* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    134    210     401
    1     0 S   NP   _N1_     1    29.11469    95.42650   -20.05841
    2     1 S   H    _HN1     2     1.02775    86.22556   -84.53931
    3     1 S   H    _H1_     3     1.02956    87.93238    24.05070
    4     1 S   H    _H2_     4     1.02835    35.85303   147.32179
    5     1 S   CT   _CA1     5     1.50226   146.54739   149.27698
    6     5 S   HC   _HA1     6     1.09555   105.15217    58.09905
    7     5 S   CO3  _C1_     7     1.53838   112.30750   -62.06377
    8     7 S   O2Z  _O11     8     1.26398   114.94129   -37.66102
    9     7 S   O2Z  _O12     9     1.26254   115.29824   141.61624
   10     5 S   CT   _CB1    10     1.53218   107.37446   176.33451
   11    10 S   HC   HB11    11     1.09815   109.52671   -44.62802
   12    10 S   HC   HB12    12     1.09807   110.48167    72.12943
   13    10 S   CT   _CG1    13     1.52991   112.55792  -165.48224
   14    13 S   HC   HG11    14     1.09314   110.66669   -60.93408
   15    13 S   HC   HG12    15     1.09548   109.47545    57.83935
   16    13 S   C    _CD1    16     1.51885   112.46634   177.16973
   17    16 S   O    _OE1    17     1.22780   122.90472   -14.42889
   18    16 S   N    _N2_    18     1.38666   112.06776   167.49203
   19    18 S   H    _HN2    19     1.01695   118.89919    -1.45643
   20    18 S   CT1  _CA2    20     1.46262   123.21592   176.08959
   21    20 S   HC   _HA2    21     1.09717   109.24776   -13.89397
   22    20 S   C    _C2_    22     1.53563   107.81460  -129.45611
   23    22 S   O    _O2_    23     1.23036   122.37875  -144.64890
   24    20 S   CT   _CB2    32     1.53382   112.56835   108.65284
   25    24 S   HC   HB21    33     1.09354   109.77965    60.70696
   26    24 S   HC   HB22    34     1.09578   109.95955   177.55944
   27    22 S   N    _N3_    24     1.38468   113.52547    42.28956
   28    27 S   H    _HN3    25     1.01524   119.00391    -1.52444
   29    24 S   S    _SG2    35     1.82929   112.97439   -63.66168
   30    27 S   CT   _CA3    26     1.45383   123.15443   176.40397
   31    30 S   HC   HA31    27     1.09557   108.78709    32.72245
   32    30 S   HC   HA32    28     1.09480   107.25811   149.54272
   33    29 S   CT   _C10    36     1.84817   100.01827   133.12018
   34    33 S   HC   _H3_    37     1.09585   105.38822    45.66241
   35    30 S   CO3  _C3_    29     1.52871   113.38722   -90.62473
   36    35 S   O2Z  _O31    30     1.26379   115.46436   -44.64658
   37    35 S   O2Z  _O32    31     1.26367   114.90458   136.33820
   38    33 S   CA   _C9_    38     1.51809   110.66246   -73.38861
   39    33 S   CM   _C11    72     1.50576   108.89425   161.74288
   40    39 S   HC   _H12    73     1.09051   118.11496    36.62627
   41    38 S   CA   _C4_    39     1.40423   121.95015   -70.63052
   42    41 S   HA   _H9_    40     1.08738   120.47378    -2.84881
   43    39 S   CMA  _C12    74     1.51686   122.49008  -145.47488
   44    43 S   OM   _O33    75     1.26222   119.37968   176.89625
   45    43 S   OM   _O34    76     1.26213   122.22448    -3.29426
   46    41 S   CA   _C5_    41     1.39581   120.73124   176.67716
   47    46 S   HA   _H10    42     1.08555   119.23737   179.35320
   48    46 S   CA   _C6_    43     1.39300   119.88326    -1.78608
   49    48 S   CA   _C7_    44     1.39235   120.21072     1.75111
   50    48 S   OH   _O41    70     1.36739   120.25012  -176.87701
   51    50 S   HO   _H19    71     0.97520   108.35348    14.79674
   52    38 S   CA   _C8_    45     1.40385   119.48979   106.99709
   53    52 S   HA   _H11    46     1.08752   119.54083     4.72020
   54    49 S   OS   _O35    47     1.37039   119.34095   178.67396
   55    54 S   CO   _C13    48     1.44141   112.24905   115.99281
   56    55 S   HC   _H4_    49     1.09836   110.70367    43.17040
   57    55 S   CT   _C14    50     1.53429   107.18248   162.06139
   58    57 S   HC   _H5_    51     1.09674   110.07432    53.11995
   59    57 S   CT   _C15    52     1.53070   110.98652   175.09639
   60    59 S   HC   _H6_    53     1.09670   110.28001    73.07978
   61    57 S   OH   _O40    68     1.42928   110.00330   -63.77033
   62    61 S   HO   _H18    69     0.97237   108.29715   -60.11089
   63    59 S   CT   _C16    54     1.53103   111.30445   -49.61361
   64    63 S   HC   _H7_    55     1.09707   108.98869   -71.71403
   65    59 S   OH   _O39    66     1.42947   109.61737  -171.01375
   66    65 S   HO   _H17    67     0.97243   108.14233    60.52743
   67    63 S   CT   _C17    56     1.53246   110.92276    49.60232
   68    67 S   HC   _H8_    57     1.09768   110.93813    65.12801
   69    63 S   OH   _O38    64     1.42626   109.63627   171.54492
   70    69 S   HO   _H16    65     0.97285   108.23136   -59.86128
   71    55 S   OS   _O36    58     1.43113   110.57087   -78.36272
   72    67 S   CT   _C18    59     1.52941   111.15589  -174.13205
   73    72 S   HC   _H13    60     1.09502   110.96986    69.06803
   74    72 S   HC   _H14    61     1.09397   111.53653   -53.23973
   75    72 S   OH   _O37    62     1.42358   109.16185  -172.28210
   76    75 S   HO   _H15    63     0.97251   106.87775  -178.80450
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   6   3   8   4   2   1   1   7   3   7
   9   3   1   3   1   8  13   6  12   7  13   7   4   1  12   7
   3   1   9   6   3   1   4   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    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    52    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    49    52    53    39    40    43    44    45  
   38    41    52    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    48    49    52    53    54    39    40    43  
   40    43    44    45    41    52  
   43    44    45  
   42    46    47    48    49    52    53    50  
   46    47    48    52  
   44    45  
   45  
    0  
   47    48    49    52    54    50    51  
   48    49    50  
   49    52    53    54    55    50    51  
   52    53    54    55    56    57    71    50    51  
   51    52    54  
    0  
   53    54    55  
   54  
   55    56    57    58    59    67    71    61  
   56    57    58    59    60    63    67    68    71    72    65    61    62  
   57    58    59    67    71    61  
   58    59    60    63    64    67    71    69    65    66    61    62  
   59    60    63    71    65    61    62  
   60    63    64    67    68    71    72    69    70    65    66    61    62  
   63    64    67    69    65    66    61  
   62    63    65    71  
    0  
   64    67    68    71    72    73    74    75    69    70    65    66  
   67    68    71    72    69    70    65  
   66    67    69  
    0  
   68    71    72    73    74    75    76    69    70  
   71    72    73    74    75    69  
   70    71    72  
    0  
   72    73    74    75  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    52   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    50   450.000  1.364
   49    52   469.000  1.400
   49    54   450.000  1.364
   52    53   367.000  1.080
   54    55   320.000  1.380
   55    56   340.000  1.090
   55    57   250.000  1.527
   55    71   320.000  1.380
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   320.000  1.410
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    65   320.000  1.410
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    69   320.000  1.410
   67    68   340.000  1.090
   67    71   320.000  1.410
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   320.000  1.410
   75    76   553.000  0.945
   69    70   553.000  0.945
   65    66   553.000  0.945
   61    62   553.000  0.945
   50    51   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    45   745.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    52    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    52    49    63.00000  120.00000
   38    52    53    35.00000  120.00000
   41    46    47    35.00000  120.00000
   41    46    48    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    50    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    52    63.00000  120.00000
   48    49    54    70.00000  120.00000
   48    50    51    35.00000  113.00000
   49    52    53    35.00000  120.00000
   49    54    55   100.00000  112.36700
   52    38    41    63.00000  120.00000
   54    49    52    70.00000  120.00000
   54    55    56    35.00000  109.50000
   54    55    57    90.00000  108.56700
   54    55    71    92.60000  111.55000
   55    57    58    45.00000  108.72000
   55    57    59    75.00000  109.43000
   55    57    61    90.00000  111.58700
   55    71    67    60.00000  109.50000
   57    55    56    45.00000  112.01100
   57    59    60    37.50000  110.70000
   57    59    63    58.35000  112.70000
   57    59    65    50.00000  109.50000
   57    61    62    55.00000  108.50000
   59    57    58    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    67    58.35000  112.70000
   59    63    69    50.00000  109.50000
   59    65    66    55.00000  108.50000
   63    59    60    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    50.00000  109.50000
   63    67    72    58.35000  112.70000
   63    69    70    55.00000  108.50000
   67    63    64    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    50.00000  109.50000
   71    55    56    35.00000  109.50000
   71    55    57    90.00000  108.56700
   71    67    68    35.00000  109.50000
   72    67    68    37.50000  110.70000
   72    67    71    50.00000  109.50000
   72    75    76    55.00000  108.50000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   69    63    64    35.00000  109.50000
   69    63    67    50.00000  109.50000
   65    59    60    35.00000  109.50000
   65    59    63    50.00000  109.50000
   61    57    58    35.00000  109.50000
   61    57    59    50.00000  109.50000
   50    48    49    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    45    65.00000  137.10300
   43    39    40    40.00000  120.50800
   45    43    44    65.00000  121.00000
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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    52  -0.16000  1.0 1.0
   29    33    38    52  -0.03200 -1.0 2.0
   29    33    38    52   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    52    49   3.62500 -1.0 2.0
   33    38    52    53   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    52   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    48   3.62500 -1.0 2.0
   41    38    52    49   3.62500 -1.0 2.0
   41    38    52    53   3.62500 -1.0 2.0
   41    46   -48    49   3.62500 -1.0 2.0
   41    46    48    50   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    48   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    49    54   3.62500 -1.0 2.0
   46    48    50    51   0.84100 -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    49   -52    38   3.62500 -1.0 2.0
   48    49    52    53   3.62500 -1.0 2.0
   48    49    54    55   1.63200 -1.0 2.0
   49    48    50    51   0.84100 -1.0 2.0
   49    54    55    56   0.08050  1.0 3.0
   49    54    55    57  -0.32850  1.0 1.0
   49    54    55    57  -0.35800 -1.0 2.0
   49    54    55    57   0.33950  1.0 3.0
   49    54    55    71  -0.25600  1.0 1.0
   49    54    55    71  -0.40050 -1.0 2.0
   49    54    55    71   0.34700  1.0 3.0
   52    38    41    42   3.62500 -1.0 2.0
   52    38   -41    46   3.62500 -1.0 2.0
   52    49    54    55   1.63200 -1.0 2.0
   54    49    52    38   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    55    57    58   0.23400  1.0 3.0
   54    55    57    59   0.62750  1.0 1.0
   54    55    57    59  -0.30950 -1.0 2.0
   54    55    57    59   0.27300  1.0 3.0
   54    55    57    61   3.69350  1.0 1.0
   54    55    57    61  -1.82950 -1.0 2.0
   54    55    71    67  -0.81800  1.0 1.0
   55    57    59    60   0.15000  1.0 3.0
   55    57    59    63   3.97050  1.0 1.0
   55    57    59    65   0.86500  1.0 1.0
   55    57    59    65  -0.17500 -1.0 2.0
   55    57    59    65   0.20800  1.0 3.0
   55    57    61    62  -0.11600  1.0 1.0
   55    57    61    62  -0.09450 -1.0 2.0
   55    57    61    62   0.21250  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    61   0.23400  1.0 3.0
   56    55    71    67   0.37050  1.0 3.0
   57    55    71    67   0.06250  1.0 1.0
   57    55    71    67  -0.01100 -1.0 2.0
   57    55    71    67   0.28050  1.0 3.0
   57    59    63    64   0.15000  1.0 3.0
   57    59   -63    67   0.56750  1.0 1.0
   57    59   -63    67  -0.07550 -1.0 2.0
   57    59   -63    67   0.20000  1.0 3.0
   57    59    63    69   0.86500  1.0 1.0
   57    59    63    69  -0.17500 -1.0 2.0
   57    59    63    69   0.20800  1.0 3.0
   57    59    65    66  -0.11600  1.0 1.0
   57    59    65    66  -0.09450 -1.0 2.0
   57    59    65    66   0.21250  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    63   0.15000  1.0 3.0
   58    57    59    65   0.23400  1.0 3.0
   58    57    61    62   0.19450  1.0 3.0
   59    57    61    62  -0.11600  1.0 1.0
   59    57    61    62  -0.09450 -1.0 2.0
   59    57    61    62   0.21250  1.0 3.0
   59    63    67    68   0.15000  1.0 3.0
   59    63    67    71   0.62750  1.0 1.0
   59    63    67    71  -0.30950 -1.0 2.0
   59    63    67    71   0.27300  1.0 3.0
   59    63    67    72   0.56750  1.0 1.0
   59    63    67    72  -0.07550 -1.0 2.0
   59    63    67    72   0.20000  1.0 3.0
   59    63    69    70  -0.11600  1.0 1.0
   59    63    69    70  -0.09450 -1.0 2.0
   59    63    69    70   0.21250  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    67   0.15000  1.0 3.0
   60    59    63    69   0.23400  1.0 3.0
   60    59    65    66   0.19450  1.0 3.0
   63    59    65    66  -0.11600  1.0 1.0
   63    59    65    66  -0.09450 -1.0 2.0
   63    59    65    66   0.21250  1.0 3.0
   63    67   -71    55   0.06250  1.0 1.0
   63    67   -71    55  -0.01100 -1.0 2.0
   63    67   -71    55   0.28050  1.0 3.0
   63    67    72    73   0.15000  1.0 3.0
   63    67    72    74   0.15000  1.0 3.0
   63    67    72    75   0.86500  1.0 1.0
   63    67    72    75  -0.17500 -1.0 2.0
   63    67    72    75   0.20800  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    71   0.23400  1.0 3.0
   64    63    67    72   0.15000  1.0 3.0
   64    63    69    70   0.19450  1.0 3.0
   67    63    69    70  -0.11600  1.0 1.0
   67    63    69    70  -0.09450 -1.0 2.0
   67    63    69    70   0.21250  1.0 3.0
   67    72    75    76  -0.11600  1.0 1.0
   67    72    75    76  -0.09450 -1.0 2.0
   67    72    75    76   0.21250  1.0 3.0
   68    67    71    55   0.37050  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.23400  1.0 3.0
   71    55    57    58   0.23400  1.0 3.0
   71    55   -57    59   0.62750  1.0 1.0
   71    55   -57    59  -0.30950 -1.0 2.0
   71    55   -57    59   0.27300  1.0 3.0
   71    55    57    61   3.69350  1.0 1.0
   71    55    57    61  -1.82950 -1.0 2.0
   71    67    72    73   0.23400  1.0 3.0
   71    67    72    74   0.23400  1.0 3.0
   71    67    72    75   3.69350  1.0 1.0
   71    67    72    75  -1.82950 -1.0 2.0
   72    67    71    55   0.06250  1.0 1.0
   72    67    71    55  -0.01100 -1.0 2.0
   72    67    71    55   0.28050  1.0 3.0
   73    72    75    76   0.19450  1.0 3.0
   74    72    75    76   0.19450  1.0 3.0
   69    63    67    68   0.23400  1.0 3.0
   69    63    67    71   3.69350  1.0 1.0
   69    63    67    71  -1.82950 -1.0 2.0
   69    63    67    72   0.86500  1.0 1.0
   69    63    67    72  -0.17500 -1.0 2.0
   69    63    67    72   0.20800  1.0 3.0
   65    59    63    64   0.23400  1.0 3.0
   65    59    63    67   0.86500  1.0 1.0
   65    59    63    67  -0.17500 -1.0 2.0
   65    59    63    67   0.20800  1.0 3.0
   65    59    63    69   3.75450  1.0 1.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    63   0.86500  1.0 1.0
   61    57    59    63  -0.17500 -1.0 2.0
   61    57    59    63   0.20800  1.0 3.0
   61    57    59    65   3.75450  1.0 1.0
   50    48    49    52   3.62500 -1.0 2.0
   50    48    49    54   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    52   0.18050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    52    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   48    47    46    41   1.10000 -1.0 2.0
   49    50    48    46   4.00000 -1.0 2.0
   52    54    49    48   4.00000 -1.0 2.0
   49    53    52    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
