* LIGAND DATABASE FILE (OPLS2005)
*
001      69    73    128    218     380
    1     0 S   NP   _N1_     1    28.86408    96.79057   -22.58506
    2     1 S   H    _HN1     2     1.02781   100.04263   -79.41297
    3     1 S   H    _H1_     3     1.02950    69.49337    26.61219
    4     1 S   H    _H2_     4     1.02827    43.30339   175.07073
    5     1 S   CT   _CA1     5     1.50132   145.00741   123.15607
    6     5 S   HC   _HA1     6     1.09577   105.13370    94.39978
    7     5 S   CO3  _C1_     7     1.53725   112.61689   -25.65295
    8     7 S   O2Z  _O11     8     1.26359   115.00031   -38.13922
    9     7 S   O2Z  _O12     9     1.26255   114.95654   140.96899
   10     5 S   CT   _CB1    10     1.53081   107.41457  -147.66010
   11    10 S   HC   HB11    11     1.09829   109.17219   -49.86463
   12    10 S   HC   HB12    12     1.09812   110.48866    66.69946
   13    10 S   CT   _CG1    13     1.52995   112.71226  -170.91823
   14    13 S   HC   HG11    14     1.09579   110.58675   -69.18444
   15    13 S   HC   HG12    15     1.09678   109.78802    50.03342
   16    13 S   C    _CD1    16     1.51829   112.27249   170.33895
   17    16 S   O    _OE1    17     1.22719   123.30761     7.97846
   18    16 S   N    _N2_    18     1.38621   111.61866  -172.02415
   19    18 S   H    _HN2    19     1.01587   118.86763     0.74991
   20    18 S   CT1  _CA2    20     1.46265   123.47772   176.52757
   21    20 S   HC   _HA2    21     1.09734   109.47114    -3.27650
   22    20 S   C    _C2_    22     1.53472   108.21779  -118.62722
   23    22 S   O    _O2_    23     1.23026   122.38693  -147.16921
   24    20 S   CT   _CB2    32     1.53191   111.34424   119.03643
   25    24 S   HC   HB21    33     1.09518   109.90659    54.63262
   26    24 S   HC   HB22    34     1.09508   110.80809   173.10124
   27    22 S   N    _N3_    24     1.38360   113.48726    40.24704
   28    27 S   H    _HN3    25     1.01615   119.50760    -3.44861
   29    24 S   S    _SG2    35     1.82797   111.22667   -68.00370
   30    27 S   CT   _CA3    26     1.45285   123.25374   177.10295
   31    30 S   HC   HA31    27     1.09549   107.51356   -64.40069
   32    30 S   HC   HA32    28     1.09555   107.98652    52.04651
   33    29 S   CT   _C22    36     1.84605    99.76346   145.62585
   34    33 S   HC   _H3_    37     1.09732   108.04671    40.71187
   35    30 S   CO3  _C3_    29     1.52968   114.04011   174.01372
   36    35 S   O2Z  _O31    30     1.26382   116.03725    -1.42560
   37    35 S   O2Z  _O32    31     1.26423   114.42740   178.64520
   38    33 S   CA   _C18    38     1.51840   109.05974   158.04557
   39    33 S   CT   _C23    66     1.53953   110.35740   -78.95033
   40    39 S   HC   _H4_    67     1.09641   110.75401    43.17962
   41    38 S   CA   _C19    39     1.40473   119.29039   -83.64370
   42    41 S   HA   _H12    40     1.08727   120.41241    -4.02876
   43    39 S   OH   _O33    68     1.43258   109.21925   159.69159
   44    43 S   HO   _H15    69     0.97223   107.62455   -62.05287
   45    41 S   CA   _C20    41     1.38930   120.38698   174.79783
   46    45 S   HA   _H13    42     1.08604   120.13481  -179.77794
   47    45 S   CA   _C21    43     1.39155   119.75934    -1.20106
   48    47 S   HA   _H14    44     1.08817   118.69003  -178.42455
   49    47 S   CA   _C16    45     1.40390   120.73633     1.07301
   50    49 S   CA   _C15    46     1.39299   120.51014  -178.07583
   51    50 S   HA   _H11    47     1.08815   120.75552    -0.11364
   52    50 S   CA   _C14    48     1.39544   120.60108   178.88127
   53    52 S   HA   _H10    49     1.08677   116.43407  -179.06184
   54    52 S   CA   _C13    50     1.41209   122.30405     1.98396
   55    54 S   CA   _C7_    51     1.44032   123.21028   179.13475
   56    54 S   CR3  _C12    64     1.42208   116.88270    -0.20936
   57    55 S   CA   _C6_    52     1.41924   124.41287     2.59050
   58    57 S   HA   _H7_    53     1.08668   121.13298     0.38001
   59    38 S   CR3  _C17    65     1.41618   120.01530    92.13936
   60    57 S   CA   _C5_    54     1.39783   122.31909   180.00000
   61    60 S   HA   _H6_    55     1.08612   119.97328  -179.69290
   62    60 S   CA   _C4_    56     1.38533   119.91039     0.18871
   63    62 S   HA   _H5_    57     1.08578   120.40828  -179.73756
   64    62 S   CA   _C9_    58     1.39093   119.48297     0.01978
   65    64 S   HA   _H8_    59     1.08859   118.34795   179.96574
   66    55 S   CA   _C8_    60     1.41591   119.13645  -177.31671
   67    66 S   CA   _C10    61     1.39504   119.88538     0.46013
   68    67 S   HA   _H9_    62     1.08950   119.76388   177.93218
   69    67 S   CA   _C11    63     1.39890   121.25613    -1.32913
  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   8   4   4   1   6   3   7   3
   8   7   4   8   3  10  13   6   8   4   2   6   3   5   3   5
   2   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    59    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    49    67    69    56    59    39    40    43    44  
   38    41    69    59    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    47    49    50    54    69    56    59    39    40    43  
   40    43    44    41    54    56    59    66    67    68    69  
   43    44    56    67    69  
   42    45    46    47    48    49    56    59  
   45    46    47    59  
   44    56    67    69  
   69  
   46    47    48    49    50    59  
   47    48    49  
   48    49    50    51    52    56    59  
   49    50    59  
   50    51    52    53    54    69    56    59  
   51    52    53    54    55    56    59  
   52    53    54    59  
   53    54    55    57    66    69    56    59  
   54    55    56  
   55    57    58    60    64    66    67    69    56    59  
   57    58    60    61    62    64    65    66    67    68    69    56    59  
   59    57    66    67    68    69  
   58    60    61    62    63    64    66    67  
   60    61    62    66  
   67    69  
   61    62    63    64    65    66  
   62    63    64  
   63    64    65    66    67  
   64    65    66  
   65    66    67    68    69  
   66    67  
   67    68    69  
   68    69  
   69  
    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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.000000   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   3.5500   0.0700  -0.115000   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    59   490.000  1.398
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    59   490.000  1.398
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   469.000  1.400
   54    56   490.000  1.398
   55    57   469.000  1.400
   55    66   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    56   490.000  1.398
   69    39   317.000  1.510
   56    59   490.000  1.398
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   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    59    80.00000  105.07000
   33    39    69    70.00000  112.17500
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    59    49    60.00000  130.80000
   38    59    56    60.00000  130.80000
   41    45    46    35.00000  120.00000
   41    45    47    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    63.00000  120.00000
   47    49    59    70.00000  112.88000
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  120.00000
   49    50    52    63.00000  120.00000
   49    59    56    60.00000  130.80000
   50    52    53    35.00000  120.00000
   50    52    54    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    54    55    63.00000  120.00000
   52    54    56    70.00000  112.88000
   54    52    53    35.00000  120.00000
   54    55    57    63.00000  120.00000
   54    55    66    63.00000  120.00000
   54    56    69    60.00000  130.80000
   54    56    59    60.00000  130.80000
   55    57    58    35.00000  120.00000
   55    57    60    63.00000  120.00000
   55    66    64    63.00000  120.00000
   55    66    67    63.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    62    63.00000  120.00000
   60    57    58    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    63.00000  120.00000
   66    55    57    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   67    69    56    70.00000  112.88000
   67    69    39    70.00000  120.00000
   69    67    68    35.00000  120.00000
   69    56    59    60.00000  130.80000
   69    39    40    35.00000  109.50000
   69    39    43    90.00000  112.51600
   56    54    55    70.00000  112.88000
   59    38    41    70.00000  112.88000
   59    49    50    70.00000  112.88000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    69    56    80.00000  105.07000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
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    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   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    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    59    49   3.62500 -1.0 2.0
   33    38    59    56   3.62500 -1.0 2.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    59   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    43   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    43   1.13150  1.0 1.0
   38    33    39    43  -1.01400 -1.0 2.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    47   3.62500 -1.0 2.0
   41    38    59    49   3.62500 -1.0 2.0
   41    38    59    56   3.62500 -1.0 2.0
   41    45    47    48   3.62500 -1.0 2.0
   41    45   -47    49   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    47   3.62500 -1.0 2.0
   45    47    49    50   3.62500 -1.0 2.0
   45    47    49    59   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49    50    51   3.62500 -1.0 2.0
   47    49    50    52   3.62500 -1.0 2.0
   47    49   -59    38   3.62500 -1.0 2.0
   47    49    59    56   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    59   3.62500 -1.0 2.0
   49    50    52    53   3.62500 -1.0 2.0
   49    50    52    54   3.62500 -1.0 2.0
   50    49    59    38   3.62500 -1.0 2.0
   50    49    59    56   3.62500 -1.0 2.0
   50    52    54    55   3.62500 -1.0 2.0
   50    52   -54    56   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    54   3.62500 -1.0 2.0
   52    54    55    57   3.62500 -1.0 2.0
   52    54    55    66   3.62500 -1.0 2.0
   52    54    56    69   3.62500 -1.0 2.0
   52    54    56    59   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   54    55    57    58   3.62500 -1.0 2.0
   54    55    57    60   3.62500 -1.0 2.0
   54    55    66    64   3.62500 -1.0 2.0
   54    55    66    67   3.62500 -1.0 2.0
   54    56    59    38   3.62500 -1.0 2.0
   54    56   -59    49   3.62500 -1.0 2.0
   55    54    56    69   3.62500 -1.0 2.0
   55    54    56    59   3.62500 -1.0 2.0
   55    57    60    61   3.62500 -1.0 2.0
   55    57    60    62   3.62500 -1.0 2.0
   55    66    67    68   3.62500 -1.0 2.0
   55    66   -67    69   3.62500 -1.0 2.0
   57    55    66    64   3.62500 -1.0 2.0
   57    55    66    67   3.62500 -1.0 2.0
   57    60    62    63   3.62500 -1.0 2.0
   57    60   -62    64   3.62500 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   58    57    60    62   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   60    62    64    66   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64   -66    55   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    67    69   3.62500 -1.0 2.0
   65    64    66    55   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   66    55    57    58   3.62500 -1.0 2.0
   66    55   -57    60   3.62500 -1.0 2.0
   66    67    69    56   3.62500 -1.0 2.0
   66    67    69    39   3.62500 -1.0 2.0
   67    69   -56    54   3.62500 -1.0 2.0
   67    69    56    59   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    43   0.14300 -1.0 2.0
   67    69    39    43   0.00300  1.0 3.0
   68    67    69    56   3.62500 -1.0 2.0
   68    67    69    39   3.62500 -1.0 2.0
   69    56   -59    38   3.62500 -1.0 2.0
   69    56    59    49   3.62500 -1.0 2.0
   69    39    43    44   0.31900  1.0 1.0
   69    39    43    44  -0.11800 -1.0 2.0
   69    39    43    44   0.38750  1.0 3.0
   56    54    55    57   3.62500 -1.0 2.0
   56    54   -55    66   3.62500 -1.0 2.0
   56    69   -39    33   0.04150 -1.0 2.0
   56    69    39    40   0.00000  1.0 1.0
   56    69    39    43   0.14300 -1.0 2.0
   56    69    39    43   0.00300  1.0 3.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    45   3.62500 -1.0 2.0
   59    49    50    51   3.62500 -1.0 2.0
   59    49   -50    52   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    59   0.04150 -1.0 2.0
   39    69    56    54   3.62500 -1.0 2.0
   39    69   -56    59   3.62500 -1.0 2.0
   40    39    43    44   0.19450  1.0 3.0
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    59    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    46    45    41   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   50    59    49    47   4.00000 -1.0 2.0
   52    51    50    49   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   55    56    54    52   4.00000 -1.0 2.0
   57    66    55    54   4.00000 -1.0 2.0
   60    58    57    55   1.10000 -1.0 2.0
   62    61    60    57   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   64    67    66    55   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   56    39    69    67   4.00000 -1.0 2.0
   69    59    56    54   4.00000 -1.0 2.0
   49    56    59    38   4.00000 -1.0 2.0
END
