* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    142    237     428
    1     0 S   NP   _N1_     1    28.71801    96.05934   -22.14761
    2     1 S   H    _HN1     2     1.02950    76.65583    15.45283
    3     1 S   H    _H1_     3     1.02829    38.82022   156.37221
    4     1 S   H    _H2_     4     1.02783    95.76073   -92.08880
    5     1 S   CT   _CA1     5     1.50112   145.88433   122.22484
    6     5 S   HC   _HA1     6     1.09573   105.20909    81.32974
    7     5 S   CO3  _C1_     7     1.53796   112.44308   -38.91955
    8     7 S   O2Z  _O11     8     1.26372   115.00631   -42.82602
    9     7 S   O2Z  _O12     9     1.26240   114.95165   136.32999
   10     5 S   CT   _CB1    10     1.53086   107.42491  -160.68215
   11    10 S   HC   HB11    11     1.09831   109.39504   -49.80800
   12    10 S   HC   HB12    12     1.09814   110.43368    66.80282
   13    10 S   CT   _CG1    13     1.52985   112.59786  -170.79897
   14    13 S   HC   HG11    14     1.09585   110.59556   -64.90531
   15    13 S   HC   HG12    15     1.09668   109.82236    54.31938
   16    13 S   C    _CD1    16     1.51800   112.27798   174.77460
   17    16 S   O    _OE1    17     1.22725   123.31103     5.07034
   18    16 S   N    _N2_    18     1.38656   111.63640  -175.03193
   19    18 S   H    _HN2    19     1.01581   118.92857     1.89837
   20    18 S   CT1  _CA2    20     1.46197   123.39693   177.93048
   21    20 S   HC   _HA2    21     1.09737   109.38780     1.25554
   22    20 S   C    _C2_    22     1.53546   108.55139  -114.21076
   23    22 S   O    _O2_    23     1.23055   122.28530  -147.76662
   24    20 S   CT   _CB2    32     1.53507   111.62578   123.28036
   25    24 S   HC   HB21    33     1.09512   109.52509    55.86347
   26    24 S   HC   HB22    34     1.09316   109.71279   174.68610
   27    22 S   N    _N3_    24     1.38330   113.68513    39.67008
   28    27 S   H    _HN3    25     1.01594   119.58469    -3.36837
   29    24 S   S    _SG2    35     1.83100   111.17656   -64.64705
   30    27 S   CT   _CA3    26     1.45289   123.18483   177.09478
   31    30 S   HC   HA31    27     1.09550   107.50998   -64.46725
   32    30 S   HC   HA32    28     1.09557   107.97947    51.96263
   33    29 S   CT   _C21    36     1.86846   102.45363  -173.37830
   34    30 S   CO3  _C3_    29     1.52954   114.09903   173.95795
   35    34 S   O2Z  _O31    30     1.26375   116.06509    -0.77405
   36    34 S   O2Z  _O32    31     1.26430   114.41117   179.29003
   37    33 S   CT   _C17    37     1.53296   110.83946   -45.60646
   38    37 S   HC   _H32    38     1.09616   111.61267    74.40641
   39    37 S   HC   _H33    39     1.09699   111.97995   -46.43296
   40    33 S   CT   _C18    64     1.55386   104.93645  -164.84099
   41    40 S   HC   _H34    65     1.10142   108.30835    45.19007
   42    40 S   HC   _H35    66     1.09953   110.50018   -68.73021
   43    33 S   CT   _C22    73     1.53658   106.84564    75.75652
   44    43 S   HC   _H37    74     1.09600   111.63287    67.74535
   45    43 S   HC   _H38    75     1.09486   112.40701   -53.37641
   46    43 S   HC   _H39    76     1.09205   111.98251  -171.42389
   47    37 S   CO4  _C15    40     1.51369   110.53406  -165.46586
   48    47 S   O    _O21    41     1.22959   121.04869  -122.79364
   49    47 S   CT   _C19    42     1.52303   115.45876    59.30046
   50    49 S   HC   _H36    43     1.10000   106.61328    58.79898
   51    49 S   CA   _C11    44     1.51580   112.76306   175.52880
   52    51 S   CA   _C7_    45     1.40498   118.09164   -76.85486
   53    52 S   HA   _H29    46     1.09053   118.59039     0.34321
   54    51 S   CA   _C10    57     1.39915   123.06981   103.13222
   55    52 S   CA   _C8_    47     1.40220   122.19062  -179.69804
   56    54 S   CO4  _C14    58     1.49182   119.09081    -0.64224
   57    56 S   O    _O20    59     1.22902   120.61459   178.64983
   58    55 S   CA   _C5_    48     1.40561   119.45565   180.00000
   59    58 S   HA   _H27    49     1.08872   120.47334     0.07402
   60    56 S   CT   _C16    60     1.51237   119.01499    -4.61100
   61    60 S   HC   _H30    61     1.09738   106.92450   152.01191
   62    60 S   HC   _H31    62     1.08984   106.14318   -92.52021
   63    58 S   CA   _C4_    50     1.39187   121.18551  -179.92598
   64    63 S   HA   _H26    51     1.08605   120.09262  -180.00000
   65    49 S   CT   _C20    63     1.53412   109.44041   -58.11033
   66    63 S   CA   _C6_    52     1.38679   119.69799     0.02798
   67    66 S   HA   _H28    53     1.08631   119.28908   179.97202
   68    65 S   OH   _O24    67     1.44248   108.69041   164.91051
   69    68 S   HO   _H42    68     0.97263   108.55379   -56.98972
   70    66 S   CA   _C12    54     1.39855   119.70620    -0.02798
   71    55 S   CA   _C9_    55     1.41455   120.06790     0.00000
   72    70 S   OH   _O22    71     1.37297   117.88410  -180.00000
   73    72 S   HO   _H40    72     0.97168   109.25611     0.07402
   74    71 S   CA   _C13    56     1.42711   117.31790    -0.15577
   75    74 S   OH   _O23    69     1.37559   117.12035  -179.86878
   76    75 S   HO   _H41    70     0.97262   109.70192  -179.46441
  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
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  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
