* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    125    197     367
    1     0 S   NP   _N1_     1    29.00759    96.34597   -23.97469
    2     1 S   H    _HN1     2     1.02818    39.28332   175.27354
    3     1 S   H    _H1_     3     1.02807   118.85859  -101.56545
    4     1 S   H    _H2_     4     1.02930    67.82781    -2.01246
    5     1 S   CT   _CA1     5     1.50166   126.60486    97.57353
    6     5 S   HC   _HA1     6     1.09567   105.05052   100.80594
    7     5 S   CO3  _C1_     7     1.53738   112.59938   -19.30157
    8     7 S   O2Z  _O11     8     1.26407   114.94188   -37.43152
    9     7 S   O2Z  _O12     9     1.26216   114.95948   141.36192
   10     5 S   CT   _CB1    10     1.53015   107.37644  -141.11149
   11    10 S   HC   HB11    11     1.09856   109.32815   -46.76048
   12    10 S   HC   HB12    12     1.09796   110.49819    69.81656
   13    10 S   CT   _CG1    13     1.53061   112.71579  -167.56267
   14    13 S   HC   HG11    14     1.09387   110.98429   -71.09908
   15    13 S   HC   HG12    15     1.09641   109.55376    48.02348
   16    13 S   C    _CD1    16     1.51803   111.13084   168.73547
   17    16 S   O    _OE1    17     1.22804   122.80292    27.58696
   18    16 S   N    _N2_    18     1.38557   112.26589  -152.27800
   19    18 S   H    _HN2    19     1.01612   119.02275    -1.85013
   20    18 S   CT1  _CA2    20     1.46287   123.33214   172.15803
   21    20 S   HC   _HA2    21     1.09746   109.38167     3.30334
   22    20 S   C    _C2_    22     1.53606   108.13602  -111.82065
   23    22 S   O    _O2_    23     1.23033   122.35686  -147.34950
   24    20 S   CT   _CB2    32     1.53194   111.78240   125.65785
   25    24 S   HC   HB21    33     1.09382   110.14081    56.00110
   26    24 S   HC   HB22    34     1.09514   110.42508   174.90388
   27    22 S   N    _N3_    24     1.38362   113.56062    40.06016
   28    27 S   H    _HN3    25     1.01563   119.50685    -3.13912
   29    24 S   S    _SG2    35     1.82328   110.90446   -65.82740
   30    27 S   CT   _CA3    26     1.45256   123.47163   177.44503
   31    30 S   HC   HA31    27     1.09541   107.52805   -65.05412
   32    30 S   HC   HA32    28     1.09551   108.00473    51.44182
   33    29 S   CT   _C20    36     1.81761    99.91567   167.79434
   34    33 S   F    F1__    37     1.36014   108.70718   156.97503
   35    33 S   F    F2__    38     1.36311   109.54038    42.52100
   36    30 S   CO3  _C3_    29     1.53025   113.92713   173.44635
   37    36 S   O2Z  _O31    30     1.26411   116.08109     0.28667
   38    36 S   O2Z  _O32    31     1.26420   114.42918  -179.67254
   39    33 S   CT   _C19    39     1.53707   115.27025   -79.65525
   40    39 S   HC   _H12    40     1.09551   110.02846  -170.39524
   41    39 S   HC   _H13    41     1.09234   107.59704    77.45698
   42    39 S   N    _N5_    42     1.49152   115.83066   -46.94747
   43    42 S   CA   _C13    43     1.45003   116.89592   -60.39250
   44    42 S   CDS  _C12    69     1.41176   121.70087   120.32173
   45    44 S   SD   _S1_    70     1.69160   126.75081    -4.72953
   46    43 S   CA   _C18    44     1.40846   119.70377   -36.55101
   47    46 S   HA   _H11    45     1.08632   121.50005    -1.67433
   48    46 S   CA   _C17    46     1.39820   121.78921  -179.78878
   49    48 S   HA   _H10    47     1.08697   119.29325   179.54158
   50    48 S   CA   _C16    48     1.38782   119.79060     0.15066
   51    50 S   Cl   Cl1_    49     1.72091   119.93071   179.54500
   52    50 S   CA   _C15    50     1.39070   120.12903    -0.37062
   53    52 S   HA   _H9_    51     1.08796   119.34278   179.38611
   54    43 S   CA   _C14    52     1.41274   122.99629   142.87213
   55    54 S   CD   _C10    53     1.49081   122.59817    -1.59924
   56    55 S   CA   _C8_    54     1.48930   119.12436  -132.86074
   57    55 S   NI   _N4_    65     1.28994   123.48454    46.81170
   58    56 S   CA   _C9_    55     1.39886   120.37798    43.60965
   59    58 S   HA   _H6_    56     1.08599   121.35129    -1.23701
   60    57 S   CT   _C11    66     1.45390   117.47359    -1.95204
   61    60 S   HC   _H7_    67     1.09582   108.56410   165.85737
   62    60 S   HC   _H8_    68     1.09615   113.24136    48.63356
   63    58 S   CA   _C4_    57     1.39648   119.85210   177.78760
   64    63 S   HA   _H3_    58     1.08657   119.85147  -179.58129
   65    63 S   CA   _C5_    59     1.39546   120.27119     0.01978
   66    65 S   HA   _H4_    60     1.08625   119.98305  -179.84677
   67    65 S   CA   _C6_    61     1.39337   120.02160     0.09691
   68    67 S   HA   _H5_    62     1.08578   120.34868   179.94405
   69    56 S   CA   _C7_    63     1.39717   120.14082  -138.61807
   70    69 S   F    F3__    64     1.34101   120.69281     3.24015
  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
   8   5   4   2   1   1   9   4   3  13  14   8   4   8   4   6
   3   5   3   5   2   6  11  11   5   8   4   2   1   1   6   3
   5   3   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    46    54    60    44    45  
   41    42    43    44  
   42    43    44  
   43    46    47    48    52    54    55    57    60    61    62    44    45  
   46    47    48    49    50    52    53    54    55    56    57    60    44    45  
   45    46    54    55    57    60    61    62  
   57    60    61    62  
   47    48    49    50    51    52    54    55  
   48    49    50    54  
   49    50    51    52    53    54  
   50    51    52  
   51    52    53    54    55  
   52    53    54  
   53    54    55    56    57  
   54    55  
   55    56    58    69    57    60  
   56    58    59    63    67    69    70    57    60    61    62  
   58    59    63    64    65    67    68    69    70    57    60  
   60    61    62    58    69  
   59    63    64    65    66    67    69    70  
   63    64    65    69  
   61    62  
   62  
    0  
   64    65    66    67    68    69  
   65    66    67  
   66    67    68    69    70  
   67    68    69  
   68    69    70  
   69    70  
   70  
    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  -0.175000   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   3.2500   0.0620   0.111600   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   0.085900   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.154200   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.598700   2.0020   1.7750   0.023028004  -0.852763146
   45   4.1000   0.3950  -0.476200   2.3050   2.0500   0.025682759  -1.666211680
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.004400   2.5000   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.380900   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0700   0.004400   2.5000   1.7750   0.001000000  -0.843144165
   57   3.2800   0.1700  -0.609900   1.8540   1.6400   0.005000000   0.000000000
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.100200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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
   69   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   70   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
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   367.000  1.332
   33    35   367.000  1.332
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   337.000  1.449
   42    43   360.000  1.404
   42    44   575.000  1.347
   43    46   469.000  1.400
   43    54   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   300.000  1.725
   50    52   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   305.000  1.466
   55    56   305.000  1.466
   55    57   500.000  1.261
   56    58   469.000  1.400
   56    69   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   420.000  1.354
   57    60   315.000  1.435
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    44   285.000  1.501
   44    45   340.000  1.659
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    90.00000  110.13500
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    70.00000  110.72300
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    42    43    70.00000  121.06000
   39    42    44    70.00000  120.09200
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    46    70.00000  119.01900
   42    43    54    70.00000  119.01900
   42    44    60    75.00000  115.32700
   42    44    45    70.00000  124.36000
   43    46    47    35.00000  120.00000
   43    46    48    63.00000  120.00000
   43    54    52    63.00000  120.00000
   43    54    55    60.00000  121.09900
   46    48    49    35.00000  120.00000
   46    48    50    63.00000  120.00000
   48    46    47    35.00000  120.00000
   48    50    51    75.00000  120.00000
   48    50    52    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    54    63.00000  120.00000
   52    50    51    75.00000  120.00000
   52    54    55    60.00000  121.09900
   54    43    46    63.00000  120.00000
   54    52    53    35.00000  120.00000
   54    55    56    65.00000  125.00000
   54    55    57    65.00000  124.33800
   55    56    58    60.00000  118.70000
   55    56    69    60.00000  118.70000
   55    57    60    70.00000  113.48600
   56    58    59    35.00000  120.00000
   56    58    63    63.00000  120.00000
   56    69    67    63.00000  120.00000
   56    69    70    80.00000  120.00000
   58    63    64    35.00000  120.00000
   58    63    65    63.00000  120.00000
   63    58    59    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    80.00000  120.00000
   69    56    58    63.00000  120.00000
   69    67    68    35.00000  120.00000
   57    55    56    65.00000  125.00000
   57    60    61    50.00000  110.29200
   57    60    62    50.00000  110.29200
   57    60    44    85.00000  103.73000
   60    44    45    65.00000  123.03400
   62    60    61    33.00000  107.80000
   44    42    43    70.00000  121.96500
   44    60    61    45.00000  109.11000
   44    60    62    45.00000  109.11000
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   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  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   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.36200 -1.0 2.0
   33    39    42    44  -0.43950  1.0 1.0
   33    39    42    44  -0.08100 -1.0 2.0
   33    39    42    44   0.03350  1.0 3.0
   34    33    39    40   0.22100  1.0 3.0
   34    33    39    41   0.22100  1.0 3.0
   34    33    39    42   0.56750  1.0 1.0
   34    33    39    42  -0.07550 -1.0 2.0
   34    33    39    42   0.20000  1.0 3.0
   35    33    39    40   0.22100  1.0 3.0
   35    33    39    41   0.22100  1.0 3.0
   35    33    39    42   0.56750  1.0 1.0
   35    33    39    42  -0.07550 -1.0 2.0
   35    33    39    42   0.20000  1.0 3.0
   39    42    43    46   0.81400  1.0 1.0
   39    42    43    46   1.55550 -1.0 2.0
   39    42    43    54   0.81400  1.0 1.0
   39    42    43    54   1.55550 -1.0 2.0
   39    42    44    60   1.49850  1.0 1.0
   39    42    44    60   1.53950 -1.0 2.0
   39    42    44    45   3.39850 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    44   0.00000  1.0 1.0
   42    43    46    47   3.62500 -1.0 2.0
   42    43    46    48   3.62500 -1.0 2.0
   42    43    54    52   3.62500 -1.0 2.0
   42    43    54    55   3.62500 -1.0 2.0
   43    42    44    60   0.76000  1.0 1.0
   43    42    44    60   4.11600 -1.0 2.0
   43    42    44    45   2.00000 -1.0 2.0
   43    46    48    49   3.62500 -1.0 2.0
   43    46    48    50   3.62500 -1.0 2.0
   43    54    55    56   0.30050 -1.0 2.0
   43    54    55    56   0.16600  1.0 3.0
   43    54    55    57   1.02250 -1.0 2.0
   46    43    54    52   3.62500 -1.0 2.0
   46    43    54    55   3.62500 -1.0 2.0
   46    48    50    51   3.62500 -1.0 2.0
   46    48   -50    52   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    50    52    53   3.62500 -1.0 2.0
   48    50    52    54   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    52   -54    43   3.62500 -1.0 2.0
   50    52    54    55   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    54   3.62500 -1.0 2.0
   52    54    55    56   0.30050 -1.0 2.0
   52    54    55    56   0.16600  1.0 3.0
   52    54    55    57   1.02250 -1.0 2.0
   53    52    54    43   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   54    43    46    47   3.62500 -1.0 2.0
   54    43   -46    48   3.62500 -1.0 2.0
   54    55    56    58   0.30050 -1.0 2.0
   54    55    56    58   0.16600  1.0 3.0
   54    55    56    69   0.30050 -1.0 2.0
   54    55    56    69   0.16600  1.0 3.0
   54    55    57    60   6.00000 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    63   3.62500 -1.0 2.0
   55    56    69    67   3.62500 -1.0 2.0
   55    56    69    70   3.62500 -1.0 2.0
   55    57    60    61  -0.15000  1.0 3.0
   55    57    60    62  -0.15000  1.0 3.0
   55    57    60    44  -0.12500  1.0 1.0
   55    57    60    44  -0.12500 -1.0 2.0
   55    57    60    44   0.25000  1.0 3.0
   56    55    57    60   6.00000 -1.0 2.0
   56    58    63    64   3.62500 -1.0 2.0
   56    58    63    65   3.62500 -1.0 2.0
   58    56    69    67   3.62500 -1.0 2.0
   58    56    69    70   3.62500 -1.0 2.0
   58    63    65    66   3.62500 -1.0 2.0
   58    63   -65    67   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   59    58    63    65   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65    67    69   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67   -69    56   3.62500 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   68    67    69    56   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   69    56    58    59   3.62500 -1.0 2.0
   69    56   -58    63   3.62500 -1.0 2.0
   57    55    56    58   1.02250 -1.0 2.0
   57    55    56    69   1.02250 -1.0 2.0
   57    60    44    42   0.00000  1.0 1.0
   57    60    44    45   0.00000  1.0 1.0
   61    60    44    42   0.00000  1.0 1.0
   61    60    44    45   0.00000  1.0 1.0
   62    60    44    42   0.00000  1.0 1.0
   62    60    44    45   0.00000  1.0 1.0
   44    42    43    46   1.00100  1.0 1.0
   44    42    43    46   0.85050 -1.0 2.0
   44    42    43    54   1.00100  1.0 1.0
   44    42    43    54   0.85050 -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
   43    44    42    39   1.00000 -1.0 2.0
   46    54    43    42   4.00000 -1.0 2.0
   48    47    46    43   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   52    51    50    48   4.00000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   52    55    54    43   4.00000 -1.0 2.0
   54    56    55    57  10.50000 -1.0 2.0
   58    69    56    55   4.00000 -1.0 2.0
   63    59    58    56   1.10000 -1.0 2.0
   65    64    63    58   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   67    70    69    56   4.00000 -1.0 2.0
   42    60    44    45  10.50000 -1.0 2.0
END
