* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    141    226     412
    1     0 S   NP   _N1_     1    29.04483    92.68598   -22.38168
    2     1 S   H    _HN1     2     1.02957    93.72389    30.65358
    3     1 S   H    _H1_     3     1.02839    18.88262   166.43866
    4     1 S   H    _H2_     4     1.02779   100.56874   -78.78912
    5     1 S   CT   _CA1     5     1.50106   129.05130   150.86226
    6     5 S   HC   _HA1     6     1.09574   105.24170    64.49707
    7     5 S   CO3  _C1_     7     1.53781   112.37060   -55.75631
    8     7 S   O2Z  _O11     8     1.26360   114.99483   -44.58936
    9     7 S   O2Z  _O12     9     1.26234   114.91792   134.62420
   10     5 S   CT   _CB1    10     1.53100   107.45707  -177.56683
   11    10 S   HC   HB11    11     1.09825   109.36052   -50.68007
   12    10 S   HC   HB12    12     1.09823   110.42786    65.88263
   13    10 S   CT   _CG1    13     1.53023   112.64626  -171.75690
   14    13 S   HC   HG11    14     1.09593   110.46859   -63.59862
   15    13 S   HC   HG12    15     1.09651   109.97476    55.64097
   16    13 S   C    _CD1    16     1.51793   112.28533   176.03015
   17    16 S   O    _OE1    17     1.22742   123.24150    -0.83157
   18    16 S   N    _N2_    18     1.38666   111.67879   179.15489
   19    18 S   H    _HN2    19     1.01594   119.09934     0.44587
   20    18 S   CT1  _CA2    20     1.46101   123.22936  -179.82983
   21    20 S   HC   _HA2    21     1.09571   109.11537   -12.88315
   22    20 S   C    _C2_    22     1.53458   108.70860  -127.97949
   23    22 S   O    _O2_    23     1.23023   122.12300  -148.17212
   24    20 S   CT   _CB2    32     1.53439   111.82848   109.55003
   25    24 S   HC   HB21    33     1.09655   109.54749    61.44768
   26    24 S   HC   HB22    34     1.09567   110.97825   178.80794
   27    22 S   N    _N3_    24     1.38478   113.43329    39.40507
   28    27 S   H    _HN3    25     1.01522   118.90011    -0.91300
   29    24 S   S    _SG2    35     1.82832   114.58157   -58.26837
   30    27 S   CT   _CA3    26     1.45456   123.55862   174.67340
   31    30 S   HC   HA31    27     1.09514   109.34314    22.13271
   32    30 S   HC   HA32    28     1.09495   107.09589   139.20139
   33    29 S   CT   _C6_    36     1.83160    99.80959   -70.23590
   34    33 S   HC   _H7_    37     1.09349   109.03770    56.31068
   35    33 S   HC   _H8_    38     1.09498   105.95776   -60.51598
   36    30 S   CO3  _C3_    29     1.52937   113.05419  -101.38536
   37    36 S   O2Z  _O31    30     1.26409   115.41363   -43.10712
   38    36 S   O2Z  _O32    31     1.26353   114.96772   137.78305
   39    33 S   CT   _C5_    39     1.54889   113.74311   178.46583
   40    39 S   CT   _C7_    40     1.55238   109.54806   179.55281
   41    40 S   HC   _H3_    41     1.10091   108.71371    62.64516
   42    39 S   CT   _C4_    71     1.53646   112.58357   -57.96723
   43    42 S   HC   _H4_    72     1.09477   111.98625    63.30894
   44    42 S   HC   _H5_    73     1.09483   111.36716   -58.51340
   45    42 S   HC   _H6_    74     1.09556   111.17926  -179.46332
   46    39 S   OH   _O36    75     1.43270   108.56167    61.70181
   47    46 S   HO   _H19    76     0.97331   107.38894   -55.41748
   48    40 S   CT   _C8_    42     1.53854   115.05600  -174.52689
   49    48 S   HC   _H9_    43     1.09362   111.75764    31.56063
   50    48 S   HC   _H10    44     1.09295   110.30542   -91.72120
   51    40 S   OS   _O35    53     1.44984   110.29849   -53.49640
   52    48 S   CA   _C9_    45     1.48842   100.48023   148.30150
   53    52 S   CA   _C14    46     1.39487   132.16432   164.48427
   54    53 S   CA   _C13    47     1.43496   116.29704  -177.64549
   55    53 S   NE   _N4_    66     1.41144   124.26946     0.06561
   56    54 S   CA   _C12    48     1.44436   124.09980    -2.82778
   57    56 S   OM   _O34    49     1.27917   125.41334   179.68659
   58    54 S   CO4  _C21    54     1.50726   116.16242   177.11317
   59    58 S   O    _O33    55     1.22501   123.13254   161.89521
   60    55 S   CT   _C22    67     1.46255   120.12736    25.81250
   61    60 S   HC   _H16    68     1.09454   110.96218   -91.33455
   62    60 S   HC   _H17    69     1.09701   112.10419   147.65269
   63    60 S   HC   _H18    70     1.09437   111.78386    31.67369
   64    56 S   CA   _C11    50     1.40910   114.87510     0.64589
   65    64 S   HA   _H11    51     1.08982   120.09914   179.78971
   66    58 S   CA   _C20    56     1.47696   118.75982   -17.74968
   67    52 S   CA   _C10    52     1.38521   107.26292   -15.74610
   68    66 S   CA   _C19    57     1.40207   119.65003  -162.69701
   69    68 S   HA   _H15    58     1.08682   121.03986     1.06054
   70    68 S   CA   _C18    59     1.39119   119.83530  -179.32363
   71    70 S   HA   _H14    60     1.08595   120.14402  -179.68348
   72    70 S   CA   _C17    61     1.39048   119.66502    -0.00000
   73    72 S   HA   _H13    62     1.08644   119.97830  -179.36357
   74    72 S   CA   _C16    63     1.39866   120.16374     0.38664
   75    74 S   HA   _H12    64     1.08709   117.53470  -178.64940
   76    66 S   CA   _C15    65     1.40016   118.67154    18.92271
  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
  13   5   4   2   1   1  14  15   8   7   3   2   1   3   1   9
   5   4   6  10  15  12  13   7   4   8   3   6   3   2   1   2
   1   8   1   7   4   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    48    51    42    43    44    45    46    47  
   35    39    40    42    46  
   39    40    42    46  
   37    38  
   38  
    0  
   40    41    48    49    50    52    67    51    42    43    44    45    46    47  
   41    48    49    50    52    53    64    67    51    42    43    44    45    46    47  
   48    49    50    52    67    51    42    46  
   43    44    45    46    47    48    51  
   44    45    46  
   45    46  
   46  
   47    48    51  
    0  
   49    50    52    53    54    64    67    51    55  
   50    52    53    67    51  
   52    53    67    51  
   52    53    56    64    65    67  
   53    54    56    64    65    67    58    76    55    60  
   54    56    57    64    67    58    59    66    74    76    55    60    61    62    63  
   56    57    64    65    67    58    59    66    68    76    55    60  
   60    61    62    63    56    58    66    67    68    72    74    75    76  
   57    64    65    67    58    59    66  
   64    65    67    58  
   59    66    68    69    70    74    76    64  
   66    68    76  
   61    62    63    66    74    76  
   62    63    76  
   63    76  
   76  
   65    67  
   67  
   68    69    70    71    72    74    75    76  
    0  
   69    70    71    72    73    74    76  
   70    71    72    76  
   71    72    73    74    75    76  
   72    73    74  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   56   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   58   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    42   268.000  1.529
   39    46   320.000  1.410
   40    41   340.000  1.090
   40    48   268.000  1.529
   40    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.510
   52    53   469.000  1.400
   52    67   469.000  1.400
   53    54   469.000  1.400
   53    55   481.000  1.340
   54    56   469.000  1.400
   54    58   310.000  1.470
   56    57   450.000  1.364
   56    64   469.000  1.400
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    51   450.000  1.364
   58    59   570.000  1.229
   58    66   310.000  1.470
   66    68   469.000  1.400
   66    76   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    55   481.000  1.340
   55    60   382.000  1.448
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    42    58.35000  112.70000
   33    39    46    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    48    58.35000  112.70000
   39    40    51    50.00000  109.50000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   39    46    47    55.00000  108.50000
   40    48    49    37.50000  110.70000
   40    48    50    37.50000  110.70000
   40    48    52    70.00000  112.17500
   40    51    67    75.00000  111.00000
   48    40    41    37.50000  110.70000
   48    52    53    70.00000  120.00000
   48    52    67    70.00000  120.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    55    70.00000  120.10000
   52    67    64    63.00000  120.00000
   52    67    51    70.00000  120.00000
   53    54    56    63.00000  120.00000
   53    54    58    60.00000  119.52600
   53    55    76    50.00000  129.00000
   53    55    60    50.00000  120.00000
   54    56    57    70.00000  120.00000
   54    56    64    63.00000  120.00000
   54    58    59    75.00000  123.78400
   54    58    66    65.00000  116.00000
   56    64    65    35.00000  120.00000
   56    64    67    63.00000  120.00000
   64    56    57    70.00000  120.00000
   64    67    51    70.00000  120.00000
   67    52    53    63.00000  120.00000
   67    64    65    35.00000  120.00000
   51    40    41    35.00000  109.50000
   51    40    48    50.00000  109.50000
   58    54    56    60.00000  119.52600
   58    66    68    60.00000  119.52600
   58    66    76    60.00000  119.52600
   66    58    59    75.00000  123.78400
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   66    76    74    63.00000  120.00000
   66    76    55    70.00000  120.10000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    55    70.00000  120.10000
   76    66    68    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    55    60    50.00000  120.00000
   55    53    54    70.00000  120.10000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   42    39    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    39    40    50.00000  109.50000
   46    39    42    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    48   0.56750  1.0 1.0
   33    39    40    48  -0.07550 -1.0 2.0
   33    39    40    48   0.20000  1.0 3.0
   33    39    40    51   0.62750  1.0 1.0
   33    39    40    51  -0.30950 -1.0 2.0
   33    39    40    51   0.27300  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45   0.15000  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   34    33    39    46   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   35    33    39    46   0.23400  1.0 3.0
   39    40    48    49   0.15000  1.0 3.0
   39    40    48    50   0.15000  1.0 3.0
   39    40    48    52  -0.03700  1.0 1.0
   39    40    48    52   0.37200 -1.0 2.0
   39    40    48    52  -0.47300  1.0 3.0
   39    40    51    67  -0.32850  1.0 1.0
   39    40    51    67  -0.35800 -1.0 2.0
   39    40    51    67   0.33950  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   40    39    46    47  -0.11600  1.0 1.0
   40    39    46    47  -0.09450 -1.0 2.0
   40    39    46    47   0.21250  1.0 3.0
   40    48    52    53   0.04150 -1.0 2.0
   40    48   -52    67   0.04150 -1.0 2.0
   41    40    48    49   0.15000  1.0 3.0
   41    40    48    50   0.15000  1.0 3.0
   41    40    48    52   0.43200  1.0 3.0
   41    40    51    67   0.08050  1.0 3.0
   48    40   -51    67  -0.32850  1.0 1.0
   48    40   -51    67  -0.35800 -1.0 2.0
   48    40   -51    67   0.33950  1.0 3.0
   48    52    53    54   3.62500 -1.0 2.0
   48    52    53    55   3.62500 -1.0 2.0
   48    52    67    64   3.62500 -1.0 2.0
   48    52   -67    51   3.62500 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    67   0.00000  1.0 1.0
   50    48    52    53   0.00000  1.0 1.0
   50    48    52    67   0.00000  1.0 1.0
   52    53    54    56   3.62500 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    55    76   0.17750 -1.0 2.0
   52    53    55    60  -1.00000  1.0 1.0
   52    53    55    60   1.25000 -1.0 2.0
   52    67   -51    40   1.63200 -1.0 2.0
   53    52    67    64   3.62500 -1.0 2.0
   53    52    67    51   3.62500 -1.0 2.0
   53    54    56    57   3.62500 -1.0 2.0
   53    54   -56    64   3.62500 -1.0 2.0
   53    54    58    59   1.05000 -1.0 2.0
   53    54    58    66   0.56600 -1.0 2.0
   53    55    60    61   0.00000  1.0 1.0
   53    55    60    62   0.00000  1.0 1.0
   53    55    60    63   0.00000  1.0 1.0
   54    53    55    76   0.17750 -1.0 2.0
   54    53    55    60  -1.00000  1.0 1.0
   54    53    55    60   1.25000 -1.0 2.0
   54    56    64    65   3.62500 -1.0 2.0
   54    56    64    67   3.62500 -1.0 2.0
   54    58    66    68   0.56600 -1.0 2.0
   54    58   -66    76   0.56600 -1.0 2.0
   56    54    58    59   1.05000 -1.0 2.0
   56    54    58    66   0.56600 -1.0 2.0
   56    64   -67    52   3.62500 -1.0 2.0
   56    64    67    51   3.62500 -1.0 2.0
   57    56    64    65   3.62500 -1.0 2.0
   57    56    64    67   3.62500 -1.0 2.0
   64    67    51    40   1.63200 -1.0 2.0
   65    64    67    52   3.62500 -1.0 2.0
   65    64    67    51   3.62500 -1.0 2.0
   67    52   -53    54   3.62500 -1.0 2.0
   67    52    53    55   3.62500 -1.0 2.0
   51    40    48    49   0.23400  1.0 3.0
   51    40    48    50   0.23400  1.0 3.0
   51    40   -48    52  -0.64350  1.0 1.0
   51    40   -48    52  -0.04200 -1.0 2.0
   51    40   -48    52   0.19800  1.0 3.0
   58    54    56    57   3.62500 -1.0 2.0
   58    54    56    64   3.62500 -1.0 2.0
   58    66    68    69   3.62500 -1.0 2.0
   58    66    68    70   3.62500 -1.0 2.0
   58    66    76    74   3.62500 -1.0 2.0
   58    66    76    55   3.62500 -1.0 2.0
   59    58    66    68   1.05000 -1.0 2.0
   59    58    66    76   1.05000 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68    70    72   3.62500 -1.0 2.0
   66    76   -55    53   0.17750 -1.0 2.0
   66    76    55    60  -1.00000  1.0 1.0
   66    76    55    60   1.25000 -1.0 2.0
   68    66    76    74   3.62500 -1.0 2.0
   68    66    76    55   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70   -72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74   -76    66   3.62500 -1.0 2.0
   72    74    76    55   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    55    53   0.17750 -1.0 2.0
   74    76    55    60  -1.00000  1.0 1.0
   74    76    55    60   1.25000 -1.0 2.0
   75    74    76    66   3.62500 -1.0 2.0
   75    74    76    55   3.62500 -1.0 2.0
   76    66    68    69   3.62500 -1.0 2.0
   76    66   -68    70   3.62500 -1.0 2.0
   76    55    60    61   0.00000  1.0 1.0
   76    55    60    62   0.00000  1.0 1.0
   76    55    60    63   0.00000  1.0 1.0
   55    53    54    56   3.62500 -1.0 2.0
   55    53   -54    58   3.62500 -1.0 2.0
   42    39    40    41   0.15000  1.0 3.0
   42    39    40    48   0.56750  1.0 1.0
   42    39    40    48  -0.07550 -1.0 2.0
   42    39    40    48   0.20000  1.0 3.0
   42    39    40    51   0.62750  1.0 1.0
   42    39    40    51  -0.30950 -1.0 2.0
   42    39    40    51   0.27300  1.0 3.0
   42    39    46    47  -0.11600  1.0 1.0
   42    39    46    47  -0.09450 -1.0 2.0
   42    39    46    47   0.21250  1.0 3.0
   46    39    40    41   0.23400  1.0 3.0
   46    39    40    48   0.86500  1.0 1.0
   46    39    40    48  -0.17500 -1.0 2.0
   46    39    40    48   0.20800  1.0 3.0
   46    39    40    51   3.69350  1.0 1.0
   46    39    40    51  -1.82950 -1.0 2.0
   46    39    42    43   0.23400  1.0 3.0
   46    39    42    44   0.23400  1.0 3.0
   46    39    42    45   0.23400  1.0 3.0
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
   53    67    52    48   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   56    58    54    53   4.00000 -1.0 2.0
   64    57    56    54   4.00000 -1.0 2.0
   67    65    64    56   1.10000 -1.0 2.0
   64    51    67    52   4.00000 -1.0 2.0
   54    66    58    59  10.50000 -1.0 2.0
   68    76    66    58   4.00000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    55    76    66   4.00000 -1.0 2.0
   60    53    55    76   1.00000 -1.0 2.0
END
