* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    219     412
    1     0 S   NP   _N1_     1    29.89499    92.56643   -25.49756
    2     1 S   H    _HN1     2     1.03213   118.24964   -77.86106
    3     1 S   H    _H1_     3     1.03177    89.42360    30.53940
    4     1 S   H    _H2_     4     1.02706    18.28264  -137.25718
    5     1 S   CT   _CA1     5     1.49907   116.40407   143.66469
    6     5 S   HC   _HA1     6     1.09592   105.17549    78.83361
    7     5 S   CO3  _C1_     7     1.53748   112.62729   -41.04093
    8     7 S   O2Z  _O11     8     1.26312   115.25899   -44.38047
    9     7 S   O2Z  _O12     9     1.26315   114.84622   134.93113
   10     5 S   CT   _CB1    10     1.53096   107.40748  -163.69374
   11    10 S   HC   HB11    11     1.09769   108.93361   -54.09782
   12    10 S   HC   HB12    12     1.09817   110.39598    62.27455
   13    10 S   CT   _CG1    13     1.53007   113.09670  -175.46585
   14    13 S   HC   HG11    14     1.09584   110.03778   -65.04906
   15    13 S   HC   HG12    15     1.09618   110.36256    54.04319
   16    13 S   C    _CD1    16     1.51854   111.98949   173.71862
   17    16 S   O    _OE1    17     1.22750   123.07237   -23.00880
   18    16 S   N    _N2_    18     1.38575   112.11966   158.74003
   19    18 S   H    _HN2    19     1.01561   119.19214     2.00896
   20    18 S   CT1  _CA2    20     1.46055   123.18393  -179.02622
   21    20 S   HC   _HA2    21     1.09523   109.36372    -3.14473
   22    20 S   C    _C2_    22     1.53372   108.60776  -118.09305
   23    22 S   O    _O2_    23     1.23019   122.25768  -143.50334
   24    20 S   CT   _CB2    32     1.53322   111.60370   119.24063
   25    24 S   HC   HB21    33     1.09683   109.36382    61.49033
   26    24 S   HC   HB22    34     1.09504   111.04535   178.17587
   27    22 S   N    _N3_    24     1.38517   113.37569    44.02532
   28    27 S   H    _HN3    25     1.01503   118.98659    -0.56855
   29    24 S   S    _SG2    35     1.83252   114.99923   -57.75620
   30    27 S   CT   _CA3    26     1.45420   123.25252   174.37036
   31    30 S   HC   HA31    27     1.09537   108.97494    29.10108
   32    30 S   HC   HA32    28     1.09484   107.17272   146.13118
   33    29 S   CT   _C10    36     1.84483   101.31187   -64.56672
   34    33 S   HC   _H3_    37     1.09316   105.05682    58.85849
   35    30 S   CO3  _C3_    29     1.52987   113.39565   -94.12467
   36    35 S   O2Z  _O31    30     1.26386   115.61226   -38.83694
   37    35 S   O2Z  _O32    31     1.26383   114.84129   142.12081
   38    33 S   CA   _C9_    38     1.51852   112.96615   -60.23338
   39    33 S   CM   _C11    51     1.51588   108.41125   175.42440
   40    39 S   HC   _H10    52     1.09182   115.61324    48.97729
   41    38 S   CA   _C4_    39     1.40593   121.99459   -59.44248
   42    41 S   HA   _H7_    40     1.08756   120.43498     0.21670
   43    39 S   CMA  _C12    53     1.35656   126.73712  -131.16774
   44    43 S   OM   _O33    54     1.26757   123.40713  -179.95577
   45    41 S   CA   _C5_    41     1.39685   120.84552  -179.70195
   46    45 S   HA   _H8_    42     1.08612   119.30643  -179.88809
   47    43 S   OS   _O34    55     1.41380   111.25015    -1.20252
   48    45 S   CA   _C6_    43     1.39276   119.73053     0.21761
   49    47 S   CT   _C13    56     1.44079   118.76944   166.66985
   50    49 S   HC   _H4_    57     1.09716   110.39442    41.91046
   51    48 S   CA   _C7_    44     1.39174   120.14369     0.13706
   52    48 S   OH   _O41    49     1.36725   120.45868  -180.00000
   53    52 S   HO   _H19    50     0.97196   108.66305    -0.20748
   54    49 S   CT   _C14    58     1.53846   109.21562   -81.41601
   55    54 S   HC   _H11    59     1.09722   108.90941   -47.12620
   56    54 S   HC   _H12    60     1.09733   108.50183    67.04151
   57    38 S   CA   _C8_    45     1.40527   119.38956   121.49168
   58    57 S   HA   _H9_    46     1.08763   119.76823    -0.12667
   59    51 S   OH   _O40    47     1.36760   119.31854   179.86583
   60    59 S   HO   _H18    48     0.97225   108.66745   179.50386
   61    54 S   CT   _C15    61     1.53476   113.55968  -169.91084
   62    61 S   CT   _C16    62     1.53475   111.30987    51.44256
   63    62 S   HC   _H13    63     1.09762   109.05269  -172.76977
   64    62 S   HC   _H14    64     1.09745   110.10633    69.52135
   65    61 S   CO3  _C19    73     1.55129   107.25410   175.80679
   66    65 S   O2Z  _O38    74     1.26677   115.16682    65.49465
   67    65 S   O2Z  _O37    75     1.26408   116.72394  -113.88702
   68    61 S   OH   _O39    76     1.43184   109.19612   -68.66359
   69    68 S   HO   _H17    77     0.97431   107.14634   -61.81611
   70    62 S   CT   _C17    65     1.53206   113.02627   -51.54574
   71    70 S   HC   _H5_    66     1.09584   109.80855   175.43537
   72    49 S   CT   _C18    67     1.53807   106.44316   159.62298
   73    72 S   HC   _H6_    68     1.09753   109.29879    51.68601
   74    70 S   OH   _O36    71     1.42749   110.69432   -67.52327
   75    74 S   HO   _H16    72     0.97192   107.95412   -43.63543
   76    72 S   OH   _O35    69     1.43004   109.20259   -64.46453
   77    76 S   HO   _H15    70     0.97168   107.56144  -176.30742
  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
  13   6   2   1   1  12   7   3   8   4   6   2   7   3  10   7
  15   8   6   3   1  15   6   5   3   1   1   1  12  14   7   6
   5   2   1   2   1   7   5   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    41    57    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    57    58    39    40    43    44    47  
   38    41    57    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    57    58    59    39    40    43  
   40    43    44    47    49    41    57  
   43    44    47  
   42    45    46    48    51    57    58    52  
   45    46    48    57  
   44    47    49    50    54    72  
   47    49  
   46    48    51    57    59    52    53  
   48    51    52  
   49    50    54    55    56    61    70    72    73    76  
   51    57    58    59    60    52    53  
   50    54    55    56    61    62    70    71    72    73    76    77    74    65    68  
   54    55    56    61    70    72    73    76  
   57    58    59    60    52    53  
   53    57    59  
    0  
   55    56    61    62    63    64    70    72    73    76    65    66    67    68    69  
   56    61    62    72    65    68  
   61    62    72    65    68  
   58    59    60  
   59  
   60  
    0  
   62    63    64    70    71    72    74    65    66    67    68    69  
   63    64    70    71    72    73    76    74    75    65    66    67    68    69  
   64    70    71    72    74    65    68  
   70    71    72    74    65    68  
   66    67    68    69    70  
   67    68  
   68  
   69    70  
    0  
   71    72    73    76    77    74    75  
   72    73    76    74    75  
   73    76    77    74    75  
   76    77    74  
   75    76  
    0  
   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   0.222500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    57   469.000  1.400
   51    59   450.000  1.364
   57    58   367.000  1.080
   59    60   553.000  0.945
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    72   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   268.000  1.529
   61    65   317.000  1.522
   61    68   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   320.000  1.410
   72    73   340.000  1.090
   72    76   320.000  1.410
   76    77   553.000  0.945
   74    75   553.000  0.945
   65    66   656.000  1.250
   65    67   656.000  1.250
   68    69   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  112.20000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    51    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    57    63.00000  120.00000
   48    51    59    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    57    58    35.00000  120.00000
   51    59    60    35.00000  113.00000
   57    38    41    63.00000  120.00000
   59    51    57    70.00000  120.00000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    54    50.00000  109.50000
   47    49    72    50.00000  109.50000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    61    58.35000  112.70000
   49    72    70    58.35000  112.70000
   49    72    73    37.50000  110.70000
   49    72    76    50.00000  109.50000
   54    49    50    37.50000  110.70000
   54    61    62    58.35000  112.70000
   54    61    65    70.00000  109.69300
   54    61    68    50.00000  109.50000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    70    58.35000  112.70000
   61    65    66    70.00000  117.00000
   61    65    67    70.00000  117.00000
   61    68    69    55.00000  108.50000
   62    70    71    37.50000  110.70000
   62    70    72    58.35000  112.70000
   62    70    74    50.00000  109.50000
   64    62    63    33.00000  107.80000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    76    50.00000  109.50000
   70    74    75    55.00000  108.50000
   72    49    50    37.50000  110.70000
   72    49    54    58.35000  112.70000
   72    70    71    37.50000  110.70000
   72    76    77    55.00000  108.50000
   76    72    73    35.00000  109.50000
   74    70    71    35.00000  109.50000
   74    70    72    50.00000  109.50000
   65    61    62    70.00000  109.69300
   67    65    66    80.00000  126.00000
   68    61    62    50.00000  109.50000
   68    61    65    95.00000  109.52300
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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    57    51   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    57    51   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    57   3.62500 -1.0 2.0
   45    48    51    59   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -57    38   3.62500 -1.0 2.0
   48    51    57    58   3.62500 -1.0 2.0
   48    51    59    60   0.84100 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   57    51    59    60   0.84100 -1.0 2.0
   59    51    57    38   3.62500 -1.0 2.0
   59    51    57    58   3.62500 -1.0 2.0
   52    48    51    57   3.62500 -1.0 2.0
   52    48    51    59   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    57   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.46850  1.0 1.0
   43    47    49    54   0.09300 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    72  -0.46850  1.0 1.0
   43    47    49    72   0.09300 -1.0 2.0
   43    47    49    72  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.23400  1.0 3.0
   47    49    54    56   0.23400  1.0 3.0
   47    49    54    61   0.62750  1.0 1.0
   47    49    54    61  -0.30950 -1.0 2.0
   47    49    54    61   0.27300  1.0 3.0
   47    49    72    70   0.62750  1.0 1.0
   47    49    72    70  -0.30950 -1.0 2.0
   47    49    72    70   0.27300  1.0 3.0
   47    49    72    73   0.23400  1.0 3.0
   47    49    72    76   3.69350  1.0 1.0
   47    49    72    76  -1.82950 -1.0 2.0
   49    54    61    62   0.56750  1.0 1.0
   49    54    61    62  -0.07550 -1.0 2.0
   49    54    61    62   0.20000  1.0 3.0
   49    54    61    65  -1.63150  1.0 1.0
   49    54    61    65  -0.43550 -1.0 2.0
   49    54    61    65   0.24500  1.0 3.0
   49    54    61    68   0.86500  1.0 1.0
   49    54    61    68  -0.17500 -1.0 2.0
   49    54    61    68   0.20800  1.0 3.0
   49    72    76    77  -0.11600  1.0 1.0
   49    72    76    77  -0.09450 -1.0 2.0
   49    72    76    77   0.21250  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    61   0.15000  1.0 3.0
   50    49    72    70   0.15000  1.0 3.0
   50    49    72    73   0.15000  1.0 3.0
   50    49    72    76   0.23400  1.0 3.0
   54    49    72    70   0.56750  1.0 1.0
   54    49    72    70  -0.07550 -1.0 2.0
   54    49    72    70   0.20000  1.0 3.0
   54    49    72    73   0.15000  1.0 3.0
   54    49    72    76   0.86500  1.0 1.0
   54    49    72    76  -0.17500 -1.0 2.0
   54    49    72    76   0.20800  1.0 3.0
   54    61    62    63   0.15000  1.0 3.0
   54    61    62    64   0.15000  1.0 3.0
   54    61   -62    70   0.56750  1.0 1.0
   54    61   -62    70  -0.07550 -1.0 2.0
   54    61   -62    70   0.20000  1.0 3.0
   54    61    65    66   0.41150 -1.0 2.0
   54    61    65    67   0.41150 -1.0 2.0
   54    61    68    69  -0.11600  1.0 1.0
   54    61    68    69  -0.09450 -1.0 2.0
   54    61    68    69   0.21250  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    65  -0.11250  1.0 3.0
   55    54    61    68   0.23400  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    65  -0.11250  1.0 3.0
   56    54    61    68   0.23400  1.0 3.0
   61    62    70    71   0.15000  1.0 3.0
   61    62    70    72   0.56750  1.0 1.0
   61    62    70    72  -0.07550 -1.0 2.0
   61    62    70    72   0.20000  1.0 3.0
   61    62    70    74   0.86500  1.0 1.0
   61    62    70    74  -0.17500 -1.0 2.0
   61    62    70    74   0.20800  1.0 3.0
   62    61    65    66   0.41150 -1.0 2.0
   62    61    65    67   0.41150 -1.0 2.0
   62    61    68    69  -0.11600  1.0 1.0
   62    61    68    69  -0.09450 -1.0 2.0
   62    61    68    69   0.21250  1.0 3.0
   62    70   -72    49   0.56750  1.0 1.0
   62    70   -72    49  -0.07550 -1.0 2.0
   62    70   -72    49   0.20000  1.0 3.0
   62    70    72    73   0.15000  1.0 3.0
   62    70    72    76   0.86500  1.0 1.0
   62    70    72    76  -0.17500 -1.0 2.0
   62    70    72    76   0.20800  1.0 3.0
   62    70    74    75  -0.11600  1.0 1.0
   62    70    74    75  -0.09450 -1.0 2.0
   62    70    74    75   0.21250  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    74   0.23400  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    72   0.15000  1.0 3.0
   64    62    70    74   0.23400  1.0 3.0
   70    72    76    77  -0.11600  1.0 1.0
   70    72    76    77  -0.09450 -1.0 2.0
   70    72    76    77   0.21250  1.0 3.0
   71    70    72    49   0.15000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    76   0.23400  1.0 3.0
   71    70    74    75   0.19450  1.0 3.0
   72    49    54    55   0.15000  1.0 3.0
   72    49    54    56   0.15000  1.0 3.0
   72    49   -54    61   0.56750  1.0 1.0
   72    49   -54    61  -0.07550 -1.0 2.0
   72    49   -54    61   0.20000  1.0 3.0
   72    70    74    75  -0.11600  1.0 1.0
   72    70    74    75  -0.09450 -1.0 2.0
   72    70    74    75   0.21250  1.0 3.0
   73    72    76    77   0.19450  1.0 3.0
   74    70    72    49   0.86500  1.0 1.0
   74    70    72    49  -0.17500 -1.0 2.0
   74    70    72    49   0.20800  1.0 3.0
   74    70    72    73   0.23400  1.0 3.0
   74    70    72    76   3.75450  1.0 1.0
   65    61    62    63  -0.11250  1.0 3.0
   65    61    62    64  -0.11250  1.0 3.0
   65    61    62    70  -1.63150  1.0 1.0
   65    61    62    70  -0.43550 -1.0 2.0
   65    61    62    70   0.24500  1.0 3.0
   65    61    68    69   0.91850  1.0 1.0
   65    61    68    69   0.57950  1.0 3.0
   68    61    62    63   0.23400  1.0 3.0
   68    61    62    64   0.23400  1.0 3.0
   68    61    62    70   0.86500  1.0 1.0
   68    61    62    70  -0.17500 -1.0 2.0
   68    61    62    70   0.20800  1.0 3.0
   68    61    65    66   0.30150 -1.0 2.0
   68    61    65    67   0.30150 -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
   41    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   57    59    51    48   4.00000 -1.0 2.0
   51    58    57    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   66    61    65    67  10.50000 -1.0 2.0
END
