* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    129    215     383
    1     0 S   NP   _N1_     1    29.30205    96.13312   -18.80520
    2     1 S   H    _HN1     2     1.02972   105.08552    46.34754
    3     1 S   H    _H1_     3     1.02841    46.18422   145.61626
    4     1 S   H    _H2_     4     1.02781    64.78483   -57.16330
    5     1 S   CT   _CA1     5     1.50161   142.84155  -151.35794
    6     5 S   HC   _HA1     6     1.09538   105.35097    16.05104
    7     5 S   CO3  _C1_     7     1.53993   112.11295  -104.64443
    8     7 S   O2Z  _O11     8     1.26399   114.87619   -42.29143
    9     7 S   O2Z  _O12     9     1.26223   115.16940   136.77658
   10     5 S   CT   _CB1    10     1.53107   107.45246   134.57004
   11    10 S   HC   HB11    11     1.09815   110.05914   -43.65325
   12    10 S   HC   HB12    12     1.09853   110.13743    73.02368
   13    10 S   CT   _CG1    13     1.53098   112.55197  -164.55094
   14    13 S   HC   HG11    14     1.09370   110.55424   -47.54557
   15    13 S   HC   HG12    15     1.09581   110.38437    71.09452
   16    13 S   C    _CD1    16     1.51783   110.74199  -169.41255
   17    16 S   O    _OE1    17     1.22828   122.31492   -38.95896
   18    16 S   N    _N2_    18     1.38366   112.49463   141.52633
   19    18 S   H    _HN2    19     1.01534   118.93052     3.15449
   20    18 S   CT1  _CA2    20     1.46204   123.68287  -174.19120
   21    20 S   HC   _HA2    21     1.09728   109.09206   -19.03705
   22    20 S   C    _C2_    22     1.53481   108.48222  -134.83047
   23    22 S   O    _O2_    23     1.23020   122.26930  -149.34142
   24    20 S   CT   _CB2    32     1.53872   111.69577   102.96286
   25    24 S   HC   HB21    33     1.09329   110.13786    56.88285
   26    24 S   HC   HB22    34     1.09524   109.59967   175.50194
   27    22 S   N    _N3_    24     1.38524   113.43664    38.15637
   28    27 S   H    _HN3    25     1.01526   118.85550    -0.61230
   29    24 S   S    _SG2    35     1.83201   111.79839   -65.08391
   30    27 S   CT   _CA3    26     1.45423   123.45775   175.79034
   31    30 S   HC   HA31    27     1.09525   109.24174    24.06806
   32    30 S   HC   HA32    28     1.09498   107.10743   141.01932
   33    29 S   CT   _C21    36     1.85096   102.50685   165.92977
   34    33 S   OM   _O37    37     1.31596   111.50632    45.49408
   35    30 S   CO3  _C3_    29     1.52902   113.15113   -99.45668
   36    35 S   O2Z  _O31    30     1.26405   115.42645   -44.96492
   37    35 S   O2Z  _O32    31     1.26366   114.99867   136.03639
   38    33 S   CO4  _C20    38     1.53302   108.95010   -78.23655
   39    38 S   O    _O35    39     1.23432   122.56243   102.48219
   40    33 S   CT   _C22    50     1.53145   108.79563   163.23417
   41    40 S   HC   _H6_    51     1.10013   111.78411   -55.64453
   42    40 S   HC   _H7_    52     1.10089   112.13764  -175.25406
   43    38 S   CM   _C19    40     1.51548   118.56957   -78.60193
   44    43 S   CM   _C14    41     1.47920   121.06921   172.78096
   45    44 S   CO4  _C15    42     1.50574   112.47860   137.66765
   46    45 S   O    _O39    43     1.22294   124.50876  -132.27928
   47    44 S   CM   _C12    55     1.35567   129.17462   -45.53903
   48    45 S   CM   _C16    44     1.47967   113.45658    46.46868
   49    48 S   HC   _H5_    45     1.08219   118.81752   153.18417
   50    47 S   CO4  _C13    56     1.49335   122.37130    -1.68969
   51    50 S   O    _O34    57     1.22413   122.51475   -30.29277
   52    48 S   CM   _C17    46     1.33940   117.91761   -27.25765
   53    50 S   CA   _C8_    58     1.48570   117.12754   152.18982
   54    43 S   CM   _C18    47     1.35484   120.46445   -15.56993
   55    52 S   OH   _O38    53     1.38185   119.28603   178.69779
   56    55 S   HO   _H8_    54     0.97349   108.95465   178.17190
   57    53 S   CA   _C9_    59     1.39303   121.18639    14.12957
   58    54 S   CO4  _C23    48     1.49641   120.14058     3.58321
   59    58 S   O    _O36    49     1.23065   121.27537   164.57357
   60    57 S   CA   _C4_    60     1.40875   120.59179   179.82196
   61    60 S   HA   _H3_    61     1.09213   118.78305  -179.80617
   62    57 S   CO4  _C10    69     1.47218   120.90104     0.65790
   63    62 S   O    _O33    70     1.22160   123.11315  -175.60092
   64    60 S   CA   _C5_    62     1.41125   123.18474    -0.23323
   65    64 S   OM   _O42    63     1.27639   122.78308  -179.81762
   66    47 S   CO4  _C11    71     1.49039   121.93324  -175.58363
   67    66 S   O    _O40    72     1.22036   125.90025    35.89615
   68    64 S   CA   _C6_    64     1.40934   114.43877     0.24228
   69    68 S   HA   _H4_    65     1.09180   118.94993   179.63577
   70    53 S   CA   _C7_    66     1.39694   121.04496  -165.89328
   71    70 S   OH   _O41    67     1.36909   123.21105     1.55243
   72    71 S   HO   _H9_    68     0.97244   107.90689     7.06997
  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   9   5   4   3
  11   7   2   1   1  11   4   7   4   3  12  14   9   4  11   6
   3  10   4   5  12   4   2   1  11   1   1   9   4   5   2   5
   3   1   1   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    58    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    54    58    59    40    41    42  
   38    39    43    58    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    52    54    58    40    41    42    47  
   43    44    54    40  
   41    42    43    52    54    58    59  
   42    54    58    59  
   54    58    59  
   44    45    46    48    52    54    58    59    55    47    50    66  
   45    46    48    49    52    54    58    47    50    51    53    62    66    67  
   46    48    49    52    54    55    47    50    66  
   48    49    52    47  
   50    51    53    57    70    62    63    66    67    48    54  
   49    52    54    58    55    56  
   52    54    55  
   51    53    57    60    68    70    71    62    66    67  
   53    57    70    66  
   54    58    59    55    56  
   57    60    61    64    68    69    70    71    72    62    63    66  
   58    59    55    56  
   56    58  
    0  
   60    61    64    65    68    70    71    62    63    66    67  
   59  
    0  
   61    64    65    68    69    70    62    63    66  
   64    65    68    62  
   63    66    67    64    70  
   66    67  
   65    68    69    70    71  
   68    69    70  
   67  
    0  
   69    70    71    72  
   70    71  
   71    72  
   72  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   320.000  1.462
   43    44   380.000  1.444
   43    54   549.000  1.340
   44    45   320.000  1.462
   44    47   549.000  1.340
   45    46   570.000  1.229
   45    48   320.000  1.462
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    54   380.000  1.444
   52    55   510.000  1.338
   54    58   320.000  1.462
   58    59   570.000  1.229
   58    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   55    56   553.000  0.945
   47    50   320.000  1.462
   47    66   320.000  1.462
   50    51   570.000  1.229
   50    53   310.000  1.470
   53    57   469.000  1.400
   53    70   469.000  1.400
   57    60   469.000  1.400
   57    62   310.000  1.470
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    65   450.000  1.364
   64    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   62    63   570.000  1.229
   62    66   250.000  1.523
   66    67   570.000  1.229
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    65.00000  118.62400
   33    40    58    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    90.00000  108.74100
   38    43    44    65.00000  118.96000
   38    43    54    65.00000  118.96000
   43    38    39    80.00000  123.72100
   43    44    45    65.00000  118.96000
   43    44    47    70.00000  123.01800
   43    54    52    70.00000  123.01800
   43    54    58    65.00000  118.96000
   44    45    46    80.00000  123.72100
   44    45    48    65.00000  118.65900
   44    47    50    65.00000  118.96000
   44    47    66    65.00000  118.96000
   45    48    49    40.00000  117.72500
   45    48    52    65.00000  118.96000
   48    45    46    80.00000  123.72100
   48    52    54    70.00000  123.01800
   48    52    55    80.00000  121.38400
   52    48    49    35.00000  120.00000
   52    54    58    65.00000  118.96000
   52    55    56    70.00000  107.45700
   54    43    44    70.00000  123.01800
   54    58    59    80.00000  123.72100
   54    58    40    65.00000  118.62400
   58    40    41    35.00000  109.50000
   58    40    42    35.00000  109.50000
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    58    59    80.00000  120.40000
   42    40    41    33.00000  107.80000
   55    52    54    80.00000  121.38400
   47    44    45    65.00000  118.96000
   47    50    51    80.00000  123.72100
   47    50    53    65.00000  117.02400
   47    66    62    65.00000  116.00000
   47    66    67    80.00000  123.72100
   50    53    57    60.00000  119.52600
   50    53    70    60.00000  119.52600
   53    50    51    75.00000  123.78400
   53    57    60    63.00000  120.00000
   53    57    62    60.00000  119.52600
   53    70    68    63.00000  120.00000
   53    70    71    70.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    64    63.00000  120.00000
   57    62    63    75.00000  123.78400
   57    62    66    60.00000  117.28700
   60    64    65    70.00000  120.00000
   60    64    68    63.00000  120.00000
   64    60    61    35.00000  120.00000
   64    68    69    35.00000  120.00000
   64    68    70    63.00000  120.00000
   68    64    65    70.00000  120.00000
   68    70    71    70.00000  120.00000
   70    53    57    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  113.00000
   62    57    60    60.00000  119.52600
   62    66    67    80.00000  119.30300
   66    47    50    65.00000  115.30000
   66    62    63    80.00000  119.30300
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   29    33    40    58   0.56750  1.0 1.0
   29    33    40    58  -0.07550 -1.0 2.0
   29    33    40    58   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44  -0.33500  1.0 1.0
   33    38    43    44   1.06600 -1.0 2.0
   33    38    43    44  -0.14000  1.0 3.0
   33    38    43    54  -0.33500  1.0 1.0
   33    38    43    54   1.06600 -1.0 2.0
   33    38    43    54  -0.14000  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    43   0.65300  1.0 1.0
   34    33    38    43  -0.03850 -1.0 2.0
   34    33    38    43   0.33900  1.0 3.0
   34    33    40    58  -0.09450  1.0 1.0
   34    33    40    58  -1.12950 -1.0 2.0
   34    33    40    58   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.23400  1.0 3.0
   38    33    40    58   0.11950  1.0 1.0
   38    33    40    58   0.20300 -1.0 2.0
   38    33    40    58  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    43    44    45   1.08500 -1.0 2.0
   38    43    44    47  -0.18600  1.0 3.0
   38    43    54    52   7.00000 -1.0 2.0
   38    43   -54    58   7.00000 -1.0 2.0
   39    38    43    44   1.00000 -1.0 2.0
   39    38    43    54   1.00000 -1.0 2.0
   43    44    45    46   1.00000 -1.0 2.0
   43    44    45    48  -1.18350  1.0 1.0
   43    44    45    48   1.45950 -1.0 2.0
   43    44    47    50   7.00000 -1.0 2.0
   43    44    47    66   7.00000 -1.0 2.0
   43    54    58    59   1.00000 -1.0 2.0
   43    54    58    40  -0.33500  1.0 1.0
   43    54    58    40   1.06600 -1.0 2.0
   43    54    58    40  -0.14000  1.0 3.0
   44    43    54    52   7.00000 -1.0 2.0
   44    43    54    58   7.00000 -1.0 2.0
   44    45    48    49   0.93700 -1.0 2.0
   44    45   -48    52  -1.18350  1.0 1.0
   44    45   -48    52   1.45950 -1.0 2.0
   44    47    50    51   1.00000 -1.0 2.0
   44    47    50    53  -1.65800  1.0 1.0
   44    47    50    53   0.77650 -1.0 2.0
   44    47    66    62   0.50400  1.0 1.0
   44    47    66    62   1.60000 -1.0 2.0
   44    47    66    62  -0.01800  1.0 3.0
   44    47    66    67   1.00000 -1.0 2.0
   45    44    47    50   7.00000 -1.0 2.0
   45    44    47    66   7.00000 -1.0 2.0
   45    48    52    54   7.00000 -1.0 2.0
   45    48    52    55   7.00000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    52   1.00000 -1.0 2.0
   48    52   -54    43   0.28850  1.0 1.0
   48    52   -54    43   2.61350 -1.0 2.0
   48    52   -54    43   0.78400  1.0 3.0
   48    52    54    58  -0.18600  1.0 3.0
   48    52    55    56  -0.66100  1.0 1.0
   48    52    55    56   1.20850 -1.0 2.0
   48    52    55    56  -0.36000  1.0 3.0
   49    48    52    54   7.00000 -1.0 2.0
   49    48    52    55   7.00000 -1.0 2.0
   52    54    58    59   1.00000 -1.0 2.0
   52    54    58    40  -0.33500  1.0 1.0
   52    54    58    40   1.06600 -1.0 2.0
   52    54    58    40  -0.14000  1.0 3.0
   54    43   -44    45  -0.18600  1.0 3.0
   54    43    44    47   0.28850  1.0 1.0
   54    43    44    47   2.61350 -1.0 2.0
   54    43    44    47   0.78400  1.0 3.0
   54    52    55    56  -0.66100  1.0 1.0
   54    52    55    56   1.20850 -1.0 2.0
   54    52    55    56  -0.36000  1.0 3.0
   54    58   -40    33   0.65300  1.0 1.0
   54    58   -40    33  -0.03850 -1.0 2.0
   54    58   -40    33   0.33900  1.0 3.0
   54    58    40    41   0.00000  1.0 1.0
   54    58    40    42   0.00000  1.0 1.0
   59    58    40    33   0.30150 -1.0 2.0
   59    58    40    41   0.00000  1.0 1.0
   59    58    40    42   0.00000  1.0 1.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    43   0.65300  1.0 1.0
   40    33   -38    43  -0.03850 -1.0 2.0
   40    33   -38    43   0.33900  1.0 3.0
   55    52    54    43   0.50950  1.0 1.0
   55    52    54    43   0.56650 -1.0 2.0
   55    52    54    43   0.34050  1.0 3.0
   55    52    54    58   1.08500 -1.0 2.0
   47    44    45    46   1.00000 -1.0 2.0
   47    44    45    48  -1.18350  1.0 1.0
   47    44    45    48   1.45950 -1.0 2.0
   47    50    53    57  -0.11500  1.0 1.0
   47    50    53    57   1.10450 -1.0 2.0
   47    50    53    57  -0.48050  1.0 3.0
   47    50    53    70  -0.11500  1.0 1.0
   47    50    53    70   1.10450 -1.0 2.0
   47    50    53    70  -0.48050  1.0 3.0
   50    47    66    62   1.50000 -1.0 2.0
   50    47    66    67   2.50000 -1.0 2.0
   50    53    57    60   3.62500 -1.0 2.0
   50    53   -57    62   3.62500 -1.0 2.0
   50    53    70    68   3.62500 -1.0 2.0
   50    53    70    71   3.62500 -1.0 2.0
   51    50    53    57   1.05000 -1.0 2.0
   51    50    53    70   1.05000 -1.0 2.0
   53    57    60    61   3.62500 -1.0 2.0
   53    57    60    64   3.62500 -1.0 2.0
   53    57    62    63   1.05000 -1.0 2.0
   53    57    62    66   0.56600 -1.0 2.0
   53    70    71    72   0.84100 -1.0 2.0
   57    53    70    68   3.62500 -1.0 2.0
   57    53    70    71   3.62500 -1.0 2.0
   57    60    64    65   3.62500 -1.0 2.0
   57    60   -64    68   3.62500 -1.0 2.0
   57    62   -66    47   0.43900  1.0 1.0
   57    62   -66    47  -0.18150 -1.0 2.0
   57    62   -66    47  -0.03650  1.0 3.0
   57    62    66    67   0.03000  1.0 1.0
   57    62    66    67   0.58800 -1.0 2.0
   57    62    66    67   0.15550  1.0 3.0
   60    57    62    63   1.05000 -1.0 2.0
   60    57    62    66   0.56600 -1.0 2.0
   60    64    68    69   3.62500 -1.0 2.0
   60    64    68    70   3.62500 -1.0 2.0
   61    60    64    65   3.62500 -1.0 2.0
   61    60    64    68   3.62500 -1.0 2.0
   64    68   -70    53   3.62500 -1.0 2.0
   64    68    70    71   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    70   3.62500 -1.0 2.0
   68    70    71    72   0.84100 -1.0 2.0
   69    68    70    53   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   70    53   -57    60   3.62500 -1.0 2.0
   70    53    57    62   3.62500 -1.0 2.0
   62    57    60    61   3.62500 -1.0 2.0
   62    57    60    64   3.62500 -1.0 2.0
   63    62    66    47   0.03000  1.0 1.0
   63    62    66    47   0.58800 -1.0 2.0
   63    62    66    47   0.15550  1.0 3.0
   63    62    66    67   0.06100 -1.0 2.0
   66    47    50    51   2.50000 -1.0 2.0
   66    47   -50    53   1.50000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   38    44    43    54   1.10000 -1.0 2.0
   43    45    44    47   1.10000 -1.0 2.0
   44    48    45    46  10.50000 -1.0 2.0
   45    49    48    52   1.10000 -1.0 2.0
   54    55    52    48   1.10000 -1.0 2.0
   52    58    54    43   1.10000 -1.0 2.0
   54    40    58    59  10.50000 -1.0 2.0
   50    66    47    44   1.10000 -1.0 2.0
   47    53    50    51  10.50000 -1.0 2.0
   57    70    53    50   4.00000 -1.0 2.0
   60    62    57    53   4.00000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   68    65    64    60   4.00000 -1.0 2.0
   70    69    68    64   1.10000 -1.0 2.0
   68    71    70    53   4.00000 -1.0 2.0
   57    66    62    63  10.50000 -1.0 2.0
   47    62    66    67  10.50000 -1.0 2.0
END
