* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    133    226     402
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02005   105.44684     0.62244
    3     1 S   H    _H1_     3     1.02127    47.36046   102.04062
    4     1 S   H    _H2_     4     1.02156    65.22857  -103.16258
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.84419    97.56269  -178.13680
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CO4  _C19    37     1.53047   106.62955    59.99567
   38    37 S   O    _O24    38     1.22950   122.94796   -91.69820
   39    33 S   CM   _C20    57     1.50264   107.00841   -58.00815
   40    37 S   CA   _C11    39     1.48711   117.87306    84.98599
   41    39 S   CO4  _C17    58     1.49647   115.95934   -34.39886
   42    41 S   O    _O22    59     1.22632   119.84581    -0.33455
   43    40 S   CA   _C9_    40     1.39771   121.24721     9.39635
   44    41 S   CA   _C10    60     1.47289   118.60000   179.59074
   45    43 S   CA   _C5_    41     1.40083   119.99816  -177.77059
   46    45 S   HA   _H33    42     1.08774   120.87213   178.77971
   47    43 S   CO4  _C18    51     1.47932   120.84567     3.29075
   48    47 S   O    _O23    52     1.22719   120.72991  -170.93185
   49    44 S   CA   _C8_    61     1.39226   120.50875     0.39860
   50    45 S   CA   _C13    43     1.39407   120.02272    -0.51282
   51    33 S   CT   _C22    53     1.53256   110.16481  -178.92262
   52    51 S   HC   _H36    54     1.08132   112.85380    53.26934
   53    49 S   CA   _C4_    62     1.40095   119.96325   179.95577
   54    53 S   HA   _H32    63     1.08669   120.95703   180.00000
   55    49 S   CO4  _C16    72     1.47003   120.39661    -0.01978
   56    55 S   O    _O21    73     1.22550   120.94097   179.82086
   57    50 S   CA   _C7_    44     1.39279   120.09545    -0.00000
   58    57 S   HA   _H35    45     1.08701   119.84090  -179.32016
   59    50 S   OH   _O26    49     1.36142   119.92943   179.79347
   60    59 S   HO   _H38    50     0.96999   110.34022    -0.03956
   61    51 S   OH   _O30    55     1.42732   110.28564   173.81138
   62    61 S   HO   _H42    56     0.97093   106.82253  -177.89401
   63    53 S   CA   _C12    64     1.39526   120.04279    -0.02798
   64    39 S   CM   _C21    74     1.34550   123.69148   145.80304
   65    40 S   CA   _C15    46     1.40066   119.06297  -169.09828
   66    63 S   CA   _C6_    65     1.39302   119.99560     0.00000
   67    66 S   HA   _H34    66     1.08763   119.86479  -180.00000
   68    63 S   OH   _O25    70     1.36081   119.97317  -179.98022
   69    68 S   HO   _H37    71     0.97078   110.30428    -0.04846
   70    64 S   OH   _O29    75     1.38286   121.26329     0.00000
   71    70 S   HO   _H41    76     0.96147   109.71523  -179.80416
   72    65 S   OH   _O28    47     1.36405   123.02524    -2.47291
   73    72 S   HO   _H40    48     0.96956   110.09800     0.57437
   74    44 S   CA   _C14    67     1.40130   119.64499  -179.73459
   75    74 S   OH   _O27    68     1.36368   122.80440     0.11535
   76    75 S   HO   _H39    69     0.96978   110.14806    -0.00000
  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  11   5   4   3
  18   2   1   1  14   5  15  12  11   4  12  12  10   4   7   3
  11   6   4   2  10   4   6   2   6   3   2   1   1   1   6   2
   2   6   3   2   1   1   1   1   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    51    52    61    39    41    64  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    65    47    48    51    52    61    62    39    41    42    44    55    64    70  
   35    36  
   36  
    0  
   38    40    43    45    57    65    72    47    51    52    61    39    41    64  
   40    43    65    51    39  
   41    42    44    49    74    55    56    64    70    71    40    47    51    52    61  
   43    45    46    50    57    58    65    72    73    47    48    51  
   42    44    49    53    66    74    75    55    64    70    51  
   44    49    74    64  
   45    46    50    57    65    72    59    47    48    51    52    61  
   49    53    54    63    66    67    74    75    76    55    56    64  
   46    50    57    58    65    59    60    47    48    51  
   50    57    59    47  
   48    51    52    61    62    50    65  
   51    52    61  
   53    54    63    66    74    75    68    55    56    64    70  
   57    58    65    72    59    60  
   52    61    62    64  
   61    62  
   54    63    66    67    74    68    69    55    56    64  
   63    66    68    55  
   56    64    70    71    63    74  
   64    70  
   58    65    72    73    59    60  
   65    72    59  
   60    65  
    0  
   62  
    0  
   66    67    74    75    68    69  
   70    71  
   72    73  
   67    74    75    76    68    69  
   74    75    68  
   69    74  
    0  
   71  
    0  
   73  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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   317.000  1.522
   33    51   268.000  1.529
   33    39   317.000  1.510
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    65   469.000  1.400
   43    45   469.000  1.400
   43    47   310.000  1.470
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    57   469.000  1.400
   50    59   450.000  1.364
   57    58   367.000  1.080
   57    65   469.000  1.400
   65    72   450.000  1.364
   72    73   553.000  0.945
   59    60   553.000  0.945
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    61   320.000  1.410
   61    62   553.000  0.945
   39    41   320.000  1.462
   39    64   549.000  1.340
   41    42   570.000  1.229
   41    44   310.000  1.470
   44    49   469.000  1.400
   44    74   469.000  1.400
   49    53   469.000  1.400
   49    55   310.000  1.470
   53    54   367.000  1.080
   53    63   469.000  1.400
   63    66   469.000  1.400
   63    68   450.000  1.364
   66    67   367.000  1.080
   66    74   469.000  1.400
   74    75   450.000  1.364
   75    76   553.000  0.945
   68    69   553.000  0.945
   55    56   570.000  1.229
   55    64   320.000  1.462
   64    70   510.000  1.338
   70    71   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  112.20000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    51    47    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    61    50.00000  109.50000
   33    39    41    65.00000  116.34900
   33    39    64    70.00000  124.00000
   37    40    43    60.00000  119.52600
   37    40    65    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    45    63.00000  120.00000
   40    43    47    60.00000  119.52600
   40    65    57    63.00000  120.00000
   40    65    72    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    50    63.00000  120.00000
   43    47    48    75.00000  123.78400
   43    47    51    65.00000  115.47100
   45    50    57    63.00000  120.00000
   45    50    59    70.00000  120.00000
   50    45    46    35.00000  120.00000
   50    57    58    35.00000  120.00000
   50    57    65    63.00000  120.00000
   50    59    60    35.00000  113.00000
   57    65    72    70.00000  120.00000
   65    40    43    63.00000  120.00000
   65    57    58    35.00000  120.00000
   65    72    73    35.00000  113.00000
   59    50    57    70.00000  120.00000
   47    43    45    60.00000  119.52600
   47    51    52    35.00000  109.50000
   47    51    61    90.00000  109.61100
   51    33    37    63.00000  111.10000
   51    47    48    80.00000  120.40000
   51    61    62    55.00000  108.50000
   61    51    52    35.00000  109.50000
   39    33    37    70.00000  109.06800
   39    33    51    70.00000  112.02700
   39    41    42    80.00000  123.72100
   39    41    44    65.00000  117.02400
   39    64    55    65.00000  118.96000
   39    64    70    80.00000  121.38400
   41    44    49    60.00000  119.52600
   41    44    74    60.00000  119.52600
   44    41    42    75.00000  123.78400
   44    49    53    63.00000  120.00000
   44    49    55    60.00000  119.52600
   44    74    66    63.00000  120.00000
   44    74    75    70.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    63    63.00000  120.00000
   49    55    56    75.00000  123.78400
   49    55    64    65.00000  117.02400
   53    63    66    63.00000  120.00000
   53    63    68    70.00000  120.00000
   63    53    54    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    74    63.00000  120.00000
   63    68    69    35.00000  113.00000
   66    74    75    70.00000  120.00000
   74    44    49    63.00000  120.00000
   74    66    67    35.00000  120.00000
   74    75    76    35.00000  113.00000
   68    63    66    70.00000  120.00000
   55    49    53    60.00000  119.52600
   55    64    70    85.00000  116.28000
   64    39    41    65.00000  118.96000
   64    55    56    80.00000  123.72100
   64    70    71    70.00000  107.45700
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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    51    47   0.56750  1.0 1.0
   29    33    51    47  -0.07550 -1.0 2.0
   29    33    51    47   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    61   0.56750  1.0 1.0
   29    33    51    61  -0.07550 -1.0 2.0
   29    33    51    61   0.20000  1.0 3.0
   29    33    39    41   0.09700  1.0 1.0
   29    33    39    41   0.15600 -1.0 2.0
   29    33    39    41  -0.50800  1.0 3.0
   29    33    39    64   0.42700  1.0 1.0
   29    33    39    64  -0.70350 -1.0 2.0
   29    33    39    64  -0.43150  1.0 3.0
   33    37    40    43   2.26350  1.0 1.0
   33    37    40    43   0.76750 -1.0 2.0
   33    37    40    43   0.22500  1.0 3.0
   33    37    40    65   2.26350  1.0 1.0
   33    37    40    65   0.76750 -1.0 2.0
   33    37    40    65   0.22500  1.0 3.0
   33    51    61    62  -0.11600  1.0 1.0
   33    51    61    62  -0.09450 -1.0 2.0
   33    51    61    62   0.21250  1.0 3.0
   33    39    41    42  -0.64400  1.0 1.0
   33    39    41    42   0.26850 -1.0 2.0
   33    39    41    44   1.50000 -1.0 2.0
   33    39    64    55   7.00000 -1.0 2.0
   33    39    64    70   7.00000 -1.0 2.0
   37    33    51    47   0.11950  1.0 1.0
   37    33    51    47   0.20300 -1.0 2.0
   37    33    51    47  -0.70800  1.0 3.0
   37    33    51    52  -0.11250  1.0 3.0
   37    33    51    61  -0.09450  1.0 1.0
   37    33    51    61  -1.12950 -1.0 2.0
   37    33    51    61   0.54000  1.0 3.0
   37    33    39    41   0.09700  1.0 1.0
   37    33    39    41   0.15600 -1.0 2.0
   37    33    39    41  -0.50800  1.0 3.0
   37    33    39    64  -0.51250  1.0 1.0
   37    33    39    64  -0.88800 -1.0 2.0
   37    33    39    64   0.08850  1.0 3.0
   37    40    43    45   3.62500 -1.0 2.0
   37    40   -43    47   3.62500 -1.0 2.0
   37    40    65    57   3.62500 -1.0 2.0
   37    40    65    72   3.62500 -1.0 2.0
   38    37    40    43   1.05000 -1.0 2.0
   38    37    40    65   1.05000 -1.0 2.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    50   3.62500 -1.0 2.0
   40    43    47    48   1.05000 -1.0 2.0
   40    43    47    51   2.26350  1.0 1.0
   40    43    47    51   0.76750 -1.0 2.0
   40    43    47    51   0.22500  1.0 3.0
   40    65    72    73   0.84100 -1.0 2.0
   43    40    65    57   3.62500 -1.0 2.0
   43    40    65    72   3.62500 -1.0 2.0
   43    45   -50    57   3.62500 -1.0 2.0
   43    45    50    59   3.62500 -1.0 2.0
   43    47   -51    33   0.05850 -1.0 2.0
   43    47   -51    33   0.17250  1.0 3.0
   43    47    51    52   0.00000  1.0 1.0
   43    47    51    61   0.65300  1.0 1.0
   43    47    51    61  -0.03850 -1.0 2.0
   43    47    51    61   0.33900  1.0 3.0
   45    43    47    48   1.05000 -1.0 2.0
   45    43    47    51   2.26350  1.0 1.0
   45    43    47    51   0.76750 -1.0 2.0
   45    43    47    51   0.22500  1.0 3.0
   45    50    57    58   3.62500 -1.0 2.0
   45    50    57    65   3.62500 -1.0 2.0
   45    50    59    60   0.84100 -1.0 2.0
   46    45    50    57   3.62500 -1.0 2.0
   46    45    50    59   3.62500 -1.0 2.0
   50    57   -65    40   3.62500 -1.0 2.0
   50    57    65    72   3.62500 -1.0 2.0
   57    50    59    60   0.84100 -1.0 2.0
   57    65    72    73   0.84100 -1.0 2.0
   58    57    65    40   3.62500 -1.0 2.0
   58    57    65    72   3.62500 -1.0 2.0
   65    40   -43    45   3.62500 -1.0 2.0
   65    40    43    47   3.62500 -1.0 2.0
   59    50    57    58   3.62500 -1.0 2.0
   59    50    57    65   3.62500 -1.0 2.0
   47    43    45    46   3.62500 -1.0 2.0
   47    43    45    50   3.62500 -1.0 2.0
   47    51    61    62   0.91850  1.0 1.0
   47    51    61    62   0.57950  1.0 3.0
   48    47    51    33   0.30150 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    61   0.30150 -1.0 2.0
   51    33    37    38   0.30150 -1.0 2.0
   51    33   -37    40   0.05850 -1.0 2.0
   51    33   -37    40   0.17250  1.0 3.0
   51    33    39    41   0.09700  1.0 1.0
   51    33    39    41   0.15600 -1.0 2.0
   51    33    39    41  -0.50800  1.0 3.0
   51    33    39    64   0.09850  1.0 1.0
   51    33    39    64   0.15250 -1.0 2.0
   51    33    39    64  -0.50650  1.0 3.0
   52    51    61    62   0.19450  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    51    47  -0.98800  1.0 1.0
   39    33    51    47   0.48800 -1.0 2.0
   39    33    51    47   0.76800  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33    51    61   1.05650  1.0 1.0
   39    33    51    61   0.15600 -1.0 2.0
   39    33    51    61   0.53150  1.0 3.0
   39    41    44    49  -0.11500  1.0 1.0
   39    41    44    49   1.10450 -1.0 2.0
   39    41    44    49  -0.48050  1.0 3.0
   39    41    44    74  -0.11500  1.0 1.0
   39    41    44    74   1.10450 -1.0 2.0
   39    41    44    74  -0.48050  1.0 3.0
   39    64    70    71  -0.66100  1.0 1.0
   39    64    70    71   1.20850 -1.0 2.0
   39    64    70    71  -0.36000  1.0 3.0
   41    39    64    55   7.00000 -1.0 2.0
   41    39    64    70   7.00000 -1.0 2.0
   41    44    49    53   3.62500 -1.0 2.0
   41    44   -49    55   3.62500 -1.0 2.0
   41    44    74    66   3.62500 -1.0 2.0
   41    44    74    75   3.62500 -1.0 2.0
   42    41    44    49   1.05000 -1.0 2.0
   42    41    44    74   1.05000 -1.0 2.0
   44    49    53    54   3.62500 -1.0 2.0
   44    49    53    63   3.62500 -1.0 2.0
   44    49    55    56   1.05000 -1.0 2.0
   44    49    55    64  -0.11500  1.0 1.0
   44    49    55    64   1.10450 -1.0 2.0
   44    49    55    64  -0.48050  1.0 3.0
   44    74    75    76   0.84100 -1.0 2.0
   49    44    74    66   3.62500 -1.0 2.0
   49    44    74    75   3.62500 -1.0 2.0
   49    53   -63    66   3.62500 -1.0 2.0
   49    53    63    68   3.62500 -1.0 2.0
   49    55   -64    39  -1.65800  1.0 1.0
   49    55   -64    39   0.77650 -1.0 2.0
   49    55    64    70   1.50000 -1.0 2.0
   53    49    55    56   1.05000 -1.0 2.0
   53    49    55    64  -0.11500  1.0 1.0
   53    49    55    64   1.10450 -1.0 2.0
   53    49    55    64  -0.48050  1.0 3.0
   53    63    66    67   3.62500 -1.0 2.0
   53    63    66    74   3.62500 -1.0 2.0
   53    63    68    69   0.84100 -1.0 2.0
   54    53    63    66   3.62500 -1.0 2.0
   54    53    63    68   3.62500 -1.0 2.0
   63    66   -74    44   3.62500 -1.0 2.0
   63    66    74    75   3.62500 -1.0 2.0
   66    63    68    69   0.84100 -1.0 2.0
   66    74    75    76   0.84100 -1.0 2.0
   67    66    74    44   3.62500 -1.0 2.0
   67    66    74    75   3.62500 -1.0 2.0
   74    44   -49    53   3.62500 -1.0 2.0
   74    44    49    55   3.62500 -1.0 2.0
   68    63    66    67   3.62500 -1.0 2.0
   68    63    66    74   3.62500 -1.0 2.0
   55    49    53    54   3.62500 -1.0 2.0
   55    49    53    63   3.62500 -1.0 2.0
   55    64    70    71   2.00000 -1.0 2.0
   56    55    64    39   1.00000 -1.0 2.0
   56    55    64    70  -0.11900  1.0 1.0
   56    55    64    70   0.76850 -1.0 2.0
   56    55    64    70   0.14100  1.0 3.0
   64    39    41    42   1.00000 -1.0 2.0
   64    39   -41    44  -1.65800  1.0 1.0
   64    39   -41    44   0.77650 -1.0 2.0
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
   33    40    37    38  10.50000 -1.0 2.0
   43    65    40    37   4.00000 -1.0 2.0
   45    47    43    40   4.00000 -1.0 2.0
   50    46    45    43   1.10000 -1.0 2.0
   57    59    50    45   4.00000 -1.0 2.0
   65    58    57    50   1.10000 -1.0 2.0
   57    72    65    40   4.00000 -1.0 2.0
   43    51    47    48  10.50000 -1.0 2.0
   33    41    39    64   1.10000 -1.0 2.0
   39    44    41    42  10.50000 -1.0 2.0
   49    74    44    41   4.00000 -1.0 2.0
   53    55    49    44   4.00000 -1.0 2.0
   63    54    53    49   1.10000 -1.0 2.0
   66    68    63    53   4.00000 -1.0 2.0
   74    67    66    63   1.10000 -1.0 2.0
   66    75    74    44   4.00000 -1.0 2.0
   49    64    55    56  10.50000 -1.0 2.0
   55    70    64    39   1.10000 -1.0 2.0
END
