* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    130    205     385
    1     0 S   NP   _N1_     1    29.07117    93.53479   -22.85284
    2     1 S   H    _HN1     2     1.02834    22.96546   173.88320
    3     1 S   H    _H1_     3     1.02778   102.38314   -79.30238
    4     1 S   H    _H2_     4     1.02962    88.41313    29.10625
    5     1 S   CT   _CA1     5     1.50126   131.55388   145.25628
    6     5 S   HC   _HA1     6     1.09576   105.22473    70.61544
    7     5 S   CO3  _C1_     7     1.53775   112.40929   -49.56104
    8     7 S   O2Z  _O11     8     1.26355   115.00688   -43.45979
    9     7 S   O2Z  _O12     9     1.26242   114.91537   135.70030
   10     5 S   CT   _CB1    10     1.53076   107.40590  -171.51839
   11    10 S   HC   HB11    11     1.09830   109.26639   -51.12886
   12    10 S   HC   HB12    12     1.09826   110.43174    65.37565
   13    10 S   CT   _CG1    13     1.53028   112.73213  -172.27473
   14    13 S   HC   HG11    14     1.09591   110.43458   -64.42811
   15    13 S   HC   HG12    15     1.09647   110.03527    54.86120
   16    13 S   C    _CD1    16     1.51761   112.20014   175.11108
   17    16 S   O    _OE1    17     1.22705   123.18320    -3.06944
   18    16 S   N    _N2_    18     1.38616   111.78157   177.24487
   19    18 S   H    _HN2    19     1.01587   119.09533     0.58013
   20    18 S   CT1  _CA2    20     1.46087   123.18562   179.87180
   21    20 S   HC   _HA2    21     1.09467   109.00220   -11.31634
   22    20 S   C    _C2_    22     1.53302   108.32766  -126.05354
   23    22 S   O    _O2_    23     1.22990   122.36265  -143.36796
   24    20 S   CT   _CB2    32     1.53411   111.83218   111.17726
   25    24 S   HC   HB21    33     1.09651   109.53912    58.00101
   26    24 S   HC   HB22    34     1.09462   111.10385   175.34958
   27    22 S   N    _N3_    24     1.38545   113.19972    44.13551
   28    27 S   H    _HN3    25     1.01513   118.97596    -0.81565
   29    24 S   S    _SG2    35     1.83058   113.96784   -61.36650
   30    27 S   CT   _CA3    26     1.45409   123.23617   174.35309
   31    30 S   HC   HA31    27     1.09535   108.99453    28.91345
   32    30 S   HC   HA32    28     1.09485   107.17990   145.94829
   33    29 S   CT   _C15    36     1.84215   100.42498   -73.62391
   34    33 S   HC   _H4_    37     1.09425   107.31646    35.99410
   35    30 S   CO3  _C3_    29     1.52962   113.32533   -94.32791
   36    35 S   O2Z  _O31    30     1.26380   115.54295   -39.91987
   37    35 S   O2Z  _O32    31     1.26374   114.87314   141.02179
   38    33 S   CA   _C16    38     1.52080   109.93671   152.55617
   39    33 S   CT   _C14    50     1.53593   110.23969   -81.79830
   40    39 S   HC   _H11    51     1.09669   112.05657    52.40068
   41    39 S   HC   _H12    52     1.09640   112.46866   -67.10651
   42    38 S   CA   _C17    39     1.40511   119.37164  -110.17849
   43    42 S   HA   _H13    40     1.08705   120.35840     0.14265
   44    39 S   CO4  _C13    53     1.51012   110.78812   171.94709
   45    44 S   O    _O36    54     1.22348   123.95899   107.77629
   46    42 S   CA   _C18    41     1.39529   120.89544  -179.88809
   47    46 S   HA   _H14    42     1.08607   119.82301   179.91377
   48    44 S   OS   _O35    55     1.36253   109.59933   -71.24213
   49    46 S   CA   _C19    43     1.39026   119.56620    -0.13562
   50    48 S   CT   _C11    56     1.44279   116.90101   175.60939
   51    50 S   HC   _H3_    57     1.09712   109.96979   -40.77081
   52    49 S   CA   _C20    44     1.39199   120.70169    -0.05935
   53    52 S   HA   _H15    45     1.08600   120.98098  -179.83449
   54    49 S   OH   _O37    48     1.36613   118.21350  -179.97202
   55    54 S   HO   _H17    49     0.97236   108.52568   179.90309
   56    50 S   CO3  _C12    58     1.53638   109.45520    81.27506
   57    56 S   O2Z  _O34    59     1.26335   116.19842    34.64868
   58    56 S   O2Z  _O33    60     1.26500   114.44315  -145.81488
   59    50 S   CT   _C10    61     1.53079   108.51461  -162.61498
   60    59 S   HC   _H9_    62     1.09825   110.08673   -53.99409
   61    59 S   HC   _H10    63     1.09783   110.75287  -171.12015
   62    38 S   CA   _C21    46     1.40477   122.15599    69.61640
   63    62 S   HA   _H16    47     1.08710   120.59073    -0.36369
   64    59 S   CA   _C9_    64     1.51211   112.26773    67.61487
   65    64 S   CA   _C4_    65     1.40238   120.49256  -108.59361
   66    65 S   HA   _H5_    66     1.08752   120.50688    -0.35277
   67    65 S   CA   _C5_    67     1.39561   120.49945   179.60534
   68    67 S   HA   _H6_    68     1.08644   119.76190   180.00000
   69    67 S   CA   _C6_    69     1.39135   119.64407    -0.15195
   70    69 S   CA   _C7_    70     1.39265   120.73435     0.18767
   71    70 S   HA   _H7_    71     1.08586   121.01768  -180.00000
   72    69 S   OH   _O38    74     1.36637   118.26068  -179.70195
   73    72 S   HO   _H18    75     0.97218   108.49132  -179.95154
   74    64 S   CA   _C8_    72     1.40271   120.47999    71.04331
   75    74 S   HA   _H8_    73     1.08736   120.21132     0.44499
  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
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3   9
   6  10   7   5   3   2   1   6   2   1   9   4   3   1   1   9
   8   4   7   3   6   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    62    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    62    63    39    40    41    44    45    48  
   38    42    62    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    53    62    63    39    40    41    44  
   40    41    44    45    48    50    42    62  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    62    63    54  
   46    47    49    62  
   45    48    50    51    56    59  
   48    50  
   47    49    52    53    62    54    55  
   49    52    54  
   50    51    56    57    58    59    60    61    64  
   52    53    62    63    54    55  
   51    56    57    58    59    60    61    64    65    74  
   56    57    58    59    60    61    64  
   53    62    63    54    55  
   62    63    54  
   55    62  
    0  
   57    58    59    60    61    64  
   58    59  
   59  
   60    61    64    65    66    67    70    74    75  
   61    64    65    74  
   64    65    74  
   63  
    0  
   65    66    67    68    69    70    71    74    75  
   66    67    68    69    70    74    75    72  
   67    68    69    74  
   68    69    70    71    74    72    73  
   69    70    72  
   70    71    74    75    72    73  
   71    74    75    72    73  
   74    75    72  
   73    74  
    0  
   75  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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
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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    62   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    54   450.000  1.364
   52    53   367.000  1.080
   52    62   469.000  1.400
   62    63   367.000  1.080
   54    55   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    56   317.000  1.522
   50    59   268.000  1.529
   56    57   656.000  1.250
   56    58   656.000  1.250
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   317.000  1.510
   64    65   469.000  1.400
   64    74   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   469.000  1.400
   69    72   450.000  1.364
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    75   367.000  1.080
   72    73   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    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    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    62    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    62    52    63.00000  120.00000
   38    62    63    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    54    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    62    63.00000  120.00000
   49    54    55    35.00000  113.00000
   52    62    63    35.00000  120.00000
   62    38    42    63.00000  120.00000
   62    52    53    35.00000  120.00000
   54    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    56    85.00000  109.63000
   48    50    59    50.00000  109.50000
   50    56    57    70.00000  117.00000
   50    56    58    70.00000  117.00000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    64    70.00000  112.17500
   56    50    51    35.00000  109.50000
   58    56    57    80.00000  126.00000
   59    50    51    37.50000  110.70000
   59    50    56    70.00000  109.69300
   59    64    65    70.00000  120.00000
   59    64    74    70.00000  120.00000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   64    65    66    35.00000  120.00000
   64    65    67    63.00000  120.00000
   64    74    70    63.00000  120.00000
   64    74    75    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    63.00000  120.00000
   67    69    72    70.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    71    35.00000  120.00000
   69    70    74    63.00000  120.00000
   69    72    73    35.00000  113.00000
   70    74    75    35.00000  120.00000
   74    64    65    63.00000  120.00000
   74    70    71    35.00000  120.00000
   72    69    70    70.00000  120.00000
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   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    62  -0.16000  1.0 1.0
   29    33    38    62  -0.03200 -1.0 2.0
   29    33    38    62   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    62    52   3.62500 -1.0 2.0
   33    38    62    63   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    62   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    62    52   3.62500 -1.0 2.0
   42    38    62    63   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    54   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    53   3.62500 -1.0 2.0
   46    49    52    62   3.62500 -1.0 2.0
   46    49    54    55   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    54   3.62500 -1.0 2.0
   49    52   -62    38   3.62500 -1.0 2.0
   49    52    62    63   3.62500 -1.0 2.0
   52    49    54    55   0.84100 -1.0 2.0
   53    52    62    38   3.62500 -1.0 2.0
   53    52    62    63   3.62500 -1.0 2.0
   62    38    42    43   3.62500 -1.0 2.0
   62    38   -42    46   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    62   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    62   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    56  -1.80650  1.0 1.0
   44    48    50    56   0.63900 -1.0 2.0
   44    48    50    56   0.03650  1.0 3.0
   44    48    50    59  -0.25900  1.0 1.0
   44    48    50    59  -0.47000 -1.0 2.0
   44    48    50    59   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    56    57   0.30150 -1.0 2.0
   48    50    56    58   0.30150 -1.0 2.0
   48    50    59    60   0.23400  1.0 3.0
   48    50    59    61   0.23400  1.0 3.0
   48    50    59    64  -0.64350  1.0 1.0
   48    50    59    64  -0.04200 -1.0 2.0
   48    50    59    64   0.19800  1.0 3.0
   50    59    64    65   0.04150 -1.0 2.0
   50    59    64    74   0.04150 -1.0 2.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    58   0.00000  1.0 1.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    61   0.15000  1.0 3.0
   51    50    59    64   0.43200  1.0 3.0
   56    50    59    60  -0.11250  1.0 3.0
   56    50    59    61  -0.11250  1.0 3.0
   56    50    59    64  -2.95950  1.0 1.0
   56    50    59    64   0.02300  1.0 3.0
   59    50    56    57   0.41150 -1.0 2.0
   59    50    56    58   0.41150 -1.0 2.0
   59    64    65    66   3.62500 -1.0 2.0
   59    64    65    67   3.62500 -1.0 2.0
   59    64    74    70   3.62500 -1.0 2.0
   59    64    74    75   3.62500 -1.0 2.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    74   0.00000  1.0 1.0
   61    59    64    65   0.00000  1.0 1.0
   61    59    64    74   0.00000  1.0 1.0
   64    65    67    68   3.62500 -1.0 2.0
   64    65    67    69   3.62500 -1.0 2.0
   65    64    74    70   3.62500 -1.0 2.0
   65    64    74    75   3.62500 -1.0 2.0
   65    67   -69    70   3.62500 -1.0 2.0
   65    67    69    72   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
   67    69    70    71   3.62500 -1.0 2.0
   67    69    70    74   3.62500 -1.0 2.0
   67    69    72    73   0.84100 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    72   3.62500 -1.0 2.0
   69    70   -74    64   3.62500 -1.0 2.0
   69    70    74    75   3.62500 -1.0 2.0
   70    69    72    73   0.84100 -1.0 2.0
   71    70    74    64   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   74    64    65    66   3.62500 -1.0 2.0
   74    64   -65    67   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    74   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    62    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    54    49    46   4.00000 -1.0 2.0
   62    53    52    49   1.10000 -1.0 2.0
   52    63    62    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   57    50    56    58  10.50000 -1.0 2.0
   65    74    64    59   4.00000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   70    72    69    67   4.00000 -1.0 2.0
   74    71    70    69   1.10000 -1.0 2.0
   70    75    74    64   1.10000 -1.0 2.0
END
