* LIGAND DATABASE FILE (OPLS2005)
*
001      70    74    129    220     384
    1     0 S   NP   _N1_     1    28.55362    95.13136   -22.49076
    2     1 S   H    _HN1     2     1.02960    82.27407    28.88709
    3     1 S   H    _H1_     3     1.02835    31.22371   171.43523
    4     1 S   H    _H2_     4     1.02777    98.90823   -78.57379
    5     1 S   CT   _CA1     5     1.50118   139.17829   141.26022
    6     5 S   HC   _HA1     6     1.09575   105.22917    75.29493
    7     5 S   CO3  _C1_     7     1.53786   112.43405   -44.90948
    8     7 S   O2Z  _O11     8     1.26357   115.00368   -42.80488
    9     7 S   O2Z  _O12     9     1.26242   114.92662   136.41738
   10     5 S   CT   _CB1    10     1.53102   107.43373  -166.78221
   11    10 S   HC   HB11    11     1.09824   109.32105   -50.80680
   12    10 S   HC   HB12    12     1.09819   110.40927    65.74160
   13    10 S   CT   _CG1    13     1.53008   112.68605  -171.92151
   14    13 S   HC   HG11    14     1.09596   110.43165   -64.04899
   15    13 S   HC   HG12    15     1.09653   109.98316    55.16975
   16    13 S   C    _CD1    16     1.51817   112.35933   175.51826
   17    16 S   O    _OE1    17     1.22715   123.27400    -2.24690
   18    16 S   N    _N2_    18     1.38640   111.61019   177.99924
   19    18 S   H    _HN2    19     1.01579   118.99607     1.44672
   20    18 S   CT1  _CA2    20     1.46183   123.39721   179.89532
   21    20 S   HC   _HA2    21     1.09733   109.44843    -6.54781
   22    20 S   C    _C2_    22     1.53463   108.27652  -122.18459
   23    22 S   O    _O2_    23     1.23024   122.23154  -144.40015
   24    20 S   CT   _CB2    32     1.53408   111.57217   115.55822
   25    24 S   HC   HB21    33     1.09575   109.90655    55.98711
   26    24 S   HC   HB22    34     1.09408   109.75511   175.01068
   27    22 S   N    _N3_    24     1.38501   113.41699    42.80919
   28    27 S   H    _HN3    25     1.01513   118.96060    -0.49575
   29    24 S   S    _SG2    35     1.82660   111.74128   -65.25523
   30    27 S   CT   _CA3    26     1.45456   123.47364   175.20519
   31    30 S   HC   HA31    27     1.09520   109.30412    23.39546
   32    30 S   HC   HA32    28     1.09498   107.11280   140.40793
   33    29 S   CT   _C23    36     1.85594   100.24453   167.34649
   34    33 S   HC   _H3_    37     1.09669   107.06206   -43.34723
   35    30 S   CO3  _C3_    29     1.52917   113.03205  -100.12337
   36    35 S   O2Z  _O31    30     1.26407   115.36155   -45.59823
   37    35 S   O2Z  _O32    31     1.26349   115.00842   135.30879
   38    33 S   CA   _C20    38     1.51927   110.58995    77.64741
   39    33 S   CT   _C22    65     1.54325   110.44419  -160.16598
   40    39 S   HC   _H33    66     1.09908   108.56849   169.28998
   41    38 S   CA   _C11    39     1.39857   119.44837   -90.47528
   42    41 S   HA   _H31    40     1.08941   118.98896    -5.18247
   43    38 S   CR3  _C18    64     1.41120   119.94954    85.55821
   44    39 S   OH   _O22    67     1.42581   111.25345    52.75709
   45    44 S   HO   _H36    68     0.97206   107.74572    51.54238
   46    41 S   CA   _C14    41     1.39504   121.29294   173.30116
   47    46 S   CA   _C8_    42     1.40627   119.26624  -179.66138
   48    47 S   HA   _H28    43     1.08869   120.52327    -0.74730
   49    47 S   CA   _C10    44     1.39059   121.09894   179.04407
   50    49 S   HA   _H30    45     1.08578   120.12738  -179.97202
   51    49 S   CA   _C21    46     1.38366   119.04403    -0.10835
   52    51 S   CA   _C12    47     1.39699   120.73503     0.05234
   53    52 S   HA   _H32    48     1.08625   117.63778   179.75213
   54    51 S   OH   _O21    69     1.36640   118.13682  -179.97202
   55    54 S   HO   _H35    70     0.97224   108.75911   179.93439
   56    46 S   CA   _C16    49     1.41729   119.88298    -0.66086
   57    56 S   CA   _C15    50     1.44100   119.14665     1.24568
   58    57 S   CA   _C7_    51     1.41262   123.31002  -178.03357
   59    58 S   HA   _H27    52     1.08677   121.27248     0.84465
   60    58 S   CA   _C6_    53     1.39583   122.37369  -179.94405
   61    60 S   HA   _H26    54     1.08818   118.64762  -179.26140
   62    60 S   CA   _C13    55     1.39296   120.59650     2.26702
   63    62 S   CA   _C5_    56     1.40348   120.61866   177.85032
   64    63 S   HA   _H25    57     1.08812   120.59954     1.86928
   65    63 S   CA   _C4_    58     1.39177   120.68703  -177.16786
   66    65 S   HA   _H24    59     1.08614   120.05181   179.24385
   67    65 S   CA   _C9_    60     1.39015   119.87911     0.83181
   68    67 S   HA   _H29    61     1.08682   118.88748   177.29173
   69    67 S   CA   _C19    62     1.40243   120.33193    -1.82209
   70    62 S   CR3  _C17    63     1.41195   119.16514    -1.14244
  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   9   5   4   3
  14   7   2   1   1  14  11   5  10   4  12   4   1  10   8   4
   7   3   6   6   3   2   1   5   7   6   3   7   3   7   7   4
   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    69    43    39    40    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    57    67    69    70    43    39    40    44    45  
   38    41    69    43    39    40    44  
   36    37  
   37  
    0  
   41    42    46    47    56    57    58    62    69    70    43    39    40    44  
   40    44    45    41    43    62    65    67    68    69    70  
   44    45    67    69    70  
   42    46    47    48    49    52    56    57    70    43  
   46    47    56    43  
   46    52    56    57    58    59    60    62    63    67    69    70  
   45    67    69    70  
   69  
   47    48    49    50    51    52    53    56    57    58  
   48    49    50    51    52    56    57    54  
   49    50    51    56  
   50    51    52    53    56    54    55  
   51    52    54  
   52    53    56    57    54    55  
   53    56    57    58    54    55  
   56    57    54  
   55    56  
    0  
   57    58    59    60    70  
   58    59    60    61    62    69    70  
   59    60    61    62    63    70  
   60    61    62  
   61    62    63    64    65    69    70  
   62    63    70  
   63    64    65    66    67    69    70  
   64    65    66    67    68    69    70  
   65    66    67    70  
   66    67    68    69    70  
   67    68    69  
   68    69    70  
   69    70  
   70  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    43   490.000  1.398
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   469.000  1.400
   46    56   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   469.000  1.400
   51    54   450.000  1.364
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   469.000  1.400
   57    58   469.000  1.400
   57    43   490.000  1.398
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   469.000  1.400
   62    70   490.000  1.398
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   490.000  1.398
   69    39   317.000  1.510
   70    43   490.000  1.398
   39    40   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
   54    55   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    43    80.00000  105.07000
   33    39    69    70.00000  112.17500
   33    39    40    37.50000  110.70000
   33    39    44    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    43    57    60.00000  130.80000
   38    43    70    60.00000  130.80000
   41    46    47    63.00000  120.00000
   41    46    56    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    49    63.00000  120.00000
   46    56    52    63.00000  120.00000
   46    56    57    63.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    51    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    51    52    63.00000  120.00000
   49    51    54    70.00000  120.00000
   51    49    50    35.00000  120.00000
   51    52    53    35.00000  120.00000
   51    52    56    63.00000  120.00000
   51    54    55    35.00000  113.00000
   52    56    57    63.00000  120.00000
   56    46    47    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    57    58    63.00000  120.00000
   56    57    43    70.00000  112.88000
   57    58    59    35.00000  120.00000
   57    58    60    63.00000  120.00000
   57    43    70    60.00000  130.80000
   58    60    61    35.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    63.00000  120.00000
   60    62    70    70.00000  112.88000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    65    63.00000  120.00000
   62    70    69    60.00000  130.80000
   62    70    43    60.00000  130.80000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    70.00000  112.88000
   67    69    39    70.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    43    60.00000  130.80000
   69    39    40    35.00000  109.50000
   69    39    44    90.00000  112.51600
   70    62    63    70.00000  112.88000
   43    38    41    70.00000  112.88000
   43    57    58    70.00000  112.88000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    69    70    80.00000  105.07000
   39    44    45    55.00000  108.50000
   44    39    40    35.00000  109.50000
   54    51    52    70.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    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    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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    43    57   3.62500 -1.0 2.0
   33    38    43    70   3.62500 -1.0 2.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    39    69   0.43200  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   38    33    39    69  -0.94300  1.0 1.0
   38    33    39    69   1.32550 -1.0 2.0
   38    33    39    69  -0.07100  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    44   1.13150  1.0 1.0
   38    33    39    44  -1.01400 -1.0 2.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    56   3.62500 -1.0 2.0
   41    38    43    57   3.62500 -1.0 2.0
   41    38    43    70   3.62500 -1.0 2.0
   41    46    47    48   3.62500 -1.0 2.0
   41    46    47    49   3.62500 -1.0 2.0
   41    46    56    52   3.62500 -1.0 2.0
   41    46   -56    57   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    56   3.62500 -1.0 2.0
   46    47    49    50   3.62500 -1.0 2.0
   46    47    49    51   3.62500 -1.0 2.0
   46    56    57    58   3.62500 -1.0 2.0
   46    56    57    43   3.62500 -1.0 2.0
   47    46    56    52   3.62500 -1.0 2.0
   47    46    56    57   3.62500 -1.0 2.0
   47    49   -51    52   3.62500 -1.0 2.0
   47    49    51    54   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    51    52    53   3.62500 -1.0 2.0
   49    51    52    56   3.62500 -1.0 2.0
   49    51    54    55   0.84100 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    54   3.62500 -1.0 2.0
   51    52   -56    46   3.62500 -1.0 2.0
   51    52    56    57   3.62500 -1.0 2.0
   52    51    54    55   0.84100 -1.0 2.0
   52    56    57    58   3.62500 -1.0 2.0
   52    56    57    43   3.62500 -1.0 2.0
   53    52    56    46   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   56    46    47    48   3.62500 -1.0 2.0
   56    46   -47    49   3.62500 -1.0 2.0
   56    57    58    59   3.62500 -1.0 2.0
   56    57    58    60   3.62500 -1.0 2.0
   56    57   -43    38   3.62500 -1.0 2.0
   56    57    43    70   3.62500 -1.0 2.0
   57    58    60    61   3.62500 -1.0 2.0
   57    58    60    62   3.62500 -1.0 2.0
   58    57    43    38   3.62500 -1.0 2.0
   58    57    43    70   3.62500 -1.0 2.0
   58    60    62    63   3.62500 -1.0 2.0
   58    60   -62    70   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62    63    65   3.62500 -1.0 2.0
   60    62    70    69   3.62500 -1.0 2.0
   60    62    70    43   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    70   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    67   3.62500 -1.0 2.0
   62    70    43    38   3.62500 -1.0 2.0
   62    70   -43    57   3.62500 -1.0 2.0
   63    62    70    69   3.62500 -1.0 2.0
   63    62    70    43   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65   -67    69   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   65    67    69    39   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69   -70    62   3.62500 -1.0 2.0
   67    69    70    43   3.62500 -1.0 2.0
   67    69    39    33   0.04150 -1.0 2.0
   67    69    39    40   0.00000  1.0 1.0
   67    69    39    44   0.14300 -1.0 2.0
   67    69    39    44   0.00300  1.0 3.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    39   3.62500 -1.0 2.0
   69    70   -43    38   3.62500 -1.0 2.0
   69    70    43    57   3.62500 -1.0 2.0
   69    39    44    45   0.31900  1.0 1.0
   69    39    44    45  -0.11800 -1.0 2.0
   69    39    44    45   0.38750  1.0 3.0
   70    62    63    64   3.62500 -1.0 2.0
   70    62   -63    65   3.62500 -1.0 2.0
   70    69   -39    33   0.04150 -1.0 2.0
   70    69    39    40   0.00000  1.0 1.0
   70    69    39    44   0.14300 -1.0 2.0
   70    69    39    44   0.00300  1.0 3.0
   43    38    41    42   3.62500 -1.0 2.0
   43    38   -41    46   3.62500 -1.0 2.0
   43    57    58    59   3.62500 -1.0 2.0
   43    57   -58    60   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    43   0.04150 -1.0 2.0
   39    69    70    62   3.62500 -1.0 2.0
   39    69   -70    43   3.62500 -1.0 2.0
   40    39    44    45   0.19450  1.0 3.0
   54    51    52    53   3.62500 -1.0 2.0
   54    51    52    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
   37    30    35    36  10.50000 -1.0 2.0
   41    43    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   47    56    46    41   4.00000 -1.0 2.0
   49    48    47    46   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   52    54    51    49   4.00000 -1.0 2.0
   56    53    52    51   1.10000 -1.0 2.0
   52    57    56    46   4.00000 -1.0 2.0
   58    43    57    56   4.00000 -1.0 2.0
   60    59    58    57   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   63    70    62    60   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   70    39    69    67   4.00000 -1.0 2.0
   69    43    70    62   4.00000 -1.0 2.0
   57    70    43    38   4.00000 -1.0 2.0
END
