* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    142    237     428
    1     0 S   NP   _N1_     1    28.69019    94.28566   -24.23699
    2     1 S   H    _HN1     2     1.02950    83.10769    19.71719
    3     1 S   H    _H1_     3     1.02829    25.14941  -177.81126
    4     1 S   H    _H2_     4     1.02785   109.62739   -87.36602
    5     1 S   CT   _CA1     5     1.50111   128.23055   130.31630
    6     5 S   HC   _HA1     6     1.09573   105.20121    80.18026
    7     5 S   CO3  _C1_     7     1.53791   112.45367   -40.06224
    8     7 S   O2Z  _O11     8     1.26372   115.00723   -42.73537
    9     7 S   O2Z  _O12     9     1.26241   114.94752   136.40557
   10     5 S   CT   _CB1    10     1.53081   107.42214  -161.83560
   11    10 S   HC   HB11    11     1.09833   109.38086   -49.76667
   12    10 S   HC   HB12    12     1.09813   110.44317    66.84295
   13    10 S   CT   _CG1    13     1.52988   112.60103  -170.74959
   14    13 S   HC   HG11    14     1.09583   110.61823   -65.35939
   15    13 S   HC   HG12    15     1.09670   109.79969    53.87005
   16    13 S   C    _CD1    16     1.51799   112.24475   174.32391
   17    16 S   O    _OE1    17     1.22729   123.29981     6.23618
   18    16 S   N    _N2_    18     1.38655   111.66002  -173.86716
   19    18 S   H    _HN2    19     1.01582   118.92715     1.77487
   20    18 S   CT1  _CA2    20     1.46192   123.38603   177.62554
   21    20 S   HC   _HA2    21     1.09738   109.39428     2.19187
   22    20 S   C    _C2_    22     1.53555   108.59257  -113.29816
   23    22 S   O    _O2_    23     1.23062   122.25991  -147.80635
   24    20 S   CT   _CB2    32     1.53476   111.58147   124.26752
   25    24 S   HC   HB21    33     1.09394   109.58032    56.45150
   26    24 S   HC   HB22    34     1.09418   109.61652   175.33478
   27    22 S   N    _N3_    24     1.38319   113.70808    39.62656
   28    27 S   H    _HN3    25     1.01589   119.59231    -3.32814
   29    24 S   S    _SG2    35     1.82963   111.18985   -65.12118
   30    27 S   CT   _CA3    26     1.45288   123.20452   177.12186
   31    30 S   HC   HA31    27     1.09549   107.50988   -64.55179
   32    30 S   HC   HA32    28     1.09557   107.98396    51.88379
   33    29 S   CT   _C5_    36     1.86272   102.11150   173.50052
   34    30 S   CO3  _C3_    29     1.52958   114.08552   173.87984
   35    34 S   O2Z  _O31    30     1.26375   116.06787    -0.72605
   36    34 S   O2Z  _O32    31     1.26428   114.41181   179.33589
   37    33 S   CT   _C6_    37     1.54142   105.42864   174.48203
   38    37 S   HC   _H7_    38     1.09706   111.65773    71.48393
   39    37 S   HC   _H8_    39     1.09780   112.14180   -48.98538
   40    33 S   CT   _C22    64     1.55323   110.09604    54.97994
   41    40 S   HC   _H15    65     1.09904   109.22026    43.00750
   42    40 S   HC   _H16    66     1.09764   109.27838   -73.81322
   43    33 S   CT   _C4_    73     1.53921   107.97081   -68.33956
   44    43 S   HC   _H4_    74     1.09461   112.05923    73.28747
   45    43 S   HC   _H5_    75     1.09677   111.68633   -48.04874
   46    43 S   HC   _H6_    76     1.09436   111.88677  -166.78963
   47    37 S   CO4  _C7_    40     1.51631   110.35926  -167.48961
   48    47 S   O    _O33    41     1.22838   120.98597  -119.74258
   49    47 S   CT   _C8_    42     1.52573   114.42253    59.70585
   50    49 S   HC   _H3_    43     1.10021   106.44260    52.64588
   51    49 S   CA   _C9_    44     1.51862   116.74459   169.66001
   52    51 S   CA   _C10    45     1.40477   120.02633   -40.17490
   53    52 S   HA   _H9_    46     1.08988   119.06840     0.30647
   54    51 S   CA   _C18    57     1.40398   121.75570   144.91583
   55    52 S   CA   _C11    47     1.40390   122.55396  -179.67555
   56    54 S   CO4  _C19    58     1.49536   119.18939     2.15095
   57    56 S   O    _O34    59     1.22874   120.82049  -178.44317
   58    55 S   CA   _C12    48     1.40590   119.46855  -178.35515
   59    58 S   HA   _H10    49     1.08880   120.44433    -0.15949
   60    56 S   CT   _C20    60     1.51153   118.82686     4.74165
   61    60 S   HC   _H13    61     1.09593   108.13761    88.19917
   62    60 S   HC   _H14    62     1.09722   107.13543  -155.18231
   63    58 S   CA   _C13    50     1.39194   121.23468   179.55943
   64    63 S   HA   _H11    51     1.08603   120.09148  -179.84174
   65    49 S   CT   _C21    63     1.53823   105.82654   -63.57259
   66    63 S   CA   _C14    52     1.38665   119.68740     0.03956
   67    66 S   HA   _H12    53     1.08627   119.30261  -179.90513
   68    65 S   OH   _O35    67     1.43202   109.76953   -62.06058
   69    68 S   HO   _H17    68     0.97293   108.32602  -179.75934
   70    66 S   CA   _C15    54     1.39840   119.67899     0.18767
   71    55 S   CA   _C16    55     1.41327   120.13218     1.58264
   72    70 S   OH   _O37    71     1.37298   117.89184   179.90721
   73    72 S   HO   _H19    72     0.97169   109.25044     0.08847
   74    71 S   CA   _C17    56     1.42550   117.19147     1.21644
   75    74 S   OH   _O36    69     1.37557   117.06156   178.29154
   76    75 S   HO   _H18    70     0.97250   109.75787   179.30620
  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  13   5   4   3
  16   2   1   1  15   6   5  17   6   5   5   2   1   1   9   4
  14   6  13  11   4  12  10   9   5   8   4   6   3   2   6   3
   2   6   3   1   1   5   5   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    65    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    60    65    40    41    42    68    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    65    40    41    42    43    44    45    46  
   39    47    48    49    40    43  
   47    48    49    40    43  
   41    42    68    69    43    44    45    46    47    49    50    51    56    60    61    62    65  
   42    68    43    49    60    65  
   68    43    49    60    65  
   44    45    46    47    65  
   45    46  
   46  
    0  
   48    49    50    51    52    54    60    65    68  
   49    50    51    65  
   50    51    52    53    55    74    54    56    60    61    62    65    68    69  
   51    52    54    60    65    68  
   52    53    55    58    71    74    54    56    57    60    65    68    75  
   53    55    58    59    63    70    71    74    54    56    65  
   55    58    71    54  
   56    57    60    61    62    65    75    76    55    70    71    74  
   58    59    63    64    66    70    71    74    75    72  
   57    60    61    62    65    68    75    71    74  
   60    61    62    65    74  
   59    63    64    66    67    70    71    74  
   63    64    66    71  
   61    62    65    68    69    74  
   62    65    68  
   65    68  
   64    66    67    70    71    72  
   66    67    70  
   68    69  
   67    70    71    74    72    73  
   70    71    72  
   69  
    0  
   71    74    75    72    73  
   74    75    76    72    73  
   73    74  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   317.000  1.522
   47    48   570.000  1.229
   47    49   317.000  1.522
   49    50   340.000  1.090
   49    51   317.000  1.510
   49    65   268.000  1.529
   51    52   469.000  1.400
   51    54   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    58   469.000  1.400
   55    71   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   469.000  1.400
   70    72   450.000  1.364
   71    74   469.000  1.400
   74    54   469.000  1.400
   74    75   450.000  1.364
   54    56   310.000  1.470
   56    57   570.000  1.229
   56    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    40   268.000  1.529
   65    68   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   68    69   553.000  0.945
   75    76   553.000  0.945
   72    73   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    63.00000  111.10000
   33    40    65    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    80.00000  120.40000
   37    47    49    70.00000  116.00000
   39    37    38    33.00000  107.80000
   47    37    38    35.00000  109.50000
   47    37    39    35.00000  109.50000
   47    49    50    35.00000  109.50000
   47    49    51    70.00000  110.93000
   47    49    65    63.00000  111.10000
   49    47    48    80.00000  120.40000
   49    51    52    70.00000  120.00000
   49    51    54    70.00000  120.00000
   49    65    60    58.35000  112.70000
   49    65    40    58.35000  112.70000
   49    65    68    50.00000  109.50000
   51    49    50    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    55    63.00000  120.00000
   51    54    74    63.00000  120.00000
   51    54    56    60.00000  119.52600
   52    55    58    63.00000  120.00000
   52    55    71    63.00000  120.00000
   55    52    53    35.00000  120.00000
   55    58    59    35.00000  120.00000
   55    58    63    63.00000  120.00000
   55    71    70    63.00000  120.00000
   55    71    74    63.00000  120.00000
   58    63    64    35.00000  120.00000
   58    63    66    63.00000  120.00000
   63    58    59    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    70    63.00000  120.00000
   66    63    64    35.00000  120.00000
   66    70    71    63.00000  120.00000
   66    70    72    70.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    74    63.00000  120.00000
   70    72    73    35.00000  113.00000
   71    55    58    63.00000  120.00000
   71    74    54    63.00000  120.00000
   71    74    75    70.00000  120.00000
   74    54    56    60.00000  119.52600
   74    75    76    35.00000  113.00000
   54    51    52    63.00000  120.00000
   54    56    57    75.00000  123.78400
   54    56    60    65.00000  115.47100
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    65    63.00000  111.10000
   60    56    57    80.00000  120.40000
   60    65    40    58.35000  112.70000
   60    65    68    50.00000  109.50000
   62    60    61    33.00000  107.80000
   65    49    50    37.50000  110.70000
   65    49    51    70.00000  112.17500
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    40    41    37.50000  110.70000
   65    40    42    37.50000  110.70000
   65    68    69    55.00000  108.50000
   40    33    37    58.35000  112.70000
   42    40    41    33.00000  107.80000
   68    65    40    50.00000  109.50000
   75    74    54    70.00000  120.00000
   72    70    71    70.00000  120.00000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.30150 -1.0 2.0
   33    37    47    49   0.60050  1.0 1.0
   33    37    47    49   0.05600 -1.0 2.0
   33    37    47    49   0.26150  1.0 3.0
   37    33    40    65   0.56750  1.0 1.0
   37    33    40    65  -0.07550 -1.0 2.0
   37    33    40    65   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.00000  1.0 1.0
   37    47    49    51   0.65300  1.0 1.0
   37    47    49    51  -0.03850 -1.0 2.0
   37    47    49    51   0.33900  1.0 3.0
   37    47   -49    65   0.60050  1.0 1.0
   37    47   -49    65   0.05600 -1.0 2.0
   37    47   -49    65   0.26150  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    49   0.00000  1.0 1.0
   39    37    47    48   0.00000  1.0 1.0
   39    37    47    49   0.00000  1.0 1.0
   47    49    51    52   0.04300 -1.0 2.0
   47    49    51    54   0.04300 -1.0 2.0
   47    49    65    60  -0.95700  1.0 1.0
   47    49    65    60  -0.18200 -1.0 2.0
   47    49    65    60   0.29450  1.0 3.0
   47    49    65    40  -0.95700  1.0 1.0
   47    49    65    40  -0.18200 -1.0 2.0
   47    49    65    40   0.29450  1.0 3.0
   47    49    65    68  -0.09450  1.0 1.0
   47    49    65    68  -1.12950 -1.0 2.0
   47    49    65    68   0.54000  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.30150 -1.0 2.0
   48    47    49    65   0.30150 -1.0 2.0
   49    51    52    53   3.62500 -1.0 2.0
   49    51    52    55   3.62500 -1.0 2.0
   49    51    54    74   3.62500 -1.0 2.0
   49    51    54    56   3.62500 -1.0 2.0
   49    65   -40    33   0.56750  1.0 1.0
   49    65   -40    33  -0.07550 -1.0 2.0
   49    65   -40    33   0.20000  1.0 3.0
   49    65    40    41   0.15000  1.0 3.0
   49    65    40    42   0.15000  1.0 3.0
   49    65    68    69  -0.11600  1.0 1.0
   49    65    68    69  -0.09450 -1.0 2.0
   49    65    68    69   0.21250  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    54   0.00000  1.0 1.0
   50    49    65    60   0.15000  1.0 3.0
   50    49    65    40   0.15000  1.0 3.0
   50    49    65    68   0.23400  1.0 3.0
   51    49    65    60  -0.03700  1.0 1.0
   51    49    65    60   0.37200 -1.0 2.0
   51    49    65    60  -0.47300  1.0 3.0
   51    49    65    40  -0.03700  1.0 1.0
   51    49    65    40   0.37200 -1.0 2.0
   51    49    65    40  -0.47300  1.0 3.0
   51    49    65    68   1.13150  1.0 1.0
   51    49    65    68  -1.01400 -1.0 2.0
   51    52    55    58   3.62500 -1.0 2.0
   51    52    55    71   3.62500 -1.0 2.0
   51    54    56    57   1.05000 -1.0 2.0
   51    54   -56    60   2.26350  1.0 1.0
   51    54   -56    60   0.76750 -1.0 2.0
   51    54   -56    60   0.22500  1.0 3.0
   52    51    54    74   3.62500 -1.0 2.0
   52    51    54    56   3.62500 -1.0 2.0
   52    55    58    59   3.62500 -1.0 2.0
   52    55    58    63   3.62500 -1.0 2.0
   52    55    71    70   3.62500 -1.0 2.0
   52    55   -71    74   3.62500 -1.0 2.0
   53    52    55    58   3.62500 -1.0 2.0
   53    52    55    71   3.62500 -1.0 2.0
   55    58    63    64   3.62500 -1.0 2.0
   55    58    63    66   3.62500 -1.0 2.0
   55    71    74    54   3.62500 -1.0 2.0
   55    71    74    75   3.62500 -1.0 2.0
   58    55    71    70   3.62500 -1.0 2.0
   58    55    71    74   3.62500 -1.0 2.0
   58    63    66    67   3.62500 -1.0 2.0
   58    63   -66    70   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   59    58    63    66   3.62500 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   63    66    70    72   3.62500 -1.0 2.0
   64    63    66    67   3.62500 -1.0 2.0
   64    63    66    70   3.62500 -1.0 2.0
   66    70   -71    55   3.62500 -1.0 2.0
   66    70    71    74   3.62500 -1.0 2.0
   66    70    72    73   0.84100 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    72   3.62500 -1.0 2.0
   70    71    74    54   3.62500 -1.0 2.0
   70    71    74    75   3.62500 -1.0 2.0
   71    55    58    59   3.62500 -1.0 2.0
   71    55   -58    63   3.62500 -1.0 2.0
   71    70    72    73   0.84100 -1.0 2.0
   71    74   -54    51   3.62500 -1.0 2.0
   71    74    54    56   3.62500 -1.0 2.0
   71    74    75    76   0.84100 -1.0 2.0
   74    54    56    57   1.05000 -1.0 2.0
   74    54    56    60   2.26350  1.0 1.0
   74    54    56    60   0.76750 -1.0 2.0
   74    54    56    60   0.22500  1.0 3.0
   54    51    52    53   3.62500 -1.0 2.0
   54    51   -52    55   3.62500 -1.0 2.0
   54    74    75    76   0.84100 -1.0 2.0
   54    56    60    61   0.00000  1.0 1.0
   54    56    60    62   0.00000  1.0 1.0
   54    56    60    65   0.05850 -1.0 2.0
   54    56    60    65   0.17250  1.0 3.0
   56    60   -65    49  -0.95700  1.0 1.0
   56    60   -65    49  -0.18200 -1.0 2.0
   56    60   -65    49   0.29450  1.0 3.0
   56    60    65    40  -0.95700  1.0 1.0
   56    60    65    40  -0.18200 -1.0 2.0
   56    60    65    40   0.29450  1.0 3.0
   56    60    65    68  -0.09450  1.0 1.0
   56    60    65    68  -1.12950 -1.0 2.0
   56    60    65    68   0.54000  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   57    56    60    65   0.30150 -1.0 2.0
   60    65    40    33   0.56750  1.0 1.0
   60    65    40    33  -0.07550 -1.0 2.0
   60    65    40    33   0.20000  1.0 3.0
   60    65    40    41   0.15000  1.0 3.0
   60    65    40    42   0.15000  1.0 3.0
   60    65    68    69  -0.11600  1.0 1.0
   60    65    68    69  -0.09450 -1.0 2.0
   60    65    68    69   0.21250  1.0 3.0
   61    60    65    49   0.15000  1.0 3.0
   61    60    65    40   0.15000  1.0 3.0
   61    60    65    68   0.23400  1.0 3.0
   62    60    65    49   0.15000  1.0 3.0
   62    60    65    40   0.15000  1.0 3.0
   62    60    65    68   0.23400  1.0 3.0
   65    49    51    52   0.04150 -1.0 2.0
   65    49   -51    54   0.04150 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    47  -0.95700  1.0 1.0
   40    33   -37    47  -0.18200 -1.0 2.0
   40    33   -37    47   0.29450  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   40    65    68    69  -0.11600  1.0 1.0
   40    65    68    69  -0.09450 -1.0 2.0
   40    65    68    69   0.21250  1.0 3.0
   68    65    40    33   0.86500  1.0 1.0
   68    65    40    33  -0.17500 -1.0 2.0
   68    65    40    33   0.20800  1.0 3.0
   68    65    40    41   0.23400  1.0 3.0
   68    65    40    42   0.23400  1.0 3.0
   75    74    54    51   3.62500 -1.0 2.0
   75    74    54    56   3.62500 -1.0 2.0
   72    70    71    55   3.62500 -1.0 2.0
   72    70    71    74   3.62500 -1.0 2.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47  -0.95700  1.0 1.0
   43    33    37    47  -0.18200 -1.0 2.0
   43    33    37    47   0.29450  1.0 3.0
   43    33    40    65   0.56750  1.0 1.0
   43    33    40    65  -0.07550 -1.0 2.0
   43    33    40    65   0.20000  1.0 3.0
   43    33    40    41   0.15000  1.0 3.0
   43    33    40    42   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   37    49    47    48  10.50000 -1.0 2.0
   52    54    51    49   4.00000 -1.0 2.0
   55    53    52    51   1.10000 -1.0 2.0
   58    71    55    52   4.00000 -1.0 2.0
   63    59    58    55   1.10000 -1.0 2.0
   66    64    63    58   1.10000 -1.0 2.0
   70    67    66    63   1.10000 -1.0 2.0
   71    72    70    66   4.00000 -1.0 2.0
   70    74    71    55   4.00000 -1.0 2.0
   54    75    74    71   4.00000 -1.0 2.0
   74    56    54    51   4.00000 -1.0 2.0
   54    60    56    57  10.50000 -1.0 2.0
END
