* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    132    192     376
    1     0 S   NP   _N1_     1    28.15611    94.32621   -20.79945
    2     1 S   H    _HN1     2     1.02965    85.10486   -12.21434
    3     1 S   H    _H1_     3     1.02845    36.27526   115.72854
    4     1 S   H    _H2_     4     1.02791    88.47075  -120.67371
    5     1 S   CT   _CA1     5     1.50093   146.91244   108.73197
    6     5 S   HC   _HA1     6     1.09568   105.29012    63.80932
    7     5 S   CO3  _C1_     7     1.53697   112.40157   -56.51978
    8     7 S   O2Z  _O11     8     1.26420   115.06117   -45.79926
    9     7 S   O2Z  _O12     9     1.26173   115.10832   133.75476
   10     5 S   CT   _CB1    10     1.53086   107.41311  -178.22767
   11    10 S   HC   HB11    11     1.09833   109.44013   -51.31058
   12    10 S   HC   HB12    12     1.09691   110.34543    65.06620
   13    10 S   CT   _CG1    13     1.52991   112.69545  -172.29138
   14    13 S   HC   HG11    14     1.09595   110.72429   -63.76486
   15    13 S   HC   HG12    15     1.09647   109.70483    55.45499
   16    13 S   C    _CD1    16     1.51770   112.13251   176.36719
   17    16 S   O    _OE1    17     1.22771   123.16436    12.61629
   18    16 S   N    _N2_    18     1.38573   111.84801  -168.35801
   19    18 S   H    _HN2    19     1.01548   119.20718     4.87025
   20    18 S   CT1  _CA2    20     1.45761   122.74627  -179.91377
   21    20 S   HC   _HA2    21     1.09568   108.35158    28.72769
   22    20 S   C    _C2_    22     1.52944   107.46660   -87.96676
   23    22 S   O    _O2_    23     1.22955   123.10133   -25.98100
   24    20 S   CT   _CB2    32     1.53362   112.40021   152.14436
   25    24 S   HC   HB21    33     1.09658   109.72500    61.64039
   26    24 S   HC   HB22    34     1.09562   111.24569   179.22570
   27    22 S   N    _N3_    24     1.38498   112.44488   156.74119
   28    27 S   H    _HN3    25     1.01644   120.37268    -2.52809
   29    24 S   S    _SG2    35     1.82542   113.51797   -57.61094
   30    27 S   CT   _CA3    26     1.45352   122.55501   178.52170
   31    30 S   HC   HA31    27     1.09564   107.84007   -55.23716
   32    30 S   HC   HA32    28     1.09558   107.60918    61.13489
   33    29 S   CT   _C17    36     1.82487    99.94908   -74.20239
   34    33 S   HC   _H20    37     1.09308   110.65326    31.85644
   35    33 S   HC   _H21    38     1.09511   107.58508   -85.04922
   36    30 S   CO3  _C3_    29     1.52907   114.22857  -177.16966
   37    36 S   O2Z  _O31    30     1.26350   116.02195    -0.85592
   38    36 S   O2Z  _O32    31     1.26426   114.43165   179.12464
   39    33 S   CT   _C16    39     1.53365   111.72843   155.01695
   40    39 S   HC   _H18    40     1.09871   108.12110   173.21077
   41    39 S   HC   _H19    41     1.09503   109.65792    59.94388
   42    39 S   CM   _C6_    42     1.50760   114.12312   -66.27031
   43    42 S   CM   _C5_    43     1.35312   128.80388   109.40587
   44    43 S   NE   _N4_    44     1.41786   115.10973   179.07804
   45    43 S   CT   _C4_    72     1.50110   124.49296    -1.37970
   46    45 S   HC   _H3_    73     1.09493   110.45604   117.57078
   47    45 S   HC   _H4_    74     1.09523   110.34504  -121.84785
   48    45 S   HC   _H5_    75     1.09193   113.47118    -2.49693
   49    44 S   CM   _C7_    45     1.41462   111.13708     1.93462
   50    44 S   CT   _C8_    55     1.47159   122.58224  -174.89689
   51    50 S   HC   _H6_    56     1.09548   111.86874    -8.60261
   52    50 S   HC   _H7_    57     1.08979   108.08503  -122.11970
   53    42 S   S    _S1_    46     1.75757   118.34366   -72.45342
   54    49 S   CM   _C14    47     1.35863   130.63296   177.56000
   55    50 S   CA   _C9_    58     1.50953   113.95841   111.69039
   56    54 S   CT   _C15    48     1.50967   126.56570   177.41866
   57    56 S   HC   _H14    49     1.09143   114.71129    14.37679
   58    56 S   HC   _H15    50     1.09630   109.50219   134.41165
   59    54 S   OH   _O34    53     1.38220   123.26323    -4.39436
   60    59 S   HO   _H17    54     0.97125   108.67648   -38.89464
   61    55 S   CA   _C10    59     1.38989   121.25032   -39.00756
   62    61 S   HA   _H8_    60     1.08592   121.45189     2.53034
   63    56 S   OH   _O33    51     1.42273   108.92567  -107.27190
   64    63 S   HO   _H16    52     0.97205   106.99657  -176.85353
   65    61 S   NB   _N5_    61     1.34724   124.74256  -177.01653
   66    65 S   CQ   _C11    62     1.34305   115.42334     1.42711
   67    66 S   NB   _N6_    63     1.34851   125.17680    -0.39366
   68    66 S   CT   _C13    68     1.49510   117.46858  -178.68657
   69    68 S   HC   _H11    69     1.09383   109.68117    89.65155
   70    68 S   HC   _H12    70     1.09432   110.64072  -150.31008
   71    68 S   HC   _H13    71     1.09432   110.67286   -30.40235
   72    55 S   CA   _C12    64     1.39535   123.43285   145.81746
   73    72 S   NE   _N7_    65     1.39098   121.56101    -0.31775
   74    73 S   H    _H9_    66     1.01431   119.62279   -36.77159
   75    73 S   H    _H10    67     1.01281   115.65590   177.24807
  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   7   5   4   3
   8   5   4   2   1   1   8   4   3  10  12  15   6   2   1   1
  12  11   4   3   3   7   9   6   4   3   2   1   7   3   1   1
   7   7   8   4   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    53  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    49    53    45  
   41    42    43    53  
   42    43    53  
   43    44    49    53    54    50    45    46    47    48  
   44    49    53    54    50    51    52    55    45    46    47    48  
   49    53    54    56    59    50    51    52    55    61    72    45    46    47    48  
   46    47    48    49    50    53  
   47    48  
   48  
    0  
   53    54    56    57    58    63    59    60    50    51    52    55  
   51    52    55    61    62    65    67    72    73    53    54  
   52    55    61    72  
   55    61    72  
   54    56    59  
   56    57    58    63    64    59    60  
   61    62    65    66    67    72    73    74    75  
   57    58    63    64    59    60  
   58    63    64    59  
   63    64    59  
   60    63  
    0  
   62    65    66    67    72    73    68  
   65    66    72  
   64  
    0  
   66    67    72    68    69    70    71  
   67    72    73    68    69    70    71  
   72    73    74    75    68    69    70    71  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75  
   74    75  
   75  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.2500   0.1700  -0.271300   1.9050   1.6860   0.051222218  -2.220205820
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.025500   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.230300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.6000   0.3550  -0.015000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.607000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   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   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   66   3.5500   0.0700   0.727000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   68   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   74   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.360000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   317.000  1.510
   42    43   549.000  1.340
   42    53   240.000  1.763
   43    44   425.000  1.378
   43    45   317.000  1.510
   44    49   425.000  1.378
   44    50   382.000  1.448
   49    53   240.000  1.763
   49    54   549.000  1.340
   54    56   317.000  1.510
   54    59   510.000  1.338
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   320.000  1.410
   63    64   553.000  0.945
   59    60   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   317.000  1.510
   55    61   469.000  1.400
   55    72   469.000  1.400
   61    62   367.000  1.080
   61    65   483.000  1.339
   65    66   502.000  1.324
   66    67   502.000  1.324
   66    68   317.000  1.510
   67    72   483.000  1.339
   72    73   481.000  1.340
   73    74   434.000  1.010
   73    75   434.000  1.010
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    70.00000  112.02700
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    70.00000  124.00000
   39    42    53    65.00000  117.37300
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    44    70.00000  124.03900
   42    43    45    70.00000  124.00000
   42    53    49   100.00000   99.78000
   43    44    49    75.00000  118.45600
   43    44    50    50.00000  121.00000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    35.00000  109.50000
   44    49    53    80.00000  112.78000
   44    49    54    70.00000  124.03900
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    55    75.00000  113.31400
   49    54    56    70.00000  124.00000
   49    54    59    80.00000  121.38400
   53    42    43    65.00000  122.11800
   54    49    53    65.00000  122.11800
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    63    90.00000  110.39200
   54    59    60    70.00000  107.45700
   56    63    64    55.00000  108.50000
   58    56    57    33.00000  107.80000
   63    56    57    35.00000  109.50000
   63    56    58    35.00000  109.50000
   59    54    56    90.00000  109.34000
   50    44    49    50.00000  121.00000
   50    55    61    70.00000  120.00000
   50    55    72    70.00000  120.00000
   52    50    51    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    52    35.00000  109.50000
   55    61    62    35.00000  120.00000
   55    61    65    70.00000  124.00000
   55    72    67    70.00000  124.00000
   55    72    73    70.00000  120.10000
   61    65    66    70.00000  118.60000
   65    61    62    35.00000  116.00000
   65    66    67    70.00000  129.10000
   65    66    68    75.00000  115.74700
   66    67    72    70.00000  118.60000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    35.00000  109.50000
   67    72    73    80.00000  117.25000
   72    55    61    63.00000  120.00000
   72    73    74    35.00000  113.50000
   72    73    75    35.00000  113.50000
   75    73    74    35.00000  109.00000
   68    66    67    75.00000  115.74700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   45    43    44    75.00000  116.24600
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.09850  1.0 1.0
   33    39    42    43   0.15250 -1.0 2.0
   33    39    42    43  -0.50650  1.0 3.0
   33    39    42    53   0.09700  1.0 1.0
   33    39    42    53   0.15600 -1.0 2.0
   33    39    42    53  -0.50800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   39    42    43    44   7.00000 -1.0 2.0
   39    42    43    45   7.00000 -1.0 2.0
   39    42    53    49   1.00000 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    53   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    53   0.00000  1.0 1.0
   42    43   -44    49  -0.54500  1.0 1.0
   42    43   -44    49   1.14150 -1.0 2.0
   42    43    44    50  -0.54700  1.0 1.0
   42    43    44    50   1.23000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.00000  1.0 1.0
   42    43    45    48   0.00000  1.0 1.0
   43    42   -53    49   1.00000 -1.0 2.0
   43    44   -49    53   1.00000 -1.0 2.0
   43    44    49    54  -0.54500  1.0 1.0
   43    44    49    54   1.14150 -1.0 2.0
   43    44    50    51   0.00000  1.0 1.0
   43    44    50    52   0.00000  1.0 1.0
   43    44    50    55  -0.12500  1.0 1.0
   43    44    50    55  -0.12500 -1.0 2.0
   43    44    50    55   0.25000  1.0 3.0
   44    43    45    46  -0.18050  1.0 3.0
   44    43    45    47  -0.18050  1.0 3.0
   44    43    45    48  -0.18050  1.0 3.0
   44    49   -53    42   1.00000 -1.0 2.0
   44    49    54    56   7.00000 -1.0 2.0
   44    49    54    59   7.00000 -1.0 2.0
   44    50    55    61  -0.06000  1.0 1.0
   44    50    55    61   0.30500 -1.0 2.0
   44    50    55    61   0.09200  1.0 3.0
   44    50    55    72  -0.06000  1.0 1.0
   44    50    55    72   0.30500 -1.0 2.0
   44    50    55    72   0.09200  1.0 3.0
   49    44    50    51   0.00000  1.0 1.0
   49    44    50    52   0.00000  1.0 1.0
   49    44    50    55  -0.12500  1.0 1.0
   49    44    50    55  -0.12500 -1.0 2.0
   49    44    50    55   0.25000  1.0 3.0
   49    54    56    57   0.00000  1.0 1.0
   49    54    56    58   0.00000  1.0 1.0
   49    54    56    63   0.67800  1.0 1.0
   49    54    56    63   0.47050 -1.0 2.0
   49    54    56    63  -0.62500  1.0 3.0
   49    54    59    60  -0.66100  1.0 1.0
   49    54    59    60   1.20850 -1.0 2.0
   49    54    59    60  -0.36000  1.0 3.0
   53    42   -43    44   7.00000 -1.0 2.0
   53    42    43    45   7.00000 -1.0 2.0
   53    49    54    56   7.00000 -1.0 2.0
   53    49    54    59   7.00000 -1.0 2.0
   54    49    53    42   1.00000 -1.0 2.0
   54    56    63    64  -0.07800  1.0 1.0
   54    56    63    64  -0.21500 -1.0 2.0
   54    56    63    64  -0.03150  1.0 3.0
   56    54    59    60   2.00000 -1.0 2.0
   57    56    63    64   0.19450  1.0 3.0
   58    56    63    64   0.19450  1.0 3.0
   59    54    56    57   0.00000  1.0 1.0
   59    54    56    58   0.00000  1.0 1.0
   59    54    56    63   0.09700  1.0 1.0
   59    54    56    63   0.15600 -1.0 2.0
   59    54    56    63  -0.50800  1.0 3.0
   50    44    49    53   1.00000 -1.0 2.0
   50    44    49    54  -0.54700  1.0 1.0
   50    44    49    54   1.23000 -1.0 2.0
   50    55    61    62   3.62500 -1.0 2.0
   50    55    61    65   3.62500 -1.0 2.0
   50    55    72    67   3.62500 -1.0 2.0
   50    55    72    73   3.62500 -1.0 2.0
   51    50    55    61   0.00000  1.0 1.0
   51    50    55    72   0.00000  1.0 1.0
   52    50    55    61   0.00000  1.0 1.0
   52    50    55    72   0.00000  1.0 1.0
   55    61    65    66   3.62500 -1.0 2.0
   55    72    73    74   1.00000 -1.0 2.0
   55    72    73    75   1.00000 -1.0 2.0
   61    55    72    67   3.62500 -1.0 2.0
   61    55    72    73   3.62500 -1.0 2.0
   61    65   -66    67   3.62500 -1.0 2.0
   61    65    66    68   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   65    66    67    72   3.62500 -1.0 2.0
   65    66    68    69   0.00000  1.0 1.0
   65    66    68    70   0.00000  1.0 1.0
   65    66    68    71   0.00000  1.0 1.0
   66    67   -72    55   3.62500 -1.0 2.0
   66    67    72    73   3.62500 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.00000  1.0 1.0
   67    66    68    71   0.00000  1.0 1.0
   67    72    73    74   1.75000 -1.0 2.0
   67    72    73    75   1.75000 -1.0 2.0
   72    55    61    62   3.62500 -1.0 2.0
   72    55   -61    65   3.62500 -1.0 2.0
   68    66    67    72   3.62500 -1.0 2.0
   45    43    44    49   1.00000 -1.0 2.0
   45    43    44    50   1.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   39    53    42    43   1.10000 -1.0 2.0
   45    44    43    42   1.10000 -1.0 2.0
   50    43    44    49   1.00000 -1.0 2.0
   44    53    49    54   1.10000 -1.0 2.0
   56    59    54    49   1.10000 -1.0 2.0
   61    72    55    50   4.00000 -1.0 2.0
   65    62    61    55   1.10000 -1.0 2.0
   68    67    66    65   4.00000 -1.0 2.0
   67    73    72    55   4.00000 -1.0 2.0
   75    72    73    74   1.00000 -1.0 2.0
END
