     7     1.53791   112.45969   -27.51676
    8     7 S   O2Z  _O11     8     1.26372   115.00698   -42.72469
    9     7 S   O2Z  _O12     9     1.26240   114.94730   136.43825
   10     5 S   CT   _CB1    10     1.53083   107.42567  -149.27549
   11    10 S   HC   HB11    11     1.09833   109.38418   -49.77326
   12    10 S   HC   HB12    12     1.09813   110.44211    66.83693
   13    10 S   CT   _CG1    13     1.52989   112.59851  -170.75391
   14    13 S   HC   HG11    14     1.09582   110.62162   -65.31954
   15    13 S   HC   HG12    15     1.09670   109.79493    53.90823
   16    13 S   C    _CD1    16     1.51800   112.24714   174.36939
   17    16 S   O    _OE1    17     1.22729   123.29604     6.35419
   18    16 S   N    _N2_    18     1.38654   111.65780  -173.74235
   19    18 S   H    _HN2    19     1.01583   118.93035     1.80613
   20    18 S   CT1  _CA2    20     1.46200   123.40886   177.57416
   21    20 S   HC   _HA2    21     1.09735   109.35893     2.65151
   22    20 S   C    _C2_    22     1.53561   108.63048  -112.83359
   23    22 S   O    _O2_    23     1.23058   122.27984  -148.12531
   24    20 S   CT   _CB2    32     1.53310   111.56052   124.66328
   25    24 S   HC   HB21    33     1.09576   110.04333    56.22300
   26    24 S   HC   HB22    34     1.09512   110.18740   175.26774
   27    22 S   N    _N3_    24     1.38329   113.72031    39.33499
   28    27 S   H    _HN3    25     1.01583   119.59167    -3.32319
   29    24 S   S    _SG2    35     1.82699   111.60556   -64.86846
   30    27 S   CT   _CA3    26     1.45288   123.20947   177.12513
   31    30 S   HC   HA31    27     1.09549   107.51035   -64.59109
   32    30 S   HC   HA32    28     1.09557   107.98558    51.84858
   33    29 S   CTHO _C19    36     1.81858    99.01170   179.28236
   34    33 S   F    F1__    37     1.36041   108.99488    56.25446
   35    33 S   HC   _H3_    38     1.09543   107.41107   174.55788
   36    30 S   CO3  _C3_    29     1.52960   114.07953   173.84712
   37    36 S   O2Z  _O31    30     1.26377   116.06595    -0.61992
   38    36 S   O2Z  _O32    31     1.26428   114.41321   179.43977
   39    33 S   OS   _O36    39     1.42588   111.45510   -63.48004
   40    39 S   CA   _C15    40     1.37164   117.70078  -173.07859
   41    40 S   CA   _C16    41     1.40206   114.21543   177.19495
   42    41 S   HA   _H16    42     1.08847   119.74507    -0.10279
   43    41 S   CA   _C17    43     1.40117   121.59181   179.95577
   44    43 S   HA   _H17    44     1.08504   120.61553   179.94405
   45    43 S   C56B _C18    45     1.40223   118.38747    -0.10468
   46    45 S   C56A _C13    46     1.39028   119.10496     0.02798
   47    40 S   CA   _C14    47     1.40161   125.31832    -3.03357
   48    47 S   HA   _H15    48     1.08312   123.19101    -0.22900
   49    46 S   NA   _N5_    49     1.37138   104.31094  -179.95154
   50    49 S   H    _H14    50     1.01132   126.25776   179.85735
   51    49 S   CRA  _C12    51     1.37008   107.96658     0.33102
   52    45 S   N5B  _N6_    52     1.37519   129.95386  -179.98022
   53    51 S   SZ   _S1_    53     1.73308   124.17992  -179.40884
   54    53 S   OZ   _O35    54     1.50070   106.12623   -17.03896
   55    53 S   CT   _C11    55     1.82105    97.38022  -128.50105
   56    55 S   HC   _H12    56     1.09618   108.23073    56.86240
   57    55 S   HC   _H13    57     1.09513   109.39855   -60.11719
   58    55 S   CA   _C8_    58     1.50477   111.46959   177.65365
   59    58 S   CA   _C9_    59     1.39899   121.82415    80.88314
   60    59 S   CA   _C5_    60     1.40235   119.20831   178.45617
   61    59 S   OS   _O34    71     1.37106   118.36258     2.11202
   62    60 S   CA   _C6_    61     1.39288   118.60381     2.61905
   63    62 S   HA   _H7_    62     1.08343   122.96393   179.49642
   64    60 S   OS   _O33    66     1.36971   116.73615  -176.22343
   65    61 S   CT   _C10    72     1.42825   112.13255  -116.02499
   66    65 S   HC   _H9_    73     1.09429   107.69480   150.20909
   67    65 S   HC   _H10    74     1.09633   112.71863    31.29459
   68    65 S   HC   _H11    75     1.09382   110.23409   -92.44563
   69    62 S   CA   _C7_    63     1.38546   118.28855    -1.14004
   70    69 S   HA   _H8_    64     1.08556   120.67169  -179.96044
   71    64 S   CT   _C4_    67     1.42250   117.33069  -179.50663
   72    71 S   HC   _H4_    68     1.09427   107.73248   179.31729
   73    71 S   HC   _H5_    69     1.09498   111.15116    61.58152
   74    71 S   HC   _H6_    70     1.09494   111.12386   -62.95773
   75    58 S   NB   _N4_    65     1.35547   115.92068   -98.09210
  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   5   5   4   3
   6   3   2   2   1   1   7   9   8   4   7   3   8   7   5   1
   6   3   7   3   7   4   8   4   3   9  12  12   7   6   4   5
   3   2   1   1   2   1   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  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    47  
   35    39    40  
   39    40  
   37    38  
   38  
    0  
   40    41    42    43    46    47    48  
   41    42    43    44    45    46    47    48    49  
   42    43    44    45    46    47    48    52  
   43    44    45    47  
   44    45    46    47    49    51    52  
   45    46    52  
   46    47    48    49    50    51    52    53  
   47    48    49    50    51    52    53  
   48    49    50    51    52  
   49  
   50    51    52    53    54    55  
   51    52    53  
   52    53    54    55    56    57    58  
   53    54    55  
   54    55    56    57    58    59    75  
   55    56    57    58  
   56    57    58    59    60    69    75    61  
   57    58    59    75  
   58    59    75  
   59    60    62    69    70    75    64    61    65  
   60    62    63    69    75    64    71    61    65    66    67    68  
   62    63    69    70    75    64    71    72    73    74    61    65  
   65    66    67    68    62    64    75  
   63    69    70    75    64    71  
   69    70    75    64  
   71    72    73    74    69  
   66    67    68  
   67    68  
   68  
    0  
   70    75  
   75  
   72    73    74  
   73    74  
   74  
    0  
    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  -0.316400   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   0.583800   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9400   0.0610  -0.269000   2.4980   2.2250   0.001000000   0.985400000
   35   2.5000   0.0300   0.030000   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   2.9000   0.1400  -0.295900   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0700   0.079000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.149000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.151400   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.369600   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.209100   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700   0.498200   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.229900   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.329000   2.5000   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.198400   1.3810   1.2100   0.030040813   0.268726247
   49   3.2500   0.1700  -0.625700   1.8000   1.6000   0.001000000  -0.511443539
   50   0.5000   0.0300   0.407200   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700   0.486300   2.5000   1.7750   0.001000000  -0.843144165
   52   3.2800   0.1700  -0.678700   1.8000   1.6000   0.001000000  -0.511443539
   53   3.5600   0.3950   0.307500   2.0080   1.7800   0.025682759  -1.666211680
   54   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   55   3.5000   0.0660   0.140000   2.4950   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.192000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.392000   2.5000   1.7750   0.001000000  -0.843144165
   61   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   64   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
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   455.000  1.355
   33    35   375.000  1.089
   33    39   470.000  1.351
   39    40   450.000  1.364
   40    41   469.000  1.400
   40    47   469.000  1.400
   41    42   367.000  1.080
   41    43   469.000  1.400
   43    44   367.000  1.080
   43    45   469.000  1.404
   45    46   447.000  1.419
   45    52   425.000  1.391
   46    47   469.000  1.400
   46    49   428.000  1.380
   47    48   367.000  1.080
   49    50   434.000  1.010
   49    51   477.000  1.343
   51    52   488.000  1.335
   51    53   200.000  1.819
   53    54   700.000  1.530
   53    55   340.000  1.853
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   317.000  1.510
   58    59   469.000  1.400
   58    75   483.000  1.339
   59    60   469.000  1.400
   59    61   450.000  1.364
   60    62   469.000  1.400
   60    64   450.000  1.364
   62    63   367.000  1.080
   62    69   469.000  1.400
   69    70   367.000  1.080
   69    75   483.000  1.339
   64    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   61    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    90.00000  110.13500
   29    33    35    35.00000  109.50000
   29    33    39    85.00000  114.68000
   33    39    40    90.00000  114.16000
   35    33    34    55.00000  109.56900
   39    33    34   110.00000  110.36100
   39    33    35    60.00000  110.43500
   39    40    41    70.00000  120.00000
   39    40    47    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    43    63.00000  120.00000
   40    47    46    85.00000  120.00000
   40    47    48    35.00000  120.00000
   41    43    44    35.00000  120.00000
   41    43    45    63.00000  120.00000
   43    41    42    35.00000  120.00000
   43    45    46    85.00000  116.20000
   43    45    52    60.00000  127.02500
   45    43    44    35.00000  120.00000
   45    46    47    85.00000  122.70000
   45    46    49    70.00000  104.40000
   45    52    51    95.00000  105.97700
   46    47    48    35.00000  120.00000
   46    49    50    35.00000  123.10000
   46    49    51    90.00000  105.79800
   47    40    41    63.00000  120.00000
   49    46    47    70.00000  132.80000
   49    51    52    70.00000  120.00000
   49    51    53    70.00000  118.96000
   51    49    50    35.00000  120.00000
   51    53    54   105.00000  104.25000
   51    53    55   100.00000   94.18000
   52    45    46    80.00000  112.17400
   53    51    52    70.00000  123.12000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    75.00000  109.00000
   55    53    54    74.00000  107.00000
   55    58    59    70.00000  120.00000
   55    58    75    75.00000  115.74700
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    59    60    63.00000  120.00000
   58    59    61    70.00000  120.00000
   58    75    69    70.00000  117.00000
   59    60    62    63.00000  120.00000
   59    60    64    70.00000  120.00000
   59    61    65    75.00000  111.00000
   60    62    63    35.00000  120.00000
   60    62    69    63.00000  120.00000
   60    64    71    75.00000  111.00000
   62    69    70    35.00000  120.00000
   62    69    75    70.00000  124.00000
   69    62    63    35.00000  120.00000
   75    58    59    70.00000  124.00000
   75    69    70    35.00000  116.00000
   64    60    62    70.00000  120.00000
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   61    59    60    70.00000  120.00000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.14700  1.0 1.0
   29    33    39    40  -1.16150 -1.0 2.0
   29    33    39    40   0.48700  1.0 3.0
   33    39    40    41   1.11600 -1.0 2.0
   33    39    40    47   1.11600 -1.0 2.0
   34    33    39    40   0.73750  1.0 1.0
   34    33    39    40  -2.02850 -1.0 2.0
   34    33    39    40   0.37850  1.0 3.0
   35    33    39    40   0.08050  1.0 3.0
   39    40    41    42   3.62500 -1.0 2.0
   39    40    41    43   3.62500 -1.0 2.0
   39    40    47    46   3.62500 -1.0 2.0
   39    40    47    48   3.62500 -1.0 2.0
   40    41    43    44   3.62500 -1.0 2.0
   40    41    43    45   3.62500 -1.0 2.0
   41    40    47    46   3.62500 -1.0 2.0
   41    40    47    48   3.62500 -1.0 2.0
   41    43   -45    46   3.50000 -1.0 2.0
   41    43    45    52   3.62500 -1.0 2.0
   42    41    43    44   3.62500 -1.0 2.0
   42    41    43    45   3.62500 -1.0 2.0
   43    45    46    47   3.00000 -1.0 2.0
   43    45    46    49   3.00000 -1.0 2.0
   43    45    52    51   3.62500 -1.0 2.0
   44    43    45    46   3.50000 -1.0 2.0
   44    43    45    52   3.62500 -1.0 2.0
   45    46   -47    40   3.62500 -1.0 2.0
   45    46    47    48   3.62500 -1.0 2.0
   45    46    49    50   1.52500 -1.0 2.0
   45    46   -49    51   3.62500 -1.0 2.0
   46    45   -52    51   3.62500 -1.0 2.0
   46    49   -51    52   3.62500 -1.0 2.0
   46    49    51    53   3.62500 -1.0 2.0
   47    40    41    42   3.62500 -1.0 2.0
   47    40   -41    43   3.62500 -1.0 2.0
   47    46    49    50   1.52500 -1.0 2.0
   47    46    49    51   3.62500 -1.0 2.0
   49    46    47    40   3.62500 -1.0 2.0
   49    46    47    48   3.62500 -1.0 2.0
   49    51   -52    45   3.62500 -1.0 2.0
   49    51    53    54   0.00000  1.0 1.0
   49    51    53    55   0.00000  1.0 1.0
   50    49    51    52   2.32500 -1.0 2.0
   50    49    51    53   2.00000 -1.0 2.0
   51    53    55    56   0.00000  1.0 1.0
   51    53    55    57   0.00000  1.0 1.0
   51    53    55    58   0.00000  1.0 1.0
   52    45    46    47   3.62500 -1.0 2.0
   52    45   -46    49   3.62500 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   53    51    52    45   3.62500 -1.0 2.0
   53    55    58    59   0.04300 -1.0 2.0
   53    55    58    75   0.04300 -1.0 2.0
   54    53    55    56  -0.07200  1.0 3.0
   54    53    55    57  -0.07200  1.0 3.0
   54    53    55    58   0.00000  1.0 1.0
   55    58    59    60   3.62500 -1.0 2.0
   55    58    59    61   3.62500 -1.0 2.0
   55    58    75    69   3.62500 -1.0 2.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    75   0.00000  1.0 1.0
   57    55    58    59   0.00000  1.0 1.0
   57    55    58    75   0.00000  1.0 1.0
   58    59    60    62   3.62500 -1.0 2.0
   58    59    60    64   3.62500 -1.0 2.0
   58    59    61    65   1.63200 -1.0 2.0
   59    58    75    69   3.62500 -1.0 2.0
   59    60    62    63   3.62500 -1.0 2.0
   59    60   -62    69   3.62500 -1.0 2.0
   59    60    64    71   1.63200 -1.0 2.0
   59    61    65    66   0.08050  1.0 3.0
   59    61    65    67   0.08050  1.0 3.0
   59    61    65    68   0.08050  1.0 3.0
   60    59    61    65   1.63200 -1.0 2.0
   60    62    69    70   3.62500 -1.0 2.0
   60    62    69    75   3.62500 -1.0 2.0
   60    64    71    72   0.08050  1.0 3.0
   60    64    71    73   0.08050  1.0 3.0
   60    64    71    74   0.08050  1.0 3.0
   62    60    64    71   1.63200 -1.0 2.0
   62    69   -75    58   3.62500 -1.0 2.0
   63    62    69    70   3.62500 -1.0 2.0
   63    62    69    75   3.62500 -1.0 2.0
   70    69    75    58   3.62500 -1.0 2.0
   75    58   -59    60   3.62500 -1.0 2.0
   75    58    59    61   3.62500 -1.0 2.0
   64    60    62    63   3.62500 -1.0 2.0
   64    60    62    69   3.62500 -1.0 2.0
   61    59    60    62   3.62500 -1.0 2.0
   61    59    60    64   3.62500 -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
   41    47    40    39   4.00000 -1.0 2.0
   43    42    41    40   1.10000 -1.0 2.0
   45    44    43    41   1.10000 -1.0 2.0
   46    52    45    43   4.00000 -1.0 2.0
   47    49    46    45   4.00000 -1.0 2.0
   46    48    47    40   1.10000 -1.0 2.0
   50    46    49    51   1.00000 -1.0 2.0
   52    53    51    49   4.00000 -1.0 2.0
   59    75    58    55   4.00000 -1.0 2.0
   60    61    59    58   4.00000 -1.0 2.0
   62    64    60    59   4.00000 -1.0 2.0
   69    63    62    60   1.10000 -1.0 2.0
   75    70    69    62   1.10000 -1.0 2.0
END
