* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    138    223     404
    1     0 S   NP   _N1_     1    29.33549    93.42553   -25.65810
    2     1 S   H    _HN1     2     1.02970   101.33139   -14.05444
    3     1 S   H    _H1_     3     1.02836     8.53994   119.06052
    4     1 S   H    _H2_     4     1.02781   104.49201  -126.52412
    5     1 S   CT   _CA1     5     1.50108   119.15510   107.21736
    6     5 S   HC   _HA1     6     1.09557   105.35201    61.30600
    7     5 S   CO3  _C1_     7     1.53792   112.14590   -59.22797
    8     7 S   O2Z  _O11     8     1.26338   114.93296   -47.90798
    9     7 S   O2Z  _O12     9     1.26211   115.04138   131.16067
   10     5 S   CT   _CB1    10     1.53056   107.41439   179.45824
   11    10 S   HC   HB11    11     1.09827   109.67130   -49.07510
   12    10 S   HC   HB12    12     1.09830   110.29007    67.52394
   13    10 S   CT   _CG1    13     1.53009   112.57239  -170.04533
   14    13 S   HC   HG11    14     1.09598   110.55578   -58.66552
   15    13 S   HC   HG12    15     1.09626   110.03233    60.65666
   16    13 S   C    _CD1    16     1.51716   112.02953  -178.69404
   17    16 S   O    _OE1    17     1.22734   123.22916    -1.17437
   18    16 S   N    _N2_    18     1.38642   111.79712   178.38190
   19    18 S   H    _HN2    19     1.01567   119.19555     4.34771
   20    18 S   CT1  _CA2    20     1.46063   123.12431  -175.34495
   21    20 S   HC   _HA2    21     1.09596   109.17443     2.38055
   22    20 S   C    _C2_    22     1.53471   109.58272  -113.12124
   23    22 S   O    _O2_    23     1.23069   121.91857  -148.46980
   24    20 S   CT   _CB2    32     1.53517   111.62448   123.98034
   25    24 S   HC   HB21    33     1.09678   109.39393    69.88455
   26    24 S   HC   HB22    34     1.09552   110.73882  -173.38808
   27    22 S   N    _N3_    24     1.38410   113.78149    39.00922
   28    27 S   H    _HN3    25     1.01480   119.01671    -0.54930
   29    24 S   S    _SG2    35     1.83038   115.22411   -49.18065
   30    27 S   CT   _CA3    26     1.45451   123.47690   175.09188
   31    30 S   HC   HA31    27     1.09520   109.36285    23.13362
   32    30 S   HC   HA32    28     1.09503   107.12388   140.13231
   33    29 S   CT   _C23    36     1.81753   101.20263   -62.47411
   34    33 S   HC   _H3_    37     1.09405   111.03269    49.20052
   35    30 S   CO3  _C3_    29     1.52899   112.88469  -100.41503
   36    35 S   O2Z  _O31    30     1.26419   115.28065   -48.74884
   37    35 S   O2Z  _O32    31     1.26337   115.07050   132.11972
   38    33 S   CM   _C18    38     1.48806   112.17064   -73.09473
   39    38 S   HC   _H34    39     1.09151   114.38765    87.24310
   40    38 S   CMA  _C19    40     1.35278   127.63436   -96.46150
   41    40 S   OM   _O23    41     1.26641   124.76698  -175.95770
   42    40 S   CA   _C10    42     1.52322   113.93204     5.22682
   43    42 S   CA   _C9_    43     1.41718   121.53817   -19.95060
   44    43 S   CA   _C6_    44     1.42636   122.58736  -179.74359
   45    33 S   CO4  _C22    76     1.50790   108.56636   165.76696
   46    45 S   O    _O26    77     1.22740   121.11944   -97.29234
   47    44 S   CA   _C7_    45     1.48456   122.17432  -177.59841
   48    44 S   CA   _C13    66     1.41535   118.49992    -0.38512
   49    47 S   CA   _C12    46     1.41473   121.23891   -95.31634
   50    48 S   CA   _C5_    67     1.39731   119.49088     0.71928
   51    50 S   HA   _H31    68     1.08828   120.07895  -179.79537
   52    48 S   CT   _C25    72     1.50756   122.18265  -177.75023
   53    52 S   HC   _H39    73     1.09370   110.86785   -60.31000
   54    52 S   HC   _H40    74     1.09462   110.40755    61.40782
   55    52 S   HC   _H41    75     1.09553   111.51304  -179.48604
   56    49 S   CA   _C4_    47     1.40373   119.54355  -178.04115
   57    56 S   HA   _H30    48     1.08846   119.12193   179.28783
   58    49 S   CT   _C24    62     1.50675   121.77206     1.68330
   59    58 S   HC   _H36    63     1.09385   110.56926   -67.08413
   60    58 S   HC   _H37    64     1.09452   110.67140    54.46156
   61    58 S   HC   _H38    65     1.09540   111.45469   173.35082
   62    42 S   CA   _C14    69     1.41129   122.15445   160.50206
   63    56 S   CA   _C8_    49     1.40015   120.99927    -0.83134
   64    62 S   OH   _O27    70     1.37379   123.26870    -1.04418
   65    64 S   HO   _H42    71     0.97549   107.45061     4.03556
   66    63 S   CA   _C11    50     1.39619   120.29586    -0.41684
   67    47 S   CA   _C15    51     1.41488   120.13414    85.25383
   68    66 S   CO4  _C21    54     1.48229   119.37059  -179.50901
   69    68 S   O    _O25    55     1.22558   121.80707   179.97202
   70    67 S   OH   _O28    52     1.37514   116.71441    -0.82353
   71    70 S   HO   _H43    53     0.97325   109.34708  -177.57763
   72    68 S   CM   _C17    56     1.47578   118.26137    -0.35332
   73    72 S   HC   _H33    57     1.08440   117.21623   179.44609
   74    72 S   CM   _C16    58     1.33263   121.93310    -0.31153
   75    74 S   HC   _H32    59     1.08409   121.01953   179.77100
   76    63 S   CO4  _C20    60     1.47834   118.64863   179.09951
   77    76 S   O    _O24    61     1.22521   121.88978    -1.01027
  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   8   5   4   3
  10   6   2   1   1   8   4   8   3  11  11  17   4   1  16  10
  11   8   3   4   2   1   1  12   4   5   2   1   1   2  10   1
   1  10   6   7   3   1   1   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    43    45    46  
   36    37  
   37  
    0  
   39    40    41    42    43    62    45    46  
   40    41    42    45  
   41    42    43    44    50    62    64    45  
   42    43    62  
   43    44    47    48    50    51    62    64    65    45    46  
   44    47    49    67    48    50    62    64    52    45    46  
   47    49    56    66    67    70    58    48    50    51    62    52    53    54    55    45    46  
   46    47    48    62  
    0  
   49    56    57    63    66    67    70    71    68    58    59    60    61    48    50    52  
   50    51    62    64    52    53    54    55    49    67  
   56    57    63    66    67    70    76    58    59    60    61  
   51    62    64    65    52    53    54    55  
   62    64    52  
   53    54    55    62  
   54    55  
   55  
    0  
   57    63    66    67    68    74    76    77    58    59    60    61  
   63    66    76    58  
   59    60    61    63    67  
   60    61  
   61  
    0  
   64    65  
   66    67    70    68    69    72    74    75    76    77  
   65  
    0  
   67    70    71    68    69    72    73    74    76    77  
   70    71    68    69    72    76  
   69    72    73    74    75    76    70  
   72    73    74  
   71  
    0  
   73    74    75    76    77  
   74    75    76  
   75    76    77  
   76    77  
   77  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    45   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   320.000  1.460
   42    43   469.000  1.400
   42    62   469.000  1.400
   43    44   469.000  1.400
   43    45   310.000  1.470
   44    47   375.000  1.464
   44    48   469.000  1.400
   47    49   469.000  1.400
   47    67   469.000  1.400
   49    56   469.000  1.400
   49    58   317.000  1.510
   56    57   367.000  1.080
   56    63   469.000  1.400
   63    66   469.000  1.400
   63    76   310.000  1.470
   66    67   469.000  1.400
   66    68   310.000  1.470
   67    70   450.000  1.364
   70    71   553.000  0.945
   68    69   570.000  1.229
   68    72   320.000  1.462
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   340.000  1.080
   74    76   320.000  1.462
   76    77   570.000  1.229
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   48    50   469.000  1.400
   48    52   317.000  1.510
   50    51   367.000  1.080
   50    62   469.000  1.400
   62    64   450.000  1.364
   64    65   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   45    46   570.000  1.229
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    45    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    45    43    65.00000  115.47100
   33    45    46    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    60.00000  123.20500
   40    38    39    40.00000  120.50800
   40    42    43    60.00000  120.93500
   40    42    62    60.00000  120.93500
   42    40    41    85.00000  114.86500
   42    43    44    63.00000  120.00000
   42    43    45    60.00000  119.52600
   42    62    50    63.00000  120.00000
   42    62    64    70.00000  120.00000
   43    44    47    60.00000  122.76000
   43    44    48    63.00000  120.00000
   43    45    46    75.00000  123.78400
   44    47    49    60.00000  122.76000
   44    47    67    60.00000  122.76000
   44    48    50    63.00000  120.00000
   44    48    52    70.00000  120.00000
   47    49    56    63.00000  120.00000
   47    49    58    70.00000  120.00000
   47    67    66    63.00000  120.00000
   47    67    70    70.00000  120.00000
   49    56    57    35.00000  120.00000
   49    56    63    63.00000  120.00000
   49    58    59    35.00000  109.50000
   49    58    60    35.00000  109.50000
   49    58    61    35.00000  109.50000
   56    63    66    63.00000  120.00000
   56    63    76    60.00000  119.52600
   63    56    57    35.00000  120.00000
   63    66    67    63.00000  120.00000
   63    66    68    60.00000  119.52600
   63    76    74    65.00000  117.02400
   63    76    77    75.00000  123.78400
   66    67    70    70.00000  120.00000
   66    68    69    75.00000  123.78400
   66    68    72    65.00000  117.02400
   67    47    49    63.00000  120.00000
   67    70    71    35.00000  113.00000
   68    66    67    60.00000  119.52600
   68    72    73    40.00000  117.72500
   68    72    74    65.00000  118.96000
   72    68    69    80.00000  123.72100
   72    74    75    35.00000  120.00000
   72    74    76    65.00000  118.96000
   74    72    73    35.00000  120.00000
   74    76    77    80.00000  123.72100
   76    63    66    60.00000  119.52600
   76    74    75    40.00000  117.72500
   58    49    56    70.00000  120.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   48    44    47    60.00000  122.76000
   48    50    51    35.00000  120.00000
   48    50    62    63.00000  120.00000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   50    62    64    70.00000  120.00000
   62    42    43    63.00000  120.00000
   62    50    51    35.00000  120.00000
   62    64    65    35.00000  113.00000
   52    48    50    70.00000  120.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   45    33    34    35.00000  109.50000
   45    33    38    70.00000  109.06800
   45    43    44    60.00000  119.52600
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    43   0.65300  1.0 1.0
   29    33    45    43  -0.03850 -1.0 2.0
   29    33    45    43   0.33900  1.0 3.0
   29    33    45    46   0.30150 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    45    43   0.00000  1.0 1.0
   34    33    45    46   0.00000  1.0 1.0
   38    33    45    43   0.65300  1.0 1.0
   38    33    45    43  -0.03850 -1.0 2.0
   38    33    45    43   0.33900  1.0 3.0
   38    33    45    46   0.30150 -1.0 2.0
   38    40   -42    43   0.15800  1.0 1.0
   38    40   -42    43   1.85350 -1.0 2.0
   38    40   -42    43  -0.48700  1.0 3.0
   38    40    42    62   0.15800  1.0 1.0
   38    40    42    62   1.85350 -1.0 2.0
   38    40    42    62  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42    43    45   3.62500 -1.0 2.0
   40    42    62    50   3.62500 -1.0 2.0
   40    42    62    64   3.62500 -1.0 2.0
   41    40    42    43  -0.01750  1.0 1.0
   41    40    42    43  -0.32000 -1.0 2.0
   41    40    42    43   0.00600  1.0 3.0
   41    40    42    62  -0.01750  1.0 1.0
   41    40    42    62  -0.32000 -1.0 2.0
   41    40    42    62   0.00600  1.0 3.0
   42    43    44    47   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43   -45    33   2.26350  1.0 1.0
   42    43   -45    33   0.76750 -1.0 2.0
   42    43   -45    33   0.22500  1.0 3.0
   42    43    45    46   1.05000 -1.0 2.0
   42    62    64    65   0.84100 -1.0 2.0
   43    42    62    50   3.62500 -1.0 2.0
   43    42    62    64   3.62500 -1.0 2.0
   43    44    47    49  -0.19450  1.0 1.0
   43    44    47    49   0.63300 -1.0 2.0
   43    44    47    49   0.07450  1.0 3.0
   43    44    47    67  -0.19450  1.0 1.0
   43    44    47    67   0.63300 -1.0 2.0
   43    44    47    67   0.07450  1.0 3.0
   43    44   -48    50   3.62500 -1.0 2.0
   43    44    48    52   3.62500 -1.0 2.0
   44    43    45    33   2.26350  1.0 1.0
   44    43    45    33   0.76750 -1.0 2.0
   44    43    45    33   0.22500  1.0 3.0
   44    43    45    46   1.05000 -1.0 2.0
   44    47    49    56   3.62500 -1.0 2.0
   44    47    49    58   3.62500 -1.0 2.0
   44    47    67    66   3.62500 -1.0 2.0
   44    47    67    70   3.62500 -1.0 2.0
   44    48    50    51   3.62500 -1.0 2.0
   44    48    50    62   3.62500 -1.0 2.0
   44    48    52    53   0.00000  1.0 1.0
   44    48    52    54   0.00000  1.0 1.0
   44    48    52    55   0.00000  1.0 1.0
   47    44    48    50   3.62500 -1.0 2.0
   47    44    48    52   3.62500 -1.0 2.0
   47    49    56    57   3.62500 -1.0 2.0
   47    49    56    63   3.62500 -1.0 2.0
   47    49    58    59   0.00000  1.0 1.0
   47    49    58    60   0.00000  1.0 1.0
   47    49    58    61   0.00000  1.0 1.0
   47    67    70    71   0.84100 -1.0 2.0
   49    47    67    66   3.62500 -1.0 2.0
   49    47    67    70   3.62500 -1.0 2.0
   49    56   -63    66   3.62500 -1.0 2.0
   49    56    63    76   3.62500 -1.0 2.0
   56    49    58    59   0.00000  1.0 1.0
   56    49    58    60   0.00000  1.0 1.0
   56    49    58    61   0.00000  1.0 1.0
   56    63    66    67   3.62500 -1.0 2.0
   56    63    66    68   3.62500 -1.0 2.0
   56    63    76    74  -0.11500  1.0 1.0
   56    63    76    74   1.10450 -1.0 2.0
   56    63    76    74  -0.48050  1.0 3.0
   56    63    76    77   1.05000 -1.0 2.0
   57    56    63    66   3.62500 -1.0 2.0
   57    56    63    76   3.62500 -1.0 2.0
   63    66   -67    47   3.62500 -1.0 2.0
   63    66    67    70   3.62500 -1.0 2.0
   63    66    68    69   1.05000 -1.0 2.0
   63    66    68    72  -0.11500  1.0 1.0
   63    66    68    72   1.10450 -1.0 2.0
   63    66    68    72  -0.48050  1.0 3.0
   66    63    76    74  -0.11500  1.0 1.0
   66    63    76    74   1.10450 -1.0 2.0
   66    63    76    74  -0.48050  1.0 3.0
   66    63    76    77   1.05000 -1.0 2.0
   66    67    70    71   0.84100 -1.0 2.0
   66    68    72    73   1.64500 -1.0 2.0
   66    68   -72    74  -1.65800  1.0 1.0
   66    68   -72    74   0.77650 -1.0 2.0
   67    47   -49    56   3.62500 -1.0 2.0
   67    47    49    58   3.62500 -1.0 2.0
   67    66    68    69   1.05000 -1.0 2.0
   67    66    68    72  -0.11500  1.0 1.0
   67    66    68    72   1.10450 -1.0 2.0
   67    66    68    72  -0.48050  1.0 3.0
   68    66    67    47   3.62500 -1.0 2.0
   68    66    67    70   3.62500 -1.0 2.0
   68    72    74    75   7.00000 -1.0 2.0
   68    72    74    76   7.00000 -1.0 2.0
   69    68    72    73   0.00000  1.0 1.0
   69    68    72    74   1.00000 -1.0 2.0
   72    74   -76    63  -1.65800  1.0 1.0
   72    74   -76    63   0.77650 -1.0 2.0
   72    74    76    77   1.00000 -1.0 2.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    76   7.00000 -1.0 2.0
   75    74    76    63   1.64500 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   76    63    66    67   3.62500 -1.0 2.0
   76    63   -66    68   3.62500 -1.0 2.0
   58    49    56    57   3.62500 -1.0 2.0
   58    49    56    63   3.62500 -1.0 2.0
   48    44    47    49  -0.19450  1.0 1.0
   48    44    47    49   0.63300 -1.0 2.0
   48    44    47    49   0.07450  1.0 3.0
   48    44    47    67  -0.19450  1.0 1.0
   48    44    47    67   0.63300 -1.0 2.0
   48    44    47    67   0.07450  1.0 3.0
   48    50   -62    42   3.62500 -1.0 2.0
   48    50    62    64   3.62500 -1.0 2.0
   50    48    52    53   0.00000  1.0 1.0
   50    48    52    54   0.00000  1.0 1.0
   50    48    52    55   0.00000  1.0 1.0
   50    62    64    65   0.84100 -1.0 2.0
   51    50    62    42   3.62500 -1.0 2.0
   51    50    62    64   3.62500 -1.0 2.0
   62    42   -43    44   3.62500 -1.0 2.0
   62    42    43    45   3.62500 -1.0 2.0
   52    48    50    51   3.62500 -1.0 2.0
   52    48    50    62   3.62500 -1.0 2.0
   45    33    38    39   0.00000  1.0 1.0
   45    33   -38    40  -0.51250  1.0 1.0
   45    33   -38    40  -0.88800 -1.0 2.0
   45    33   -38    40   0.08850  1.0 3.0
   45    43    44    47   3.62500 -1.0 2.0
   45    43    44    48   3.62500 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    62    42    40   4.00000 -1.0 2.0
   44    45    43    42   4.00000 -1.0 2.0
   47    48    44    43   4.00000 -1.0 2.0
   49    67    47    44   4.00000 -1.0 2.0
   56    58    49    47   4.00000 -1.0 2.0
   63    57    56    49   1.10000 -1.0 2.0
   66    76    63    56   4.00000 -1.0 2.0
   67    68    66    63   4.00000 -1.0 2.0
   66    70    67    47   4.00000 -1.0 2.0
   66    72    68    69  10.50000 -1.0 2.0
   68    73    72    74   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   63    74    76    77  10.50000 -1.0 2.0
   50    52    48    44   4.00000 -1.0 2.0
   62    51    50    48   1.10000 -1.0 2.0
   50    64    62    42   4.00000 -1.0 2.0
   33    43    45    46  10.50000 -1.0 2.0
END
