* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    143    225     429
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02098    43.88080  -137.88666
    3     1 S   H    _H1_     3     1.02110   104.22827   -35.66869
    4     1 S   H    _H2_     4     1.02124    69.21440    69.28707
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.67109    58.69410
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C10    36     1.88388    96.23787  -158.12356
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C11    37     1.55481   106.51642   -40.00516
   38    37 S   HC   _H13    38     1.09964   108.42650   145.27179
   39    37 S   HC   _H14    39     1.10066   110.74402    31.36633
   40    33 S   CT   _C5_    56     1.56652   106.22434    78.71269
   41    40 S   HC   _H8_    57     1.09821   108.84806  -177.87597
   42    37 S   CT   _C12    40     1.54696   116.33141   -93.69289
   43    42 S   HC   _H3_    41     1.10472   107.40798   -94.55811
   44    40 S   CT   _C4_    58     1.53647   115.73017   -60.23568
   45    44 S   HC   _H5_    59     1.08615   109.44818    60.12330
   46    44 S   HC   _H6_    60     1.08568   109.46348   -59.91355
   47    44 S   HC   _H7_    61     1.08590   109.41187  -179.94766
   48    42 S   CT   _C13    42     1.53524   115.08031    24.36558
   49    48 S   HC   _H4_    43     1.08797   109.17027  -169.97028
   50    42 S   CM   _C15    68     1.50325   110.98306   153.27962
   51    48 S   CT   _C14    44     1.54139   114.33578   -47.61996
   52    51 S   HC   _H15    45     1.11325   109.16125   142.26528
   53    51 S   HC   _H16    46     1.11444   108.09597  -107.44073
   54    48 S   OH   _O34    66     1.42989   110.86332    74.43333
   55    54 S   HO   _H17    67     0.96995   106.41915   174.15041
   56    50 S   CM   _C16    69     1.34050   121.94221   -65.21219
   57    56 S   HC   _H18    70     1.08524   121.39258   179.94405
   58    56 S   HC   _H19    71     1.08543   121.37558     0.00000
   59    50 S   CT   _C17    72     1.50022   116.13228   114.74190
   60    59 S   HC   _H20    73     1.09447   110.29921   -89.94386
   61    59 S   HC   _H21    74     1.09501   110.24293    29.91306
   62    59 S   HC   _H22    75     1.09486   112.13960   149.97343
   63    33 S   CT   _C9_    47     1.57537   111.46426  -161.14909
   64    63 S   CT   _C8_    48     1.55801   110.12160   -60.43553
   65    64 S   HC   _H11    49     1.09925   109.77119  -176.51980
   66    64 S   HC   _H12    50     1.09701   110.25974    68.50325
   67    63 S   CT   _C18    62     1.56069   112.60419  -178.69479
   68    67 S   HC   _H23    63     1.07780   108.06630   -59.44951
   69    67 S   HC   _H24    64     1.07760   108.07598  -179.41852
   70    67 S   HC   _H25    65     1.07715   108.04993    60.55909
   71    64 S   CT   _C7_    51     1.52679   113.68898   -54.58421
   72    71 S   HC   _H9_    52     1.09028   111.20619   -72.78807
   73    71 S   HC   _H10    53     1.09114   108.98880   168.67895
   74    71 S   CO4  _C6_    54     1.51381   112.35479    48.23987
   75    74 S   O    _O33    55     1.23148   120.33392   137.83358
  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
  27   2   1   1  18   7   6  15   8  17   7   7   3   2   1  12
   7   9  13   5   4   2   1   6   2   1   3   2   1   1  11  11
   6   5   4   2   1   1   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    63    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    51    63    64    74    40    41    44    67  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    48    51    52    53    63    64    65    66    71    74    75    40    41    44    45    46    47    67    68    69    70    50  
   35    36  
   36  
    0  
   38    39    42    43    48    49    51    63    64    74    40    41    44    67    54    50    56    59  
   39    42    43    48    63    40    50  
   42    43    48    63    40    50  
   41    44    45    46    47    67    42    51    63    64    71    72    73    74    75  
   44    45    46    47    63    71    74    75  
   43    48    49    51    52    53    63    54    55    50    56    57    58    59    60    61    62  
   48    49    51    54    50    56    59  
   45    46    47    63    71    74    75  
   46    47    74  
   47    74  
   74  
   49    51    52    53    63    64    67    54    55    50    56    59  
   51    52    53    63    54    55    50  
   56    57    58    59    60    61    62    51    54  
   52    53    63    64    65    66    71    67    68    69    70    54    55  
   53    63    64    67    54  
   63    64    67    54  
   55    63  
    0  
   57    58    59    60    61    62  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    71    72    73    74    67    68    69    70  
   65    66    71    72    73    74    75    67    68    69    70  
   66    71    72    73    74    67  
   71    72    73    74    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75  
   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   0.167500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    63   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    48   268.000  1.529
   42    50   317.000  1.510
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    54   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    63   268.000  1.529
   63    64   268.000  1.529
   63    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   317.000  1.522
   74    75   570.000  1.229
   74    40   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   553.000  0.945
   50    56   549.000  1.340
   50    59   317.000  1.510
   56    57   340.000  1.080
   56    58   340.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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    63    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    63    51    58.35000  112.70000
   33    63    64    58.35000  112.70000
   33    63    67    58.35000  112.70000
   33    40    74    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   37    42    43    37.50000  110.70000
   37    42    48    58.35000  112.70000
   37    42    50    70.00000  112.02700
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    48    49    37.50000  110.70000
   42    48    51    58.35000  112.70000
   42    48    54    50.00000  109.50000
   42    50    56    70.00000  124.00000
   42    50    59    65.00000  117.92700
   48    42    43    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    63    58.35000  112.70000
   48    54    55    55.00000  108.50000
   51    48    49    37.50000  110.70000
   51    63    64    58.35000  112.70000
   51    63    67    58.35000  112.70000
   53    51    52    33.00000  107.80000
   63    33    37    58.35000  112.70000
   63    51    52    37.50000  110.70000
   63    51    53    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    66    37.50000  110.70000
   63    64    71    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    74    63.00000  111.10000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    74    75    80.00000  120.40000
   71    74    40    70.00000  116.00000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   74    40    41    35.00000  109.50000
   74    40    44    63.00000  111.10000
   40    33    37    58.35000  112.70000
   40    33    63    58.35000  112.70000
   40    74    75    80.00000  120.40000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   67    63    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    51    50.00000  109.50000
   50    42    43    35.00000  109.50000
   50    42    48    70.00000  112.02700
   50    56    57    35.00000  120.00000
   50    56    58    35.00000  120.00000
   50    59    60    35.00000  109.50000
   50    59    61    35.00000  109.50000
   50    59    62    35.00000  109.50000
   58    56    57    35.00000  117.00000
   59    50    56    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   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
   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    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    63    51   0.44750  1.0 1.0
   29    33    63    51  -0.17800 -1.0 2.0
   29    33    63    51   0.20200  1.0 3.0
   29    33    63    64   0.44750  1.0 1.0
   29    33    63    64  -0.17800 -1.0 2.0
   29    33    63    64   0.20200  1.0 3.0
   29    33    63    67   0.44750  1.0 1.0
   29    33    63    67  -0.17800 -1.0 2.0
   29    33    63    67   0.20200  1.0 3.0
   29    33    40    74   0.56750  1.0 1.0
   29    33    40    74  -0.07550 -1.0 2.0
   29    33    40    74   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    48   0.56750  1.0 1.0
   33    37    42    48  -0.07550 -1.0 2.0
   33    37    42    48   0.20000  1.0 3.0
   33    37    42    50   0.34400  1.0 1.0
   33    37    42    50   0.09450 -1.0 2.0
   33    37    42    50   0.11100  1.0 3.0
   33    63    64    65   0.15000  1.0 3.0
   33    63    64    66   0.15000  1.0 3.0
   33    63    64    71   0.56750  1.0 1.0
   33    63    64    71  -0.07550 -1.0 2.0
   33    63    64    71   0.20000  1.0 3.0
   33    63    67    68   0.15000  1.0 3.0
   33    63    67    69   0.15000  1.0 3.0
   33    63    67    70   0.15000  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   37    33    63    51   0.56750  1.0 1.0
   37    33    63    51  -0.07550 -1.0 2.0
   37    33    63    51   0.20000  1.0 3.0
   37    33    63    64   0.56750  1.0 1.0
   37    33    63    64  -0.07550 -1.0 2.0
   37    33    63    64   0.20000  1.0 3.0
   37    33    63    67   0.56750  1.0 1.0
   37    33    63    67  -0.07550 -1.0 2.0
   37    33    63    67   0.20000  1.0 3.0
   37    33    40    74  -0.95700  1.0 1.0
   37    33    40    74  -0.18200 -1.0 2.0
   37    33    40    74   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44   0.56750  1.0 1.0
   37    33    40    44  -0.07550 -1.0 2.0
   37    33    40    44   0.20000  1.0 3.0
   37    42    48    49   0.15000  1.0 3.0
   37    42   -48    51   0.56750  1.0 1.0
   37    42   -48    51  -0.07550 -1.0 2.0
   37    42   -48    51   0.20000  1.0 3.0
   37    42    48    54   0.86500  1.0 1.0
   37    42    48    54  -0.17500 -1.0 2.0
   37    42    48    54   0.20800  1.0 3.0
   37    42    50    56   0.09850  1.0 1.0
   37    42    50    56   0.15250 -1.0 2.0
   37    42    50    56  -0.50650  1.0 3.0
   37    42    50    59   0.46850  1.0 1.0
   37    42    50    59   0.08550 -1.0 2.0
   37    42    50    59   0.09800  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    48   0.15000  1.0 3.0
   38    37    42    50   0.15000  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    48   0.15000  1.0 3.0
   39    37    42    50   0.15000  1.0 3.0
   42    48    51    52   0.15000  1.0 3.0
   42    48    51    53   0.15000  1.0 3.0
   42    48    51    63   0.56750  1.0 1.0
   42    48    51    63  -0.07550 -1.0 2.0
   42    48    51    63   0.20000  1.0 3.0
   42    48    54    55  -0.11600  1.0 1.0
   42    48    54    55  -0.09450 -1.0 2.0
   42    48    54    55   0.21250  1.0 3.0
   42    50    56    57   7.00000 -1.0 2.0
   42    50    56    58   7.00000 -1.0 2.0
   42    50    59    60   0.34800  1.0 3.0
   42    50    59    61   0.34800  1.0 3.0
   42    50    59    62   0.34800  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   43    42    48    54   0.23400  1.0 3.0
   43    42    50    56   0.00000  1.0 1.0
   43    42    50    59   0.34800  1.0 3.0
   48    42    50    56   0.09850  1.0 1.0
   48    42    50    56   0.15250 -1.0 2.0
   48    42    50    56  -0.50650  1.0 3.0
   48    42    50    59   0.46850  1.0 1.0
   48    42    50    59   0.08550 -1.0 2.0
   48    42    50    59   0.09800  1.0 3.0
   48    51   -63    33   0.56750  1.0 1.0
   48    51   -63    33  -0.07550 -1.0 2.0
   48    51   -63    33   0.20000  1.0 3.0
   48    51    63    64   0.56750  1.0 1.0
   48    51    63    64  -0.07550 -1.0 2.0
   48    51    63    64   0.20000  1.0 3.0
   48    51    63    67   0.56750  1.0 1.0
   48    51    63    67  -0.07550 -1.0 2.0
   48    51    63    67   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    63   0.15000  1.0 3.0
   49    48    54    55   0.19450  1.0 3.0
   51    48    54    55  -0.11600  1.0 1.0
   51    48    54    55  -0.09450 -1.0 2.0
   51    48    54    55   0.21250  1.0 3.0
   51    63    64    65   0.15000  1.0 3.0
   51    63    64    66   0.15000  1.0 3.0
   51    63    64    71   0.56750  1.0 1.0
   51    63    64    71  -0.07550 -1.0 2.0
   51    63    64    71   0.20000  1.0 3.0
   51    63    67    68   0.15000  1.0 3.0
   51    63    67    69   0.15000  1.0 3.0
   51    63    67    70   0.15000  1.0 3.0
   52    51    63    33   0.15000  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    67   0.15000  1.0 3.0
   53    51    63    33   0.15000  1.0 3.0
   53    51    63    64   0.15000  1.0 3.0
   53    51    63    67   0.15000  1.0 3.0
   63    33    37    38   0.15000  1.0 3.0
   63    33    37    39   0.15000  1.0 3.0
   63    33   -37    42   0.56750  1.0 1.0
   63    33   -37    42  -0.07550 -1.0 2.0
   63    33   -37    42   0.20000  1.0 3.0
   63    33    40    74  -0.95700  1.0 1.0
   63    33    40    74  -0.18200 -1.0 2.0
   63    33    40    74   0.29450  1.0 3.0
   63    33    40    41   0.15000  1.0 3.0
   63    33    40    44   0.56750  1.0 1.0
   63    33    40    44  -0.07550 -1.0 2.0
   63    33    40    44   0.20000  1.0 3.0
   63    64    71    72   0.15000  1.0 3.0
   63    64    71    73   0.15000  1.0 3.0
   63    64   -71    74  -0.95700  1.0 1.0
   63    64   -71    74  -0.18200 -1.0 2.0
   63    64   -71    74   0.29450  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   64    71    74    75   0.30150 -1.0 2.0
   64    71    74    40   0.60050  1.0 1.0
   64    71    74    40   0.05600 -1.0 2.0
   64    71    74    40   0.26150  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    74  -0.11250  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    74  -0.11250  1.0 3.0
   71    74   -40    33   0.60050  1.0 1.0
   71    74   -40    33   0.05600 -1.0 2.0
   71    74   -40    33   0.26150  1.0 3.0
   71    74    40    41   0.00000  1.0 1.0
   71    74    40    44   0.60050  1.0 1.0
   71    74    40    44   0.05600 -1.0 2.0
   71    74    40    44   0.26150  1.0 3.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    40   0.00000  1.0 1.0
   73    71    74    75   0.00000  1.0 1.0
   73    71    74    40   0.00000  1.0 1.0
   74    40    44    45  -0.11250  1.0 3.0
   74    40    44    46  -0.11250  1.0 3.0
   74    40    44    47  -0.11250  1.0 3.0
   75    74    40    33   0.30150 -1.0 2.0
   75    74    40    41   0.00000  1.0 1.0
   75    74    40    44   0.30150 -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    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    63    51   0.56750  1.0 1.0
   40    33    63    51  -0.07550 -1.0 2.0
   40    33    63    51   0.20000  1.0 3.0
   40    33   -63    64   0.56750  1.0 1.0
   40    33   -63    64  -0.07550 -1.0 2.0
   40    33   -63    64   0.20000  1.0 3.0
   40    33    63    67   0.56750  1.0 1.0
   40    33    63    67  -0.07550 -1.0 2.0
   40    33    63    67   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   67    63    64    65   0.15000  1.0 3.0
   67    63    64    66   0.15000  1.0 3.0
   67    63    64    71   0.56750  1.0 1.0
   67    63    64    71  -0.07550 -1.0 2.0
   67    63    64    71   0.20000  1.0 3.0
   54    48    51    52   0.23400  1.0 3.0
   54    48    51    53   0.23400  1.0 3.0
   54    48    51    63   0.86500  1.0 1.0
   54    48    51    63  -0.17500 -1.0 2.0
   54    48    51    63   0.20800  1.0 3.0
   50    42    48    49   0.15000  1.0 3.0
   50    42    48    51   0.34400  1.0 1.0
   50    42    48    51   0.09450 -1.0 2.0
   50    42    48    51   0.11100  1.0 3.0
   50    42    48    54   1.05650  1.0 1.0
   50    42    48    54   0.15600 -1.0 2.0
   50    42    48    54   0.53150  1.0 3.0
   56    50    59    60   0.00000  1.0 1.0
   56    50    59    61   0.00000  1.0 1.0
   56    50    59    62   0.00000  1.0 1.0
   59    50    56    57   7.00000 -1.0 2.0
   59    50    56    58   7.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   71    40    74    75  10.50000 -1.0 2.0
   42    59    50    56  15.00000 -1.0 2.0
   57    58    56    50  15.00000 -1.0 2.0
END
