* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    134    194     381
    1     0 S   NP   _N1_     1    28.26709    95.45010   -21.14306
    2     1 S   H    _HN1     2     1.02938    77.43390    -3.31488
    3     1 S   H    _H1_     3     1.02862    36.23934   141.03011
    4     1 S   H    _H2_     4     1.02792    98.41224  -110.35735
    5     1 S   CT   _CA1     5     1.50110   142.61718   104.27300
    6     5 S   HC   _HA1     6     1.09566   105.22522    81.49155
    7     5 S   CO3  _C1_     7     1.53736   112.17925   -38.82525
    8     7 S   O2Z  _O11     8     1.26468   115.04074   -48.36470
    9     7 S   O2Z  _O12     9     1.26179   114.98085   131.00960
   10     5 S   CT   _CB1    10     1.53120   107.50686  -160.51290
   11    10 S   HC   HB11    11     1.09837   109.50669   -48.79159
   12    10 S   HC   HB12    12     1.09764   110.39453    67.68205
   13    10 S   CT   _CG1    13     1.53141   112.66919  -169.64351
   14    13 S   HC   HG11    14     1.09536   110.84891   -63.17667
   15    13 S   HC   HG12    15     1.09646   109.70365    56.03881
   16    13 S   C    _CD1    16     1.51789   111.89856   176.63419
   17    16 S   O    _OE1    17     1.22810   123.07879    11.37899
   18    16 S   N    _N2_    18     1.38588   112.28376  -169.12163
   19    18 S   H    _HN2    19     1.01591   119.23696     3.71642
   20    18 S   CT1  _CA2    20     1.45844   122.29837   177.45178
   21    20 S   HC   _HA2    21     1.09453   108.93759    29.65843
   22    20 S   C    _C2_    22     1.52653   105.17307   -87.59590
   23    22 S   O    _O2_    23     1.22949   122.55047   -72.48613
   24    20 S   CT   _CB2    32     1.53137   112.33513   153.11959
   25    24 S   HC   HB21    33     1.09619   110.46914    49.20693
   26    24 S   HC   HB22    34     1.09577   111.11785   167.54503
   27    22 S   N    _N3_    24     1.38366   112.69292   103.83356
   28    27 S   H    _HN3    25     1.01630   120.32045    -0.35663
   29    24 S   S    _SG2    35     1.82604   112.37898   -70.39975
   30    27 S   CT   _CA3    26     1.45291   122.90728  -178.27172
   31    30 S   HC   HA31    27     1.09549   107.73828   -58.74690
   32    30 S   HC   HA32    28     1.09554   107.78116    57.72884
   33    29 S   CT   _C17    36     1.82877    99.73951   -76.23242
   34    33 S   HC   _H21    37     1.09358   110.44599    20.55572
   35    33 S   HC   _H22    38     1.09511   107.17688   -95.87343
   36    30 S   CO3  _C3_    29     1.52975   113.93374   179.39704
   37    36 S   O2Z  _O31    30     1.26401   115.97722    -1.55444
   38    36 S   O2Z  _O32    31     1.26400   114.45687   178.50381
   39    33 S   CT   _C16    39     1.53141   112.29519   144.20893
   40    39 S   HC   _H19    40     1.09783   108.42879   172.57659
   41    39 S   HC   _H20    41     1.09766   110.03769    57.61390
   42    39 S   C5A  _C6_    42     1.50302   113.25571   -67.51206
   43    42 S   C5B  _C5_    43     1.38219   130.02845   -71.73355
   44    43 S   N5P  _N4_    44     1.39719   112.42052   178.67028
   45    43 S   CT   _C4_    72     1.48320   127.73025    -0.46225
   46    45 S   HC   _H4_    73     1.09458   110.60171   111.65544
   47    45 S   HC   _H5_    74     1.09390   111.30903  -126.79115
   48    45 S   HC   _H6_    75     1.09433   111.52439    -7.71836
   49    44 S   CRP  _C7_    45     1.33100   114.32081    -0.98238
   50    44 S   CT   _C8_    55     1.47711   123.14819  -178.06104
   51    50 S   HC   _H7_    56     1.09497   107.07034   128.14937
   52    50 S   HC   _H8_    57     1.09339   111.60654    13.32525
   53    42 S   SA   _S1_    46     1.71179   120.02725   108.62347
   54    49 S   CT   _C14    47     1.49896   127.42133  -177.03833
   55    54 S   HC   _H3_    48     1.09189   111.37131    14.74510
   56    50 S   CA   _C9_    58     1.50626   111.96471  -108.69521
   57    54 S   CT   _C15    49     1.52176   112.84356  -108.52894
   58    57 S   HC   _H15    50     1.09579   111.63853   -63.06018
   59    57 S   HC   _H16    51     1.09564   110.13702   179.11067
   60    57 S   HC   _H17    52     1.09395   111.77644    58.49080
   61    54 S   OH   _O33    53     1.42517   107.24026   131.03204
   62    61 S   HO   _H18    54     0.97567   107.60448  -168.28481
   63    56 S   CA   _C10    59     1.38853   121.74807    41.45270
   64    63 S   HA   _H9_    60     1.08541   121.71330    -0.14265
   65    63 S   NB   _N5_    61     1.34664   124.58299  -179.68225
   66    65 S   CQ   _C11    62     1.34348   115.56245    -0.06853
   67    66 S   NB   _N6_    63     1.34843   125.07061    -1.82531
   68    66 S   CT   _C13    68     1.49511   117.50393  -179.43559
   69    68 S   HC   _H12    69     1.09383   109.69554    89.14752
   70    68 S   HC   _H13    70     1.09431   110.62952  -150.80366
   71    68 S   HC   _H14    71     1.09432   110.65154   -30.91368
   72    56 S   CA   _C12    64     1.39466   123.01224  -141.28983
   73    72 S   NE   _N7_    65     1.39190   121.24876     1.50285
   74    73 S   H    _H10    66     1.01180   118.97865   -37.36213
   75    73 S   H    _H11    67     1.01374   115.43530   177.40369
  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
   8   5   4   2   1   1   8   4   3  10  12  16   6   2   1   1
  13  11   4   3   4   7   6   9   5   3   2   1   1   1   7   3
   7   7   8   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    53  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    49    53    45  
   41    42    43    53  
   42    43    53  
   43    44    49    53    54    50    45    46    47    48  
   44    49    53    54    50    51    52    56    45    46    47    48  
   49    53    54    55    57    61    50    51    52    56    63    72    45    46    47    48  
   46    47    48    49    50    53  
   47    48  
   48  
    0  
   53    54    55    57    58    59    60    61    62    50    51    52    56  
   51    52    56    63    64    65    67    72    73    53    54  
   52    56    63    72  
   56    63    72  
   54    55    57    61  
   55    57    58    59    60    61    62  
   57    58    59    60    61    62  
   63    64    65    66    67    72    73    74    75  
   58    59    60    61    62  
   59    60    61  
   60    61  
   61  
   62  
    0  
   64    65    66    67    72    73    68  
   65    66    72  
   66    67    72    68    69    70    71  
   67    72    73    68    69    70    71  
   72    73    74    75    68    69    70    71  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.017400   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.028100   2.0020   1.7750   0.001000000  -0.843144165
   44   3.2500   0.1700   0.193300   1.9750   1.7500   0.001000000  -0.511443539
   45   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.068800   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5600   0.3950   0.315900   2.0080   1.7800   0.025682759  -1.666211680
   54   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.607000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   66   3.5500   0.0700   0.727000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   68   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   74   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.360000   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   340.000  1.090
   39    41   340.000  1.090
   39    42   295.000  1.489
   42    43   520.000  1.370
   42    53   265.000  1.745
   43    44   420.000  1.386
   43    45   295.000  1.494
   44    49   520.000  1.338
   44    50   300.000  1.456
   49    53   260.000  1.741
   49    54   290.000  1.488
   54    55   340.000  1.090
   54    57   268.000  1.529
   54    61   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   317.000  1.510
   56    63   469.000  1.400
   56    72   469.000  1.400
   63    64   367.000  1.080
   63    65   483.000  1.339
   65    66   502.000  1.324
   66    67   502.000  1.324
   66    68   317.000  1.510
   67    72   483.000  1.339
   72    73   481.000  1.340
   73    74   434.000  1.010
   73    75   434.000  1.010
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    70.00000  113.44400
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    55.00000  130.44200
   39    42    53    65.00000  123.52500
   41    39    40    33.00000  107.80000
   42    39    40    45.00000  110.47400
   42    39    41    45.00000  110.47400
   42    43    44    85.00000  109.61400
   42    43    45    55.00000  127.77900
   42    53    49   110.00000   90.05000
   43    44    49    80.00000  112.70000
   43    44    50    65.00000  125.09000
   43    45    46    45.00000  111.11700
   43    45    47    45.00000  111.11700
   43    45    48    45.00000  111.11700
   44    49    53    85.00000  110.81000
   44    49    54    60.00000  125.91000
   44    50    51    50.00000  107.70000
   44    50    52    50.00000  107.70000
   44    50    56    75.00000  110.34000
   49    54    55    45.00000  106.72000
   49    54    57    70.00000  112.17500
   49    54    61   105.00000   99.42000
   53    42    43    80.00000  111.29200
   54    49    53    60.00000  130.00000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    37.50000  110.70000
   54    61    62    55.00000  108.50000
   57    54    55    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    54    55    35.00000  109.50000
   61    54    57    50.00000  109.50000
   50    44    49    65.00000  121.70000
   50    56    63    70.00000  120.00000
   50    56    72    70.00000  120.00000
   52    50    51    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    52    35.00000  109.50000
   56    63    64    35.00000  120.00000
   56    63    65    70.00000  124.00000
   56    72    67    70.00000  124.00000
   56    72    73    70.00000  120.10000
   63    65    66    70.00000  118.60000
   65    63    64    35.00000  116.00000
   65    66    67    70.00000  129.10000
   65    66    68    75.00000  115.74700
   66    67    72    70.00000  118.60000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    35.00000  109.50000
   67    72    73    80.00000  117.25000
   72    56    63    63.00000  120.00000
   72    73    74    35.00000  113.50000
   72    73    75    35.00000  113.50000
   75    73    74    35.00000  109.00000
   68    66    67    75.00000  115.74700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   45    43    44    60.00000  130.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.04150 -1.0 2.0
   33    39    42    53  -1.00500  1.0 1.0
   33    39    42    53  -0.91300 -1.0 2.0
   33    39    42    53   0.11400  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.43200  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.43200  1.0 3.0
   39    42    43    44   3.62500 -1.0 2.0
   39    42    43    45   3.62500 -1.0 2.0
   39    42    53    49   3.62500 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    53   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    53   0.00000  1.0 1.0
   42    43   -44    49   3.62500 -1.0 2.0
   42    43    44    50   3.62500 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.00000  1.0 1.0
   42    43    45    48   0.00000  1.0 1.0
   43    42   -53    49   3.62500 -1.0 2.0
   43    44   -49    53   3.62500 -1.0 2.0
   43    44    49    54   3.62500 -1.0 2.0
   43    44    50    51   0.00000  1.0 1.0
   43    44    50    52   0.00000  1.0 1.0
   43    44    50    56   0.68100  1.0 1.0
   43    44    50    56   0.03350 -1.0 2.0
   43    44    50    56   0.36200  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.00000  1.0 1.0
   44    49   -53    42   3.62500 -1.0 2.0
   44    49    54    55   0.00000  1.0 1.0
   44    49    54    57   0.39850  1.0 1.0
   44    49    54    57   0.06450 -1.0 2.0
   44    49    54    57   0.32400  1.0 3.0
   44    49    54    61   0.04300 -1.0 2.0
   44    50    56    63   0.04300 -1.0 2.0
   44    50    56    72   0.04300 -1.0 2.0
   49    44    50    51   0.00000  1.0 1.0
   49    44    50    52   0.00000  1.0 1.0
   49    44    50    56   0.68100  1.0 1.0
   49    44    50    56   0.03350 -1.0 2.0
   49    44    50    56   0.36200  1.0 3.0
   49    54    57    58   0.43200  1.0 3.0
   49    54    57    59   0.43200  1.0 3.0
   49    54    57    60   0.43200  1.0 3.0
   49    54    61    62   0.31900  1.0 1.0
   49    54    61    62  -0.11800 -1.0 2.0
   49    54    61    62   0.38750  1.0 3.0
   53    42   -43    44   3.62500 -1.0 2.0
   53    42    43    45   3.62500 -1.0 2.0
   53    49    54    55   0.00000  1.0 1.0
   53    49    54    57  -1.00500  1.0 1.0
   53    49    54    57  -0.91300 -1.0 2.0
   53    49    54    57   0.11400  1.0 3.0
   53    49    54    61   0.04300 -1.0 2.0
   54    49    53    42   3.62500 -1.0 2.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   55    54    61    62   0.19450  1.0 3.0
   57    54    61    62  -0.11600  1.0 1.0
   57    54    61    62  -0.09450 -1.0 2.0
   57    54    61    62   0.21250  1.0 3.0
   61    54    57    58   0.23400  1.0 3.0
   61    54    57    59   0.23400  1.0 3.0
   61    54    57    60   0.23400  1.0 3.0
   50    44    49    53   3.62500 -1.0 2.0
   50    44    49    54   3.62500 -1.0 2.0
   50    56    63    64   3.62500 -1.0 2.0
   50    56    63    65   3.62500 -1.0 2.0
   50    56    72    67   3.62500 -1.0 2.0
   50    56    72    73   3.62500 -1.0 2.0
   51    50    56    63   0.00000  1.0 1.0
   51    50    56    72   0.00000  1.0 1.0
   52    50    56    63   0.00000  1.0 1.0
   52    50    56    72   0.00000  1.0 1.0
   56    63    65    66   3.62500 -1.0 2.0
   56    72    73    74   1.00000 -1.0 2.0
   56    72    73    75   1.00000 -1.0 2.0
   63    56    72    67   3.62500 -1.0 2.0
   63    56    72    73   3.62500 -1.0 2.0
   63    65   -66    67   3.62500 -1.0 2.0
   63    65    66    68   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   65    66    67    72   3.62500 -1.0 2.0
   65    66    68    69   0.00000  1.0 1.0
   65    66    68    70   0.00000  1.0 1.0
   65    66    68    71   0.00000  1.0 1.0
   66    67   -72    56   3.62500 -1.0 2.0
   66    67    72    73   3.62500 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.00000  1.0 1.0
   67    66    68    71   0.00000  1.0 1.0
   67    72    73    74   1.75000 -1.0 2.0
   67    72    73    75   1.75000 -1.0 2.0
   72    56    63    64   3.62500 -1.0 2.0
   72    56   -63    65   3.62500 -1.0 2.0
   68    66    67    72   3.62500 -1.0 2.0
   45    43    44    49   3.62500 -1.0 2.0
   45    43    44    50   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   43    53    42    39   4.00000 -1.0 2.0
   45    44    43    42   4.00000 -1.0 2.0
   49    50    44    43   4.00000 -1.0 2.0
   54    53    49    44   4.00000 -1.0 2.0
   63    72    56    50   4.00000 -1.0 2.0
   65    64    63    56   1.10000 -1.0 2.0
   68    67    66    65   4.00000 -1.0 2.0
   67    73    72    56   4.00000 -1.0 2.0
   75    72    73    74   1.00000 -1.0 2.0
END
