* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    138    221     417
    1     0 S   NP   _N1_     1    28.75610    97.65797   -23.39744
    2     1 S   H    _HN1     2     1.02786   104.71686   -88.97054
    3     1 S   H    _H1_     3     1.02950    63.93674    14.56928
    4     1 S   H    _H2_     4     1.02828    46.68445   170.14406
    5     1 S   CT   _CA1     5     1.50107   142.03509   104.80706
    6     5 S   HC   _HA1     6     1.09573   105.20268   104.23822
    7     5 S   CO3  _C1_     7     1.53790   112.46438   -16.01364
    8     7 S   O2Z  _O11     8     1.26372   115.00988   -42.64798
    9     7 S   O2Z  _O12     9     1.26240   114.94640   136.51427
   10     5 S   CT   _CB1    10     1.53081   107.42454  -137.76855
   11    10 S   HC   HB11    11     1.09833   109.38684   -49.72150
   12    10 S   HC   HB12    12     1.09813   110.44078    66.88998
   13    10 S   CT   _CG1    13     1.52988   112.59735  -170.69897
   14    13 S   HC   HG11    14     1.09582   110.62635   -65.34904
   15    13 S   HC   HG12    15     1.09669   109.79242    53.88079
   16    13 S   C    _CD1    16     1.51797   112.23874   174.34740
   17    16 S   O    _OE1    17     1.22729   123.28956     6.57128
   18    16 S   N    _N2_    18     1.38652   111.66176  -173.53480
   19    18 S   H    _HN2    19     1.01579   118.93346     1.81628
   20    18 S   CT1  _CA2    20     1.46196   123.39819   177.61312
   21    20 S   HC   _HA2    21     1.09735   109.37581     2.64856
   22    20 S   C    _C2_    22     1.53551   108.57865  -112.85645
   23    22 S   O    _O2_    23     1.23056   122.29803  -147.60317
   24    20 S   CT   _CB2    32     1.53323   111.58859   124.67961
   25    24 S   HC   HB21    33     1.09587   110.07134    56.30488
   26    24 S   HC   HB22    34     1.09456   109.92238   175.40015
   27    22 S   N    _N3_    24     1.38333   113.69378    39.81153
   28    27 S   H    _HN3    25     1.01584   119.59237    -3.26231
   29    24 S   S    _SG2    35     1.82831   111.52187   -64.66828
   30    27 S   CT   _CA3    26     1.45287   123.21202   177.15442
   31    30 S   HC   HA31    27     1.09549   107.50539   -64.70410
   32    30 S   HC   HA32    28     1.09557   107.99249    51.73768
   33    29 S   CT   _C10    36     1.84163    99.75903   172.26597
   34    33 S   HC   _H3_    37     1.09729   106.68970   -50.31795
   35    30 S   CO3  _C3_    29     1.52961   114.07460   173.73593
   36    35 S   O2Z  _O31    30     1.26376   116.06650    -0.74808
   37    35 S   O2Z  _O32    31     1.26426   114.41545   179.31357
   38    33 S   CA   _C9_    38     1.51782   111.39806    69.03539
   39    33 S   CT   _C11    50     1.53539   108.12209  -165.68478
   40    39 S   HC   _H10    51     1.09829   111.14858    51.98921
   41    39 S   HC   _H11    52     1.09696   112.69230   -66.57687
   42    38 S   CA   _C4_    39     1.40515   119.55896  -110.92653
   43    42 S   HA   _H6_    40     1.08748   120.41378    -0.00000
   44    39 S   CO4  _C12    53     1.51109   111.52760   170.00444
   45    44 S   O    _O33    54     1.22400   123.73364   -73.66732
   46    42 S   CA   _C5_    41     1.39600   120.79936  -179.91153
   47    46 S   HA   _H7_    42     1.08613   119.89662   179.57572
   48    44 S   OS   _O34    55     1.36129   110.12209   106.25438
   49    46 S   CA   _C6_    43     1.39063   119.61138     0.42887
   50    48 S   CT   _C13    56     1.44767   117.57705   175.38187
   51    50 S   HC   _H12    57     1.09785   108.87047   -40.75447
   52    49 S   CA   _C7_    44     1.39160   120.70273    -0.92725
   53    52 S   HA   _H8_    45     1.08622   120.93454   180.00000
   54    49 S   OH   _O40    48     1.36582   118.29380   178.41810
   55    54 S   HO   _H20    49     0.97314   108.34531  -170.55065
   56    50 S   CT   _C14    58     1.53636   107.97689  -157.83429
   57    56 S   HC   _H4_    59     1.09636   109.56993   174.86176
   58    38 S   CA   _C8_    46     1.40526   121.94334    68.71704
   59    58 S   HA   _H9_    47     1.08710   120.67374    -0.21122
   60    56 S   CT   _C15    60     1.53178   111.46361   -63.14614
   61    60 S   HC   _H13    61     1.09777   109.32329    66.22172
   62    60 S   HC   _H14    62     1.09818   108.58654  -179.05064
   63    56 S   OH   _O39    76     1.42695   109.08144    58.06446
   64    63 S   HO   _H19    77     0.97247   107.39373  -178.70881
   65    60 S   CT   _C16    63     1.52999   111.74521   -57.41576
   66    65 S   CT   _C17    64     1.53957   111.69173    52.14642
   67    66 S   HC   _H15    65     1.09792   109.64466  -170.20150
   68    66 S   HC   _H16    66     1.09389   109.06338    72.51588
   69    65 S   CO3  _C19    71     1.55334   113.89749   173.13356
   70    69 S   O2Z  _O37    72     1.26677   114.69809   167.10445
   71    69 S   O2Z  _O36    73     1.26280   116.42459   -12.97576
   72    65 S   OH   _O38    74     1.43336   107.82400   -68.07453
   73    72 S   HO   _H18    75     0.97432   107.01645  -173.26492
   74    50 S   CT   _C18    67     1.53456   110.14256    81.40565
   75    74 S   HC   _H5_    68     1.09578   110.45812   -54.05369
   76    74 S   OH   _O35    69     1.42567   109.98638  -171.97158
   77    76 S   HO   _H17    70     0.97238   107.55282    60.17268
  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  13   8   4   3   8   4   6   2   7   3  10
   6  16   8   5   3   2   1  13   7   1   1  14   6   5   3   1
  11  11   6   5   5   2   1   2   1   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    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    58    59    39    40    41    44    45    48  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    53    58    59    39    40    41    44  
   40    41    44    45    48    50    42    58  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    58    59    54  
   46    47    49    58  
   45    48    50    51    56    74  
   48    50  
   47    49    52    53    58    54    55  
   49    52    54  
   50    51    56    57    60    66    74    75    76    63  
   52    53    58    59    54    55  
   51    56    57    60    61    62    65    66    67    68    74    75    76    77    63    64  
   56    57    60    66    74    75    76    63  
   53    58    59    54    55  
   58    59    54  
   55    58  
    0  
   57    60    61    62    65    66    74    75    76    69    72    63    64  
   60    61    62    65    74    63    64  
   59  
    0  
   61    62    65    66    67    68    74    69    70    71    72    73    63    64  
   62    65    66    69    72    63  
   65    66    69    72    63  
   64    65    74  
    0  
   66    67    68    74    75    76    69    70    71    72    73  
   67    68    74    75    76    77    69    70    71    72    73  
   68    74    75    76    69    72  
   74    75    76    69    72  
   70    71    72    73    74  
   71    72  
   72  
   73    74  
    0  
   75    76    77  
   76    77  
   77  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   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   268.000  1.529
   38    42   469.000  1.400
   38    58   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    54   450.000  1.364
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    59   367.000  1.080
   54    55   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    74   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   268.000  1.529
   65    69   317.000  1.522
   65    72   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   320.000  1.410
   76    77   553.000  0.945
   69    70   656.000  1.250
   69    71   656.000  1.250
   72    73   553.000  0.945
   63    64   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    42    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    58    52    63.00000  120.00000
   38    58    59    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    54    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    58    63.00000  120.00000
   49    54    55    35.00000  113.00000
   52    58    59    35.00000  120.00000
   58    38    42    63.00000  120.00000
   58    52    53    35.00000  120.00000
   54    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    56    50.00000  109.50000
   48    50    74    50.00000  109.50000
   50    56    57    37.50000  110.70000
   50    56    60    58.35000  112.70000
   50    56    63    50.00000  109.50000
   50    74    66    58.35000  112.70000
   50    74    75    37.50000  110.70000
   50    74    76    50.00000  109.50000
   56    50    51    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    65    58.35000  112.70000
   56    63    64    55.00000  108.50000
   60    56    57    37.50000  110.70000
   60    65    66    58.35000  112.70000
   60    65    69    70.00000  109.69300
   60    65    72    50.00000  109.50000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    68    37.50000  110.70000
   65    66    74    58.35000  112.70000
   65    69    70    70.00000  117.00000
   65    69    71    70.00000  117.00000
   65    72    73    55.00000  108.50000
   66    74    75    37.50000  110.70000
   66    74    76    50.00000  109.50000
   68    66    67    33.00000  107.80000
   74    50    51    37.50000  110.70000
   74    50    56    58.35000  112.70000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    76    77    55.00000  108.50000
   76    74    75    35.00000  109.50000
   69    65    66    70.00000  109.69300
   71    69    70    80.00000  126.00000
   72    65    66    50.00000  109.50000
   72    65    69    95.00000  109.52300
   63    56    57    35.00000  109.50000
   63    56    60    50.00000  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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    58    52   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    58    52   3.62500 -1.0 2.0
   42    38    58    59   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    54   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    53   3.62500 -1.0 2.0
   46    49    52    58   3.62500 -1.0 2.0
   46    49    54    55   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    54   3.62500 -1.0 2.0
   49    52   -58    38   3.62500 -1.0 2.0
   49    52    58    59   3.62500 -1.0 2.0
   52    49    54    55   0.84100 -1.0 2.0
   53    52    58    38   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   58    38    42    43   3.62500 -1.0 2.0
   58    38   -42    46   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    58   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    58   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    56  -0.25900  1.0 1.0
   44    48    50    56  -0.47000 -1.0 2.0
   44    48    50    56   0.11750  1.0 3.0
   44    48    50    74  -0.25900  1.0 1.0
   44    48    50    74  -0.47000 -1.0 2.0
   44    48    50    74   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    56    57   0.23400  1.0 3.0
   48    50    56    60   0.62750  1.0 1.0
   48    50    56    60  -0.30950 -1.0 2.0
   48    50    56    60   0.27300  1.0 3.0
   48    50    56    63   3.69350  1.0 1.0
   48    50    56    63  -1.82950 -1.0 2.0
   48    50    74    66   0.62750  1.0 1.0
   48    50    74    66  -0.30950 -1.0 2.0
   48    50    74    66   0.27300  1.0 3.0
   48    50    74    75   0.23400  1.0 3.0
   48    50    74    76   3.69350  1.0 1.0
   48    50    74    76  -1.82950 -1.0 2.0
   50    56    60    61   0.15000  1.0 3.0
   50    56    60    62   0.15000  1.0 3.0
   50    56    60    65   0.56750  1.0 1.0
   50    56    60    65  -0.07550 -1.0 2.0
   50    56    60    65   0.20000  1.0 3.0
   50    56    63    64  -0.11600  1.0 1.0
   50    56    63    64  -0.09450 -1.0 2.0
   50    56    63    64   0.21250  1.0 3.0
   50    74    76    77  -0.11600  1.0 1.0
   50    74    76    77  -0.09450 -1.0 2.0
   50    74    76    77   0.21250  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    60   0.15000  1.0 3.0
   51    50    56    63   0.23400  1.0 3.0
   51    50    74    66   0.15000  1.0 3.0
   51    50    74    75   0.15000  1.0 3.0
   51    50    74    76   0.23400  1.0 3.0
   56    50    74    66   0.56750  1.0 1.0
   56    50    74    66  -0.07550 -1.0 2.0
   56    50    74    66   0.20000  1.0 3.0
   56    50    74    75   0.15000  1.0 3.0
   56    50    74    76   0.86500  1.0 1.0
   56    50    74    76  -0.17500 -1.0 2.0
   56    50    74    76   0.20800  1.0 3.0
   56    60   -65    66   0.56750  1.0 1.0
   56    60   -65    66  -0.07550 -1.0 2.0
   56    60   -65    66   0.20000  1.0 3.0
   56    60    65    69  -1.63150  1.0 1.0
   56    60    65    69  -0.43550 -1.0 2.0
   56    60    65    69   0.24500  1.0 3.0
   56    60    65    72   0.86500  1.0 1.0
   56    60    65    72  -0.17500 -1.0 2.0
   56    60    65    72   0.20800  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    65   0.15000  1.0 3.0
   57    56    63    64   0.19450  1.0 3.0
   60    56    63    64  -0.11600  1.0 1.0
   60    56    63    64  -0.09450 -1.0 2.0
   60    56    63    64   0.21250  1.0 3.0
   60    65    66    67   0.15000  1.0 3.0
   60    65    66    68   0.15000  1.0 3.0
   60    65    66    74   0.56750  1.0 1.0
   60    65    66    74  -0.07550 -1.0 2.0
   60    65    66    74   0.20000  1.0 3.0
   60    65    69    70   0.41150 -1.0 2.0
   60    65    69    71   0.41150 -1.0 2.0
   60    65    72    73  -0.11600  1.0 1.0
   60    65    72    73  -0.09450 -1.0 2.0
   60    65    72    73   0.21250  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    69  -0.11250  1.0 3.0
   61    60    65    72   0.23400  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    69  -0.11250  1.0 3.0
   62    60    65    72   0.23400  1.0 3.0
   65    66   -74    50   0.56750  1.0 1.0
   65    66   -74    50  -0.07550 -1.0 2.0
   65    66   -74    50   0.20000  1.0 3.0
   65    66    74    75   0.15000  1.0 3.0
   65    66    74    76   0.86500  1.0 1.0
   65    66    74    76  -0.17500 -1.0 2.0
   65    66    74    76   0.20800  1.0 3.0
   66    65    69    70   0.41150 -1.0 2.0
   66    65    69    71   0.41150 -1.0 2.0
   66    65    72    73  -0.11600  1.0 1.0
   66    65    72    73  -0.09450 -1.0 2.0
   66    65    72    73   0.21250  1.0 3.0
   66    74    76    77  -0.11600  1.0 1.0
   66    74    76    77  -0.09450 -1.0 2.0
   66    74    76    77   0.21250  1.0 3.0
   67    66    74    50   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.23400  1.0 3.0
   68    66    74    50   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.23400  1.0 3.0
   74    50    56    57   0.15000  1.0 3.0
   74    50   -56    60   0.56750  1.0 1.0
   74    50   -56    60  -0.07550 -1.0 2.0
   74    50   -56    60   0.20000  1.0 3.0
   74    50    56    63   0.86500  1.0 1.0
   74    50    56    63  -0.17500 -1.0 2.0
   74    50    56    63   0.20800  1.0 3.0
   75    74    76    77   0.19450  1.0 3.0
   69    65    66    67  -0.11250  1.0 3.0
   69    65    66    68  -0.11250  1.0 3.0
   69    65    66    74  -1.63150  1.0 1.0
   69    65    66    74  -0.43550 -1.0 2.0
   69    65    66    74   0.24500  1.0 3.0
   69    65    72    73   0.91850  1.0 1.0
   69    65    72    73   0.57950  1.0 3.0
   72    65    66    67   0.23400  1.0 3.0
   72    65    66    68   0.23400  1.0 3.0
   72    65    66    74   0.86500  1.0 1.0
   72    65    66    74  -0.17500 -1.0 2.0
   72    65    66    74   0.20800  1.0 3.0
   72    65    69    70   0.30150 -1.0 2.0
   72    65    69    71   0.30150 -1.0 2.0
   63    56    60    61   0.23400  1.0 3.0
   63    56    60    62   0.23400  1.0 3.0
   63    56    60    65   0.86500  1.0 1.0
   63    56    60    65  -0.17500 -1.0 2.0
   63    56    60    65   0.20800  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
   42    58    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    54    49    46   4.00000 -1.0 2.0
   58    53    52    49   1.10000 -1.0 2.0
   52    59    58    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   70    65    69    71  10.50000 -1.0 2.0
END
