* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    130    220     386
    1     0 S   NP   _N1_     1    28.73371    94.23114   -21.24453
    2     1 S   H    _HN1     2     1.02779    89.16816   -83.98568
    3     1 S   H    _H1_     3     1.02961    92.73390    24.33443
    4     1 S   H    _H2_     4     1.02839    29.30855   145.22712
    5     1 S   CT   _CA1     5     1.50109   139.94390   151.15151
    6     5 S   HC   _HA1     6     1.09561   105.28399    56.12667
    7     5 S   CO3  _C1_     7     1.53827   112.38887   -64.30181
    8     7 S   O2Z  _O11     8     1.26369   114.98925   -42.31173
    9     7 S   O2Z  _O12     9     1.26221   114.98621   136.99220
   10     5 S   CT   _CB1    10     1.53098   107.46598   174.29405
   11    10 S   HC   HB11    11     1.09822   109.58996   -48.61050
   12    10 S   HC   HB12    12     1.09826   110.30068    68.02253
   13    10 S   CT   _CG1    13     1.53004   112.61763  -169.62637
   14    13 S   HC   HG11    14     1.09533   110.50339   -59.84358
   15    13 S   HC   HG12    15     1.09638   110.02629    59.32707
   16    13 S   C    _CD1    16     1.51779   112.24431   179.73681
   17    16 S   O    _OE1    17     1.22718   123.24335    -5.42307
   18    16 S   N    _N2_    18     1.38614   111.64156   174.69688
   19    18 S   H    _HN2    19     1.01593   119.04132     1.92732
   20    18 S   CT1  _CA2    20     1.46232   123.35828  -178.43615
   21    20 S   HC   _HA2    21     1.09729   109.44415   -10.26939
   22    20 S   C    _C2_    22     1.53425   108.45053  -126.03095
   23    22 S   O    _O2_    23     1.23016   122.18387  -146.15045
   24    20 S   CT   _CB2    32     1.53496   111.22835   111.78460
   25    24 S   HC   HB21    33     1.09343   109.22296    57.07008
   26    24 S   HC   HB22    34     1.09499   110.11064   175.10767
   27    22 S   N    _N3_    24     1.38484   113.39689    41.21018
   28    27 S   H    _HN3    25     1.01524   118.91094    -0.75147
   29    24 S   S    _SG2    35     1.83450   111.22680   -66.00496
   30    27 S   CT   _CA3    26     1.45471   123.58027   175.08406
   31    30 S   HC   HA31    27     1.09513   109.38906    20.98898
   32    30 S   HC   HA32    28     1.09500   107.07223   138.03477
   33    29 S   CT   _C24    36     1.89128   102.82642   152.16754
   34    30 S   CO3  _C3_    29     1.52931   113.05804  -102.58842
   35    34 S   O2Z  _O31    30     1.26407   115.39557   -43.71004
   36    34 S   O2Z  _O32    31     1.26352   114.98147   137.19922
   37    33 S   CA   _C20    37     1.54987   110.09322   170.06376
   38    33 S   CA   _C21    48     1.52647   108.86299    46.17336
   39    33 S   CT   _C23    60     1.58896   109.72486   -65.11825
   40    39 S   HC   _H38    61     1.09953   110.24577    18.18617
   41    37 S   CA   _C15    38     1.41072   121.39636    39.39260
   42    41 S   HA   _H35    39     1.08729   121.10150    -0.69295
   43    38 S   CA   _C17    49     1.39248   128.13136    56.94143
   44    43 S   HA   _H37    50     1.08580   121.11680    -1.61628
   45    39 S   CA   _C19    62     1.51513   118.21674  -104.40562
   46    41 S   CA   _C9_    40     1.39837   121.65575   178.02325
   47    46 S   HA   _H29    41     1.08638   119.80985   179.93744
   48    43 S   CA   _C11    51     1.39873   119.00989   177.89448
   49    48 S   HA   _H31    52     1.08698   119.68215   179.89532
   50    45 S   CA   _C13    63     1.40432   119.18010    93.80685
   51    50 S   HA   _H33    64     1.08711   120.41805     0.80746
   52    46 S   CA   _C5_    42     1.38951   120.17700    -0.61326
   53    52 S   HA   _H25    43     1.08576   120.20625  -179.81548
   54    48 S   CA   _C6_    53     1.40338   120.72805    -0.42475
   55    54 S   HA   _H26    54     1.08676   119.64354  -179.88131
   56    50 S   CA   _C7_    65     1.39570   120.79362  -178.90872
   57    56 S   HA   _H27    66     1.08639   119.93071  -179.87489
   58    52 S   CA   _C10    44     1.38979   119.57001    -0.50706
   59    58 S   HA   _H30    45     1.08648   119.94075  -179.05209
   60    54 S   CA   _C12    55     1.39393   120.49589     0.05234
   61    60 S   HA   _H32    56     1.08437   120.79999   179.95154
   62    56 S   CA   _C4_    67     1.39236   120.05557     0.21940
   63    62 S   HA   _H24    68     1.08601   120.02413   179.90721
   64    37 S   CA   _C16    46     1.40991   121.74678  -144.49940
   65    64 S   HA   _H36    47     1.08672   121.41399     0.99701
   66    38 S   CA   _C18    57     1.39166   112.78500  -125.56820
   67    62 S   CA   _C8_    69     1.39272   119.88016    -0.00000
   68    67 S   HA   _H28    70     1.08623   119.96811   179.80021
   69    66 S   CO4  _C22    58     1.45376   109.11744     2.45870
   70    69 S   O    _O22    59     1.21868   123.22518  -176.39229
   71    45 S   CA   _C14    71     1.40355   122.36339   -84.73542
   72    71 S   HA   _H34    72     1.08703   120.76045    -0.78009
  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  11   5   4   3
  20   2   1   1  16  15  15   6   8   4   8   4  12   6   3   6
   3   9   4   5   3   5   3   6   3   3   2   4   2   5   3   1
   1   2   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    64    38    43    66    69    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    46    58    64    65    38    43    44    48    60    66    69    70    39    40    45    50    71  
   35    36  
   36  
    0  
   41    42    46    47    52    58    59    64    65    38    43    66    69    39    40    45  
   43    44    48    49    54    60    61    66    69    70    39    40    45    41    64  
   40    45    50    51    56    67    71    72    41    43    60    64    66    69    70  
   45    50    71    66    69    70  
   42    46    47    52    53    58    64    65  
   46    47    52    64  
   44    48    49    54    55    60    66    69  
   48    49    54    66  
   50    51    56    57    62    67    68    71    72    66    69    70  
   47    52    53    58    59    64  
   52    53    58  
   49    54    55    60    61    66  
   54    55    60  
   51    56    57    62    63    67    71    72    69  
   56    57    62    71  
   53    58    59    64    65  
   58    59    64  
   55    60    61    66    69  
   60    61    66  
   57    62    63    67    68    71  
   62    63    67  
   59    64    65  
   64    65  
   61    66    69    70  
   66    69  
   63    67    68    71    72  
   67    68    71  
   65  
    0  
   69    70  
   68    71    72  
   71    72  
   70    71  
    0  
   72  
    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   0.397500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   317.000  1.510
   33    39   268.000  1.529
   37    41   469.000  1.400
   37    64   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   367.000  1.080
   46    52   469.000  1.400
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    65   367.000  1.080
   38    43   469.000  1.400
   38    66   469.000  1.400
   43    44   367.000  1.080
   43    48   469.000  1.400
   48    49   367.000  1.080
   48    54   469.000  1.400
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    61   367.000  1.080
   60    66   469.000  1.400
   66    69   310.000  1.470
   69    70   570.000  1.229
   69    39   317.000  1.522
   39    40   340.000  1.090
   39    45   317.000  1.510
   45    50   469.000  1.400
   45    71   469.000  1.400
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   367.000  1.080
   56    62   469.000  1.400
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    37    41    70.00000  120.00000
   33    37    64    70.00000  120.00000
   33    38    43    70.00000  120.00000
   33    38    66    70.00000  120.00000
   33    39    69    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    45    70.00000  112.17500
   37    41    42    35.00000  120.00000
   37    41    46    63.00000  120.00000
   37    64    58    63.00000  120.00000
   37    64    65    35.00000  120.00000
   41    46    47    35.00000  120.00000
   41    46    52    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    52    53    35.00000  120.00000
   46    52    58    63.00000  120.00000
   52    46    47    35.00000  120.00000
   52    58    59    35.00000  120.00000
   52    58    64    63.00000  120.00000
   58    52    53    35.00000  120.00000
   58    64    65    35.00000  120.00000
   64    37    41    63.00000  120.00000
   64    58    59    35.00000  120.00000
   38    33    37    70.00000  112.04700
   38    43    44    35.00000  120.00000
   38    43    48    63.00000  120.00000
   38    66    60    63.00000  120.00000
   38    66    69    60.00000  119.52600
   43    48    49    35.00000  120.00000
   43    48    54    63.00000  120.00000
   48    43    44    35.00000  120.00000
   48    54    55    35.00000  120.00000
   48    54    60    63.00000  120.00000
   54    48    49    35.00000  120.00000
   54    60    61    35.00000  120.00000
   54    60    66    63.00000  120.00000
   60    54    55    35.00000  120.00000
   60    66    69    60.00000  119.52600
   66    38    43    63.00000  120.00000
   66    60    61    35.00000  120.00000
   66    69    70    75.00000  123.78400
   66    69    39    65.00000  115.47100
   69    39    40    35.00000  109.50000
   69    39    45    70.00000  110.93000
   39    33    37    70.00000  112.17500
   39    33    38    70.00000  112.17500
   39    69    70    80.00000  120.40000
   39    45    50    70.00000  120.00000
   39    45    71    70.00000  120.00000
   45    39    40    35.00000  109.50000
   45    50    51    35.00000  120.00000
   45    50    56    63.00000  120.00000
   45    71    67    63.00000  120.00000
   45    71    72    35.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    62    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    62    63    35.00000  120.00000
   56    62    67    63.00000  120.00000
   62    56    57    35.00000  120.00000
   62    67    68    35.00000  120.00000
   62    67    71    63.00000  120.00000
   67    62    63    35.00000  120.00000
   67    71    72    35.00000  120.00000
   71    45    50    63.00000  120.00000
   71    67    68    35.00000  120.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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   0.01700  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    37    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    64  -0.16000  1.0 1.0
   29    33    37    64  -0.03200 -1.0 2.0
   29    33    37    64   0.04500  1.0 3.0
   29    33    38    43  -0.16000  1.0 1.0
   29    33    38    43  -0.03200 -1.0 2.0
   29    33    38    43   0.04500  1.0 3.0
   29    33    38    66  -0.16000  1.0 1.0
   29    33    38    66  -0.03200 -1.0 2.0
   29    33    38    66   0.04500  1.0 3.0
   29    33    39    69   0.56750  1.0 1.0
   29    33    39    69  -0.07550 -1.0 2.0
   29    33    39    69   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    37    41    42   3.62500 -1.0 2.0
   33    37    41    46   3.62500 -1.0 2.0
   33    37    64    58   3.62500 -1.0 2.0
   33    37    64    65   3.62500 -1.0 2.0
   33    38    43    44   3.62500 -1.0 2.0
   33    38    43    48   3.62500 -1.0 2.0
   33    38    66    60   3.62500 -1.0 2.0
   33    38   -66    69   3.62500 -1.0 2.0
   33    39    45    50   0.04150 -1.0 2.0
   33    39    45    71   0.04150 -1.0 2.0
   37    33    38    43   0.04300 -1.0 2.0
   37    33    38    66   0.04300 -1.0 2.0
   37    33    39    69   0.56750  1.0 1.0
   37    33    39    69  -0.07550 -1.0 2.0
   37    33    39    69   0.20000  1.0 3.0
   37    33    39    40   0.43200  1.0 3.0
   37    33    39    45  -0.94300  1.0 1.0
   37    33    39    45   1.32550 -1.0 2.0
   37    33    39    45  -0.07100  1.0 3.0
   37    41    46    47   3.62500 -1.0 2.0
   37    41    46    52   3.62500 -1.0 2.0
   41    37    64    58   3.62500 -1.0 2.0
   41    37    64    65   3.62500 -1.0 2.0
   41    46    52    53   3.62500 -1.0 2.0
   41    46   -52    58   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    52   3.62500 -1.0 2.0
   46    52    58    59   3.62500 -1.0 2.0
   46    52    58    64   3.62500 -1.0 2.0
   47    46    52    53   3.62500 -1.0 2.0
   47    46    52    58   3.62500 -1.0 2.0
   52    58   -64    37   3.62500 -1.0 2.0
   52    58    64    65   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   53    52    58    64   3.62500 -1.0 2.0
   59    58    64    37   3.62500 -1.0 2.0
   59    58    64    65   3.62500 -1.0 2.0
   64    37    41    42   3.62500 -1.0 2.0
   64    37   -41    46   3.62500 -1.0 2.0
   38    33    37    41   0.04300 -1.0 2.0
   38    33    37    64   0.04300 -1.0 2.0
   38    33   -39    69   0.56750  1.0 1.0
   38    33   -39    69  -0.07550 -1.0 2.0
   38    33   -39    69   0.20000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    45  -0.94300  1.0 1.0
   38    33    39    45   1.32550 -1.0 2.0
   38    33    39    45  -0.07100  1.0 3.0
   38    43    48    49   3.62500 -1.0 2.0
   38    43    48    54   3.62500 -1.0 2.0
   38    66    69    70   1.05000 -1.0 2.0
   38    66   -69    39   2.26350  1.0 1.0
   38    66   -69    39   0.76750 -1.0 2.0
   38    66   -69    39   0.22500  1.0 3.0
   43    38    66    60   3.62500 -1.0 2.0
   43    38    66    69   3.62500 -1.0 2.0
   43    48    54    55   3.62500 -1.0 2.0
   43    48   -54    60   3.62500 -1.0 2.0
   44    43    48    49   3.62500 -1.0 2.0
   44    43    48    54   3.62500 -1.0 2.0
   48    54    60    61   3.62500 -1.0 2.0
   48    54    60    66   3.62500 -1.0 2.0
   49    48    54    55   3.62500 -1.0 2.0
   49    48    54    60   3.62500 -1.0 2.0
   54    60   -66    38   3.62500 -1.0 2.0
   54    60    66    69   3.62500 -1.0 2.0
   55    54    60    61   3.62500 -1.0 2.0
   55    54    60    66   3.62500 -1.0 2.0
   60    66    69    70   1.05000 -1.0 2.0
   60    66    69    39   2.26350  1.0 1.0
   60    66    69    39   0.76750 -1.0 2.0
   60    66    69    39   0.22500  1.0 3.0
   61    60    66    38   3.62500 -1.0 2.0
   61    60    66    69   3.62500 -1.0 2.0
   66    38    43    44   3.62500 -1.0 2.0
   66    38   -43    48   3.62500 -1.0 2.0
   66    69   -39    33   0.05850 -1.0 2.0
   66    69   -39    33   0.17250  1.0 3.0
   66    69    39    40   0.00000  1.0 1.0
   66    69    39    45   0.65300  1.0 1.0
   66    69    39    45  -0.03850 -1.0 2.0
   66    69    39    45   0.33900  1.0 3.0
   69    39    45    50   0.04300 -1.0 2.0
   69    39    45    71   0.04300 -1.0 2.0
   70    69    39    33   0.30150 -1.0 2.0
   70    69    39    40   0.00000  1.0 1.0
   70    69    39    45   0.30150 -1.0 2.0
   39    33    37    41   0.04150 -1.0 2.0
   39    33    37    64   0.04150 -1.0 2.0
   39    33    38    43   0.04150 -1.0 2.0
   39    33   -38    66   0.04150 -1.0 2.0
   39    45    50    51   3.62500 -1.0 2.0
   39    45    50    56   3.62500 -1.0 2.0
   39    45    71    67   3.62500 -1.0 2.0
   39    45    71    72   3.62500 -1.0 2.0
   40    39    45    50   0.00000  1.0 1.0
   40    39    45    71   0.00000  1.0 1.0
   45    50    56    57   3.62500 -1.0 2.0
   45    50    56    62   3.62500 -1.0 2.0
   50    45    71    67   3.62500 -1.0 2.0
   50    45    71    72   3.62500 -1.0 2.0
   50    56    62    63   3.62500 -1.0 2.0
   50    56   -62    67   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   51    50    56    62   3.62500 -1.0 2.0
   56    62    67    68   3.62500 -1.0 2.0
   56    62    67    71   3.62500 -1.0 2.0
   57    56    62    63   3.62500 -1.0 2.0
   57    56    62    67   3.62500 -1.0 2.0
   62    67   -71    45   3.62500 -1.0 2.0
   62    67    71    72   3.62500 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   63    62    67    71   3.62500 -1.0 2.0
   68    67    71    45   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   71    45    50    51   3.62500 -1.0 2.0
   71    45   -50    56   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   41    64    37    33   4.00000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
   52    47    46    41   1.10000 -1.0 2.0
   58    53    52    46   1.10000 -1.0 2.0
   64    59    58    52   1.10000 -1.0 2.0
   58    65    64    37   1.10000 -1.0 2.0
   43    66    38    33   4.00000 -1.0 2.0
   48    44    43    38   1.10000 -1.0 2.0
   54    49    48    43   1.10000 -1.0 2.0
   60    55    54    48   1.10000 -1.0 2.0
   66    61    60    54   1.10000 -1.0 2.0
   60    69    66    38   4.00000 -1.0 2.0
   66    39    69    70  10.50000 -1.0 2.0
   50    71    45    39   4.00000 -1.0 2.0
   56    51    50    45   1.10000 -1.0 2.0
   62    57    56    50   1.10000 -1.0 2.0
   67    63    62    56   1.10000 -1.0 2.0
   71    68    67    62   1.10000 -1.0 2.0
   67    72    71    45   1.10000 -1.0 2.0
END
