* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    130    183     366
    1     0 S   NP   _N1_     1    28.66584    97.51018   -23.86778
    2     1 S   H    _HN1     2     1.02954    69.53957    -3.72689
    3     1 S   H    _H1_     3     1.02828    38.50814   162.68369
    4     1 S   H    _H2_     4     1.02792   112.01758  -105.92161
    5     1 S   CT   _CA1     5     1.50120   132.82701    95.55962
    6     5 S   HC   _HA1     6     1.09574   105.20138    96.92285
    7     5 S   CO3  _C1_     7     1.53777   112.47642   -23.30764
    8     7 S   O2Z  _O11     8     1.26367   115.00973   -42.62424
    9     7 S   O2Z  _O12     9     1.26243   114.93702   136.52418
   10     5 S   CT   _CB1    10     1.53062   107.39770  -145.13520
   11    10 S   HC   HB11    11     1.09837   109.31588   -50.13782
   12    10 S   HC   HB12    12     1.09816   110.43928    66.41769
   13    10 S   CT   _CG1    13     1.53012   112.68500  -171.16629
   14    13 S   HC   HG11    14     1.09580   110.61783   -65.82837
   15    13 S   HC   HG12    15     1.09660   109.84852    53.45660
   16    13 S   C    _CD1    16     1.51751   112.13291   173.83627
   17    16 S   O    _OE1    17     1.22770   123.28105     5.29091
   18    16 S   N    _N2_    18     1.38643   111.85967  -174.70872
   19    18 S   H    _HN2    19     1.01566   119.04346     2.92235
   20    18 S   CT1  _CA2    20     1.45982   122.79176   176.98552
   21    20 S   HC   _HA2    21     1.09564   109.65737    16.61037
   22    20 S   C    _C2_    22     1.52951   105.83993   -99.50776
   23    22 S   O    _O2_    23     1.22937   122.80977  -108.70852
   24    20 S   CT   _CB2    32     1.53103   111.81745   139.33969
   25    24 S   HC   HB21    33     1.09578   110.53305    51.15226
   26    24 S   HC   HB22    34     1.09402   109.68852   170.46820
   27    22 S   N    _N3_    24     1.38466   112.81421    71.13172
   28    27 S   H    _HN3    25     1.01691   119.78479    -0.27483
   29    24 S   S    _SG2    35     1.82464   110.93085   -69.84416
   30    27 S   CT   _CA3    26     1.45252   122.81117   179.31729
   31    30 S   HC   HA31    27     1.09563   107.28207   -66.72746
   32    30 S   HC   HA32    28     1.09556   108.15133    49.64091
   33    29 S   CT   _C17    36     1.82713    99.92281   168.82435
   34    33 S   HC   _H16    37     1.09527   106.28695  -172.90198
   35    33 S   HC   _H17    38     1.09451   108.76678   -57.17828
   36    30 S   CO3  _C3_    29     1.52888   114.32525   171.67253
   37    36 S   O2Z  _O31    30     1.26334   116.14593    -5.56697
   38    36 S   O2Z  _O32    31     1.26438   114.40553   174.58101
   39    33 S   CT   _C16    39     1.52705   114.00681    66.60977
   40    39 S   HC   _H14    40     1.09550   110.95837   -59.28413
   41    39 S   HC   _H15    41     1.09689   107.71576  -178.49312
   42    39 S   OS   _O36    42     1.42605   108.94926    63.02821
   43    42 S   CA   _C15    43     1.36743   118.22613  -179.48756
   44    43 S   CA   _C14    44     1.39880   124.41709    -5.90086
   45    44 S   HA   _H13    45     1.08550   121.90047    -0.31404
   46    44 S   CA   _C13    46     1.39811   120.54917   179.70261
   47    46 S   HA   _H12    47     1.08661   119.78858  -179.96044
   48    46 S   CA   _C12    48     1.39288   120.37966     0.03956
   49    48 S   HA   _H11    49     1.08623   120.00965  -179.90721
   50    48 S   CA   _C11    50     1.39247   120.00489     0.03426
   51    50 S   HA   _H10    51     1.08526   118.71158  -179.65736
   52    43 S   CA   _C10    52     1.40607   117.27232   173.98507
   53    52 S   SY   _S1_    53     1.81806   119.80412    -0.78932
   54    53 S   OY   _O34    54     1.46138   101.67815    55.26399
   55    53 S   OY   _O35    55     1.46153   103.15195   173.99645
   56    53 S   NM   _N8_    56     1.59207   104.55591   -66.11969
   57    56 S   C    _C9_    57     1.33332   117.11566   176.38670
   58    57 S   O    _O37    58     1.23533   126.81482    -4.38226
   59    57 S   N    _N7_    59     1.39365   115.62151   175.89115
   60    59 S   H    _H9_    60     1.01478   115.64629   178.48418
   61    59 S   CQ   _C6_    61     1.41304   130.44025    -2.33800
   62    61 S   NB   _N4_    62     1.34503   114.93444  -179.63043
   63    62 S   CQ   _C5_    63     1.34488   115.75370   179.22722
   64    63 S   NB   _N6_    64     1.34115   125.06615    -0.00000
   65    63 S   CT   _C4_    72     1.49502   117.17771   179.06875
   66    65 S   HC   _H3_    73     1.09407   110.02266    55.28180
   67    65 S   HC   _H4_    74     1.09423   111.10699   175.29160
   68    65 S   HC   _H5_    75     1.09390   109.82461   -64.55584
   69    64 S   CQ   _C7_    65     1.33874   114.44810     0.12667
   70    61 S   NB   _N5_    66     1.34183   121.42217    -0.18663
   71    69 S   OS   _O33    67     1.38423   114.60078   179.58599
   72    71 S   CT   _C8_    68     1.42440   113.86600  -179.19741
   73    72 S   HC   _H6_    69     1.09408   107.84464   179.94065
   74    72 S   HC   _H7_    70     1.09446   111.01432    62.06616
   75    72 S   HC   _H8_    71     1.09535   111.18505   -62.02946
  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
   7   5   4   2   1   1   6   3   2   7  12   8   4   6   3   5
   3   6   2   5   6   3   2   5   6   3   6   3   7   8   8   8
   4   2   1   1   6   2   4   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  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    52  
   41    42    43  
   42    43  
   43    44    45    46    50    52    53  
   44    45    46    47    48    50    51    52    53    54    55    56  
   45    46    47    48    49    50    52    53  
   46    47    48    52  
   47    48    49    50    51    52  
   48    49    50  
   49    50    51    52    53  
   50    51    52  
   51    52    53    54    55    56  
   52    53  
   53    54    55    56    57  
   54    55    56    57    58    59  
   55    56    57  
   56    57  
   57    58    59    60    61  
   58    59    60    61    62    70  
   59    60    61  
   60    61    62    63    69    70  
   61    62    70  
   62    63    64    69    70    71    65  
   63    64    69    70    65    66    67    68  
   64    69    70    71    65    66    67    68  
   69    70    71    72    65    66    67    68  
   66    67    68    69  
   67    68  
   68  
    0  
   70    71    72    73    74    75  
   71    72  
   72    73    74    75  
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.395200   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.2500   1.758100   2.0020   1.7750   0.025682759  -1.666211680
   54   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   55   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   56   3.4200   0.1700  -0.917200   1.9310   1.7100   0.005000000   0.000000000
   57   3.7500   0.1050   0.745000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.2500   0.1700  -0.498700   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   61   3.5500   0.0700   1.011200   2.0020   1.7750   0.001000000  -0.843144165
   62   3.2800   0.1700  -0.926200   1.8000   1.6000   0.001000000  -0.511443539
   63   3.5500   0.0700   0.811200   2.0020   1.7750   0.001000000  -0.843144165
   64   3.2800   0.1700  -0.926200   1.8000   1.6000   0.001000000  -0.511443539
   65   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700   1.026200   2.5000   1.7750   0.001000000  -0.843144165
   70   3.2800   0.1700  -0.926200   1.8000   1.6000   0.001000000  -0.511443539
   71   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   320.000  1.410
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    52   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   225.000  1.779
   53    54   735.000  1.471
   53    55   735.000  1.471
   53    56   350.000  1.613
   56    57   495.000  1.346
   57    58   570.000  1.229
   57    59   490.000  1.335
   59    60   434.000  1.010
   59    61   380.000  1.360
   61    62   502.000  1.324
   61    70   502.000  1.324
   62    63   502.000  1.324
   63    64   502.000  1.324
   63    65   317.000  1.510
   64    69   502.000  1.324
   69    70   502.000  1.324
   69    71   480.000  1.338
   71    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    75.00000  111.00000
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    52    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    52    50    63.00000  120.00000
   43    52    53    65.00000  117.06700
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    35.00000  120.00000
   46    48    50    63.00000  120.00000
   48    46    47    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    52    53    65.00000  117.06700
   52    43    44    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    53    54   100.00000  107.67100
   52    53    55   100.00000  107.67100
   52    53    56   105.00000   98.50000
   53    56    57    75.00000  119.03800
   55    53    54   115.00000  120.17200
   56    53    54   105.00000  114.79700
   56    53    55   105.00000  114.79700
   56    57    58    85.00000  128.94100
   56    57    59    80.00000  119.15700
   57    59    60    35.00000  119.80000
   57    59    61    60.00000  123.52000
   59    57    58    80.00000  122.90000
   59    61    62    80.00000  116.09000
   59    61    70    80.00000  116.09000
   61    59    60    45.00000  118.23600
   61    62    63    85.00000  113.71000
   61    70    69    85.00000  113.71000
   62    63    64    70.00000  129.10000
   62    63    65    75.00000  115.74700
   63    64    69    85.00000  113.71000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    35.00000  109.50000
   64    69    70    70.00000  129.10000
   64    69    71    95.00000  114.59000
   69    71    72    90.00000  112.27000
   70    61    62    70.00000  129.10000
   71    69    70    95.00000  114.59000
   71    72    73    35.00000  109.50000
   71    72    74    35.00000  109.50000
   71    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   65    63    64    75.00000  115.74700
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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  -0.32850  1.0 1.0
   33    39    42    43  -0.35800 -1.0 2.0
   33    39    42    43   0.33950  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   0.23400  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   0.23400  1.0 3.0
   39    42    43    44   1.63200 -1.0 2.0
   39    42    43    52   1.63200 -1.0 2.0
   40    39    42    43   0.08050  1.0 3.0
   41    39    42    43   0.08050  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    52    50   3.62500 -1.0 2.0
   42    43    52    53   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   43    52    53    54   0.19500  1.0 1.0
   43    52    53    54   0.12000 -1.0 2.0
   43    52    53    55   0.19500  1.0 1.0
   43    52    53    55   0.12000 -1.0 2.0
   43    52    53    56  -0.49050  1.0 1.0
   43    52    53    56   0.22250 -1.0 2.0
   43    52    53    56  -0.39350  1.0 3.0
   44    43    52    50   3.62500 -1.0 2.0
   44    43    52    53   3.62500 -1.0 2.0
   44    46    48    49   3.62500 -1.0 2.0
   44    46   -48    50   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    50    51   3.62500 -1.0 2.0
   46    48    50    52   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    50   -52    43   3.62500 -1.0 2.0
   48    50    52    53   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    52    53    54   0.19500  1.0 1.0
   50    52    53    54   0.12000 -1.0 2.0
   50    52    53    55   0.19500  1.0 1.0
   50    52    53    55   0.12000 -1.0 2.0
   50    52    53    56  -0.49050  1.0 1.0
   50    52    53    56   0.22250 -1.0 2.0
   50    52    53    56  -0.39350  1.0 3.0
   51    50    52    43   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   52    43    44    45   3.62500 -1.0 2.0
   52    43   -44    46   3.62500 -1.0 2.0
   52    53    56    57  -0.64500  1.0 1.0
   52    53    56    57  -1.19050 -1.0 2.0
   52    53    56    57  -0.04400  1.0 3.0
   53    56    57    58   7.00000 -1.0 2.0
   53    56    57    59   3.00000 -1.0 2.0
   54    53    56    57   0.64800  1.0 1.0
   54    53    56    57   0.05750 -1.0 2.0
   54    53    56    57   0.28250  1.0 3.0
   55    53    56    57   0.64800  1.0 1.0
   55    53    56    57   0.05750 -1.0 2.0
   55    53    56    57   0.28250  1.0 3.0
   56    57    59    60   2.56700 -1.0 2.0
   56    57    59    61   2.45000 -1.0 2.0
   57    59    61    62   0.96250 -1.0 2.0
   57    59    61    70   0.96250 -1.0 2.0
   58    57    59    60   2.45000 -1.0 2.0
   58    57    59    61   0.04000 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61    70    69   3.62500 -1.0 2.0
   60    59    61    62   0.96250 -1.0 2.0
   60    59    61    70   0.96250 -1.0 2.0
   61    62    63    64   3.62500 -1.0 2.0
   61    62    63    65   3.62500 -1.0 2.0
   62    61    70    69   3.62500 -1.0 2.0
   62    63   -64    69   3.62500 -1.0 2.0
   62    63    65    66   0.00000  1.0 1.0
   62    63    65    67   0.00000  1.0 1.0
   62    63    65    68   0.00000  1.0 1.0
   63    64    69    70   3.62500 -1.0 2.0
   63    64    69    71   3.62500 -1.0 2.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    68   0.00000  1.0 1.0
   64    69   -70    61   3.62500 -1.0 2.0
   64    69    71    72   2.62500 -1.0 2.0
   69    71    72    73   0.08050  1.0 3.0
   69    71    72    74   0.08050  1.0 3.0
   69    71    72    75   0.08050  1.0 3.0
   70    61   -62    63   3.62500 -1.0 2.0
   70    69    71    72   2.62500 -1.0 2.0
   71    69    70    61   3.62500 -1.0 2.0
   65    63    64    69   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
   44    52    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   50    53    52    43   4.00000 -1.0 2.0
   56    59    57    58  10.50000 -1.0 2.0
   60    57    59    61   1.00000 -1.0 2.0
   62    70    61    59   4.00000 -1.0 2.0
   65    64    63    62   4.00000 -1.0 2.0
   70    71    69    64   4.00000 -1.0 2.0
END
