* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    140    219     405
    1     0 S   NP   _N1_     1    29.23523    90.31521   -21.17582
    2     1 S   H    _HN1     2     1.02798    89.97012   -86.04833
    3     1 S   H    _H1_     3     1.02983   113.70292    23.72304
    4     1 S   H    _H2_     4     1.02822    17.96224    95.18070
    5     1 S   CT   _CA1     5     1.50310   120.20170   157.80917
    6     5 S   HC   _HA1     6     1.09555   105.33477    41.98104
    7     5 S   CO3  _C1_     7     1.53741   112.42166   -78.46504
    8     7 S   O2Z  _O11     8     1.26364   115.02020   -41.84961
    9     7 S   O2Z  _O12     9     1.26243   114.91976   137.33169
   10     5 S   CT   _CB1    10     1.52897   107.14956   159.92728
   11    10 S   HC   HB11    11     1.09759   108.97889   -50.89622
   12    10 S   HC   HB12    12     1.09714   109.95058    65.54458
   13    10 S   CT   _CG1    13     1.53040   113.66827  -172.57770
   14    13 S   HC   HG11    14     1.09555   110.17648   -63.22170
   15    13 S   HC   HG12    15     1.09582   110.49848    56.16191
   16    13 S   C    _CD1    16     1.51908   111.21514   175.70085
   17    16 S   O    _OE1    17     1.22797   122.77822   -25.72556
   18    16 S   N    _N2_    18     1.38492   112.54105   155.87420
   19    18 S   H    _HN2    19     1.01544   119.25752     4.34077
   20    18 S   CT1  _CA2    20     1.46272   123.12416  -176.22592
   21    20 S   HC   _HA2    21     1.09605   109.11127     7.27190
   22    20 S   C    _C2_    22     1.53485   109.06558  -108.38875
   23    22 S   O    _O2_    23     1.23065   122.08937  -142.63830
   24    20 S   CT   _CB2    32     1.53515   111.53879   129.02307
   25    24 S   HC   HB21    33     1.09659   109.52712    64.53533
   26    24 S   HC   HB22    34     1.09565   111.10180  -177.95684
   27    22 S   N    _N3_    24     1.38461   113.70965    44.51465
   28    27 S   H    _HN3    25     1.01479   119.09546     0.37430
   29    24 S   S    _SG2    35     1.82681   113.99261   -54.55525
   30    27 S   CT   _CA3    26     1.45446   123.38264   175.71824
   31    30 S   HC   HA31    27     1.09526   109.30433    24.52595
   32    30 S   HC   HA32    28     1.09505   107.13407   141.47349
   33    29 S   CT   _C21    36     1.83618   100.19226   -76.12236
   34    33 S   HC   _H3_    37     1.09646   108.34676    43.53467
   35    33 S   HC   _H4_    38     1.09857   106.22769   -70.96767
   36    30 S   CO3  _C3_    29     1.52889   112.92434   -99.00498
   37    36 S   O2Z  _O31    30     1.26410   115.27484   -50.02722
   38    36 S   O2Z  _O32    31     1.26338   115.08580   130.88547
   39    33 S   CT   _C22    39     1.56251   114.22359   166.77270
   40    39 S   OM   _O20    40     1.32606   106.67324   175.07300
   41    39 S   CT   _C18    41     1.56182   111.17987   -65.24924
   42    41 S   HC   _H33    42     1.10133   107.99581    59.07029
   43    39 S   CT   _C19    73     1.54441   111.52176    58.37187
   44    43 S   HC   _H34    74     1.09821   111.72378    49.93333
   45    43 S   HC   _H35    75     1.09586   111.50038   -70.24011
   46    43 S   HC   _H36    76     1.09834   112.40285   170.14232
   47    41 S   CT   _C17    43     1.54444   117.05891   179.36050
   48    47 S   HC   _H31    44     1.09415   113.31533    37.12189
   49    47 S   HC   _H32    45     1.09362   111.49627   -87.72049
   50    47 S   CA   _C10    46     1.48435    98.64850   152.84642
   51    50 S   CA   _C11    47     1.38321   109.14107   -18.10298
   52    51 S   CA   _C7_    48     1.38135   122.30723  -176.67581
   53    52 S   HA   _H30    49     1.08388   118.65002   179.56931
   54    41 S   OS   _O23    72     1.45949   111.53128   -56.02170
   55    52 S   CA   _C15    50     1.40096   118.43823    -2.25915
   56    55 S   CA   _C9_    51     1.42017   119.37328     1.26887
   57    55 S   OS   _O25    67     1.37160   123.32283  -177.90258
   58    50 S   CA   _C13    52     1.38302   130.25585   164.28650
   59    57 S   CT   _C20    68     1.42245   117.74771    -5.62434
   60    59 S   HC   _H37    69     1.09427   107.69726  -176.74105
   61    59 S   HC   _H38    70     1.09468   111.05010    65.68891
   62    59 S   HC   _H39    71     1.09499   111.28167   -58.97748
   63    58 S   OS   _O22    53     1.36869   116.67329    -2.15722
   64    63 S   CA   _C12    54     1.37007   118.64593  -179.54243
   65    64 S   CA   _C8_    55     1.39189   123.35703     0.79155
   66    65 S   CA   _C5_    56     1.39950   120.50855   179.80923
   67    66 S   HA   _H28    57     1.08683   121.13594   179.98022
   68    56 S   CO4  _C16    65     1.48253   122.31499  -179.11353
   69    68 S   O    _O21    66     1.22281   122.77750     2.51030
   70    66 S   CA   _C4_    58     1.39520   119.79540     0.01978
   71    70 S   HA   _H27    59     1.08652   119.91499   179.97202
   72    70 S   CA   _C6_    60     1.39423   120.12289    -0.03426
   73    72 S   HA   _H29    61     1.08621   119.41809  -179.97202
   74    64 S   CA   _C14    62     1.39748   117.45994  -179.40422
   75    74 S   OH   _O24    63     1.36874   119.07088     0.12354
   76    75 S   HO   _H42    64     0.97221   108.81122  -179.86294
  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
  12   5   4   2   1   1  13   8  13   7   5   2   1   1   9   5
   4  10   8   8   4   2  11   9   6   6   3   2   1   1   7  11
   9   8   4   3   1   5   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    54    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    49    50    51    54    43    44    45    46  
   41    42    47    54    43    44    45    46  
   42    47    48    49    50    51    52    58    54    43    44    45    46  
   47    48    49    50    51    54    43  
   44    45    46    47    54  
   45    46  
   46  
    0  
   48    49    50    51    52    56    58    63    54  
   49    50    51    58    54  
   50    51    58    54  
   51    52    53    55    56    58    63    64    68    54  
   52    53    55    56    58    63    57    54  
   53    55    56    58    68    57    59    54  
   55    56    57    54  
   55    58  
   56    58    63    65    68    69    57    59    60    61    62  
   58    63    64    65    66    68    69    57    59  
   59    60    61    62    58    68  
   63    64    65    74    68    69  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    72    74    75    68  
   65    66    67    70    72    73    74    75    76    68    69  
   66    67    70    71    72    74    75    68    69  
   67    70    71    72    73    74    68    69  
   70    71    72    68  
   69    70    74  
    0  
   71    72    73    74    75  
   72    73    74  
   73    74    75    76  
   74    75  
   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   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    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   570.000  1.307
   39    41   268.000  1.529
   39    43   268.000  1.529
   41    42   340.000  1.090
   41    47   268.000  1.529
   41    54   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.510
   50    51   469.000  1.400
   50    58   469.000  1.400
   51    52   469.000  1.400
   51    54   450.000  1.364
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    56   469.000  1.400
   55    57   450.000  1.364
   56    58   469.000  1.400
   56    68   310.000  1.470
   58    63   450.000  1.364
   63    64   450.000  1.364
   64    65   469.000  1.400
   64    74   469.000  1.400
   65    66   469.000  1.400
   65    68   310.000  1.470
   66    67   367.000  1.080
   66    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   450.000  1.364
   75    76   553.000  0.945
   68    69   570.000  1.229
   57    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    50.00000  109.50000
   33    39    41    58.35000  112.70000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    47    58.35000  112.70000
   39    41    54    50.00000  109.50000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    50.00000  109.50000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    50    70.00000  112.17500
   41    54    51    75.00000  111.00000
   47    41    42    37.50000  110.70000
   47    50    51    70.00000  120.00000
   47    50    58    70.00000  120.00000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    51    52    63.00000  120.00000
   50    51    54    70.00000  120.00000
   50    58    56    63.00000  120.00000
   50    58    63    70.00000  120.00000
   51    52    53    35.00000  120.00000
   51    52    55    63.00000  120.00000
   52    55    56    63.00000  120.00000
   52    55    57    70.00000  120.00000
   55    52    53    35.00000  120.00000
   55    56    58    63.00000  120.00000
   55    56    68    60.00000  119.52600
   55    57    59    75.00000  111.00000
   56    58    63    70.00000  120.00000
   56    68    65    65.00000  116.00000
   56    68    69    75.00000  123.78400
   58    50    51    63.00000  120.00000
   58    63    64    85.00000  114.70000
   63    64    65    70.00000  120.00000
   63    64    74    70.00000  120.00000
   64    65    66    63.00000  120.00000
   64    65    68    60.00000  119.52600
   64    74    72    63.00000  120.00000
   64    74    75    70.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    70    63.00000  120.00000
   65    68    69    75.00000  123.78400
   66    70    71    35.00000  120.00000
   66    70    72    63.00000  120.00000
   70    66    67    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    70.00000  120.00000
   74    64    65    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  113.00000
   68    56    58    60.00000  119.52600
   68    65    66    60.00000  119.52600
   57    55    56    70.00000  120.00000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   54    41    42    35.00000  109.50000
   54    41    47    50.00000  109.50000
   54    51    52    70.00000  120.00000
   43    39    40    50.00000  109.50000
   43    39    41    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    47   0.56750  1.0 1.0
   33    39    41    47  -0.07550 -1.0 2.0
   33    39    41    47   0.20000  1.0 3.0
   33    39    41    54   0.62750  1.0 1.0
   33    39    41    54  -0.30950 -1.0 2.0
   33    39    41    54   0.27300  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   0.15000  1.0 3.0
   39    41    47    49   0.15000  1.0 3.0
   39    41    47    50  -0.03700  1.0 1.0
   39    41    47    50   0.37200 -1.0 2.0
   39    41    47    50  -0.47300  1.0 3.0
   39    41    54    51  -0.32850  1.0 1.0
   39    41    54    51  -0.35800 -1.0 2.0
   39    41    54    51   0.33950  1.0 3.0
   40    39    41    42   0.23400  1.0 3.0
   40    39    41    47   0.62750  1.0 1.0
   40    39    41    47  -0.30950 -1.0 2.0
   40    39    41    47   0.27300  1.0 3.0
   40    39    41    54   1.11900  1.0 1.0
   40    39    41    54  -1.16350 -1.0 2.0
   40    39    41    54  -0.34150  1.0 3.0
   40    39    43    44   0.23400  1.0 3.0
   40    39    43    45   0.23400  1.0 3.0
   40    39    43    46   0.23400  1.0 3.0
   41    39    43    44   0.15000  1.0 3.0
   41    39    43    45   0.15000  1.0 3.0
   41    39    43    46   0.15000  1.0 3.0
   41    47   -50    51   0.04150 -1.0 2.0
   41    47    50    58   0.04150 -1.0 2.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    50   0.43200  1.0 3.0
   42    41    54    51   0.08050  1.0 3.0
   47    41   -54    51  -0.32850  1.0 1.0
   47    41   -54    51  -0.35800 -1.0 2.0
   47    41   -54    51   0.33950  1.0 3.0
   47    50    51    52   3.62500 -1.0 2.0
   47    50   -51    54   3.62500 -1.0 2.0
   47    50    58    56   3.62500 -1.0 2.0
   47    50    58    63   3.62500 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    58   0.00000  1.0 1.0
   49    47    50    51   0.00000  1.0 1.0
   49    47    50    58   0.00000  1.0 1.0
   50    51    52    53   3.62500 -1.0 2.0
   50    51    52    55   3.62500 -1.0 2.0
   50    51   -54    41   1.63200 -1.0 2.0
   50    58    63    64   0.47150 -1.0 2.0
   51    50    58    56   3.62500 -1.0 2.0
   51    50    58    63   3.62500 -1.0 2.0
   51    52   -55    56   3.62500 -1.0 2.0
   51    52    55    57   3.62500 -1.0 2.0
   52    51    54    41   1.63200 -1.0 2.0
   52    55    56    58   3.62500 -1.0 2.0
   52    55    56    68   3.62500 -1.0 2.0
   52    55    57    59   1.63200 -1.0 2.0
   53    52    55    56   3.62500 -1.0 2.0
   53    52    55    57   3.62500 -1.0 2.0
   55    56   -58    50   3.62500 -1.0 2.0
   55    56    58    63   3.62500 -1.0 2.0
   55    56    68    65   0.56600 -1.0 2.0
   55    56    68    69   1.05000 -1.0 2.0
   55    57    59    60   0.08050  1.0 3.0
   55    57    59    61   0.08050  1.0 3.0
   55    57    59    62   0.08050  1.0 3.0
   56    55    57    59   1.63200 -1.0 2.0
   56    58    63    64   0.47150 -1.0 2.0
   58    50   -51    52   3.62500 -1.0 2.0
   58    50    51    54   3.62500 -1.0 2.0
   58    56    68    65   0.56600 -1.0 2.0
   58    56    68    69   1.05000 -1.0 2.0
   58    63   -64    65   0.47150 -1.0 2.0
   58    63    64    74   0.47150 -1.0 2.0
   63    64    65    66   3.62500 -1.0 2.0
   63    64    65    68   3.62500 -1.0 2.0
   63    64    74    72   3.62500 -1.0 2.0
   63    64    74    75   3.62500 -1.0 2.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    70   3.62500 -1.0 2.0
   64    65   -68    56   0.56600 -1.0 2.0
   64    65    68    69   1.05000 -1.0 2.0
   64    74    75    76   0.84100 -1.0 2.0
   65    64    74    72   3.62500 -1.0 2.0
   65    64    74    75   3.62500 -1.0 2.0
   65    66    70    71   3.62500 -1.0 2.0
   65    66   -70    72   3.62500 -1.0 2.0
   66    65    68    56   0.56600 -1.0 2.0
   66    65    68    69   1.05000 -1.0 2.0
   66    70    72    73   3.62500 -1.0 2.0
   66    70    72    74   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    72   3.62500 -1.0 2.0
   70    72   -74    64   3.62500 -1.0 2.0
   70    72    74    75   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    75    76   0.84100 -1.0 2.0
   73    72    74    64   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   74    64   -65    66   3.62500 -1.0 2.0
   74    64    65    68   3.62500 -1.0 2.0
   68    56    58    50   3.62500 -1.0 2.0
   68    56   -58    63   3.62500 -1.0 2.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    70   3.62500 -1.0 2.0
   57    55    56    58   3.62500 -1.0 2.0
   57    55    56    68   3.62500 -1.0 2.0
   54    41    47    48   0.23400  1.0 3.0
   54    41    47    49   0.23400  1.0 3.0
   54    41   -47    50  -0.64350  1.0 1.0
   54    41   -47    50  -0.04200 -1.0 2.0
   54    41   -47    50   0.19800  1.0 3.0
   54    51    52    53   3.62500 -1.0 2.0
   54    51    52    55   3.62500 -1.0 2.0
   43    39    41    42   0.15000  1.0 3.0
   43    39    41    47   0.56750  1.0 1.0
   43    39    41    47  -0.07550 -1.0 2.0
   43    39    41    47   0.20000  1.0 3.0
   43    39    41    54   0.62750  1.0 1.0
   43    39    41    54  -0.30950 -1.0 2.0
   43    39    41    54   0.27300  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   51    58    50    47   4.00000 -1.0 2.0
   52    54    51    50   4.00000 -1.0 2.0
   55    53    52    51   1.10000 -1.0 2.0
   56    57    55    52   4.00000 -1.0 2.0
   58    68    56    55   4.00000 -1.0 2.0
   56    63    58    50   4.00000 -1.0 2.0
   65    74    64    63   4.00000 -1.0 2.0
   66    68    65    64   4.00000 -1.0 2.0
   70    67    66    65   1.10000 -1.0 2.0
   72    71    70    66   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   72    75    74    64   4.00000 -1.0 2.0
   56    65    68    69  10.50000 -1.0 2.0
END
