* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    131    222     394
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02079    89.56437   -69.87605
    3     1 S   H    _H1_     3     1.02097    91.05780    38.82228
    4     1 S   H    _H2_     4     1.02130    32.89097   163.13297
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C11    36     1.83485    97.76150  -178.16645
   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   CO4  _C10    37     1.52341   106.85921    59.97322
   38    37 S   O    _O33    38     1.22761   122.60535   -94.34559
   39    33 S   CT   _C12    49     1.53267   114.41033  -177.64034
   40    39 S   HC   _H3_    50     1.09443   108.82635   174.96693
   41    33 S   OH   _O40    73     1.42602   110.39464   -55.07811
   42    41 S   HO   _H9_    74     0.97009   106.55293    55.48103
   43    37 S   CA   _C9_    39     1.48308   117.51263    83.85867
   44    39 S   CM   _C14    51     1.50129   113.31005    57.72278
   45    43 S   CA   _C4_    40     1.40097   119.11214  -165.28297
   46    45 S   HA   _H4_    41     1.08701   120.95998    -0.92704
   47    44 S   CO4  _C23    52     1.49274   113.57072    89.01804
   48    47 S   O    _O36    53     1.22676   120.26925    -0.10653
   49    45 S   CA   _C5_    42     1.39443   120.01032   178.32299
   50    47 S   CA   _C22    54     1.46576   118.28428   179.84174
   51    49 S   CA   _C6_    43     1.39331   120.13522     0.01978
   52    51 S   HA   _H5_    44     1.08742   119.85223  -179.97202
   53    50 S   CA   _C17    55     1.38789   120.08686     0.23573
   54    49 S   OH   _O42    71     1.36149   119.93702  -179.76761
   55    54 S   HO   _H11    72     0.97013   110.25587     0.00000
   56    51 S   CA   _C7_    45     1.39486   120.06753     0.32865
   57    53 S   CA   _C18    56     1.40197   119.60215   179.95577
   58    57 S   HA   _H6_    57     1.08941   119.91885   180.00000
   59    53 S   CO4  _C16    65     1.47426   120.80567    -0.01978
   60    59 S   O    _O35    66     1.22989   118.52643   179.83687
   61    43 S   CA   _C8_    46     1.39813   120.97263    13.62591
   62    57 S   CA   _C19    58     1.39549   120.24988    -0.02798
   63    62 S   OM   _O38    59     1.28091   120.03133   179.97202
   64    44 S   CMA  _C15    67     1.35320   122.73628   -90.88840
   65    64 S   OM   _O39    68     1.26481   129.58036    -0.14265
   66    56 S   OH   _O41    69     1.36383   116.98187   179.16000
   67    66 S   HO   _H10    70     0.96994   110.16567   179.94065
   68    61 S   CO4  _C13    47     1.48372   120.98178     3.07415
   69    68 S   O    _O34    48     1.22689   119.66824  -173.82413
   70    62 S   CA   _C20    60     1.39254   119.98167     0.03956
   71    70 S   HA   _H7_    61     1.08930   121.04717   180.00000
   72    50 S   CA   _C21    62     1.40138   119.74565  -179.82754
   73    72 S   OH   _O37    63     1.36470   122.81232     0.03956
   74    73 S   HO   _H8_    64     0.97005   110.10308     0.02798
  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  10   5   4   3
  14   2   1   1  13   5  15   7   4   1  10  12   9   4  11   4
   7  12   8   4  11   2   1   5   9   4   5   2   4   5   3   2
   1   2   1   1   1   4   2   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    68    39    40    44    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    45    61    68    69    39    40    44    47    64    41    42  
   35    36  
   36  
    0  
   38    43    45    46    49    56    61    68    39    40    44    41    42  
   43    45    61    39    41  
   40    44    47    48    50    59    64    65    41    42    43    56    61    68    69  
   44    47    64    41    61    68    69  
   42    43    44    68  
    0  
   45    46    49    51    56    61    68    69    66    54  
   47    48    50    53    72    59    60    64    65    61    68    69  
   46    49    51    52    56    61    68    54    55  
   49    51    61    54  
   48    50    53    57    70    72    73    59    64    65    68  
   50    53    72    64  
   51    52    56    61    66    54    55  
   53    57    58    62    70    71    72    73    74    59    60    64  
   52    56    61    68    66    67    54    55  
   56    61    66    54  
   57    58    62    63    70    72    73    59    60    64    65  
   55    56  
    0  
   61    68    69    66    67  
   58    62    63    70    71    72    59    60    64  
   62    63    70    59  
   60    64    65    62    72  
   64    65  
   68    69    66    67  
   63    70    71    72    73  
   70    71    72  
   65    68  
    0  
   67    68  
    0  
   69  
    0  
   71    72    73    74  
   72    73  
   73    74  
   74  
    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   0.432500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   64   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   65   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   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    39   268.000  1.529
   33    41   320.000  1.410
   37    38   570.000  1.229
   37    43   310.000  1.470
   43    45   469.000  1.400
   43    61   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    51   469.000  1.400
   49    54   450.000  1.364
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    61   469.000  1.400
   56    66   450.000  1.364
   61    68   310.000  1.470
   68    69   570.000  1.229
   68    39   317.000  1.522
   39    40   340.000  1.090
   39    44   317.000  1.510
   44    47   320.000  1.462
   44    64   465.000  1.376
   47    48   570.000  1.229
   47    50   310.000  1.470
   50    53   469.000  1.400
   50    72   469.000  1.400
   53    57   469.000  1.400
   53    59   310.000  1.470
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   450.000  1.364
   62    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   450.000  1.364
   73    74   553.000  0.945
   59    60   570.000  1.229
   59    64   270.000  1.476
   64    65   745.000  1.250
   66    67   553.000  0.945
   54    55   553.000  0.945
   41    42   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    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.47100
   33    39    68    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    44    70.00000  112.02700
   33    41    42    55.00000  108.50000
   37    43    45    60.00000  119.52600
   37    43    61    60.00000  119.52600
   43    37    38    75.00000  123.78400
   43    45    46    35.00000  120.00000
   43    45    49    63.00000  120.00000
   43    61    56    63.00000  120.00000
   43    61    68    60.00000  119.52600
   45    49    51    63.00000  120.00000
   45    49    54    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    56    63.00000  120.00000
   49    54    55    35.00000  113.00000
   51    56    61    63.00000  120.00000
   51    56    66    70.00000  120.00000
   56    51    52    35.00000  120.00000
   56    61    68    60.00000  119.52600
   56    66    67    35.00000  113.00000
   61    43    45    63.00000  120.00000
   61    68    69    75.00000  123.78400
   61    68    39    65.00000  115.47100
   68    39    40    35.00000  109.50000
   68    39    44    70.00000  109.06800
   39    33    37    63.00000  111.10000
   39    68    69    80.00000  120.40000
   39    44    47    65.00000  116.34900
   39    44    64    70.00000  124.00000
   44    39    40    35.00000  109.50000
   44    47    48    80.00000  123.72100
   44    47    50    65.00000  117.02400
   44    64    59    65.00000  114.61000
   44    64    65    65.00000  137.10300
   47    50    53    60.00000  119.52600
   47    50    72    60.00000  119.52600
   50    47    48    75.00000  123.78400
   50    53    57    63.00000  120.00000
   50    53    59    60.00000  119.52600
   50    72    70    63.00000  120.00000
   50    72    73    70.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    62    63.00000  120.00000
   53    59    60    75.00000  123.78400
   53    59    64    60.00000  117.44000
   57    62    63    70.00000  120.00000
   57    62    70    63.00000  120.00000
   62    57    58    35.00000  120.00000
   62    70    71    35.00000  120.00000
   62    70    72    63.00000  120.00000
   70    62    63    70.00000  120.00000
   70    72    73    70.00000  120.00000
   72    50    53    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  113.00000
   59    53    57    60.00000  119.52600
   59    64    65    85.00000  116.28000
   64    44    47    60.00000  125.92000
   64    59    60    80.00000  120.81000
   66    56    61    70.00000  120.00000
   54    49    51    70.00000  120.00000
   41    33    37    90.00000  109.61100
   41    33    39    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    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
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    68   0.56750  1.0 1.0
   29    33    39    68  -0.07550 -1.0 2.0
   29    33    39    68   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    37    43    45   2.26350  1.0 1.0
   33    37    43    45   0.76750 -1.0 2.0
   33    37    43    45   0.22500  1.0 3.0
   33    37    43    61   2.26350  1.0 1.0
   33    37    43    61   0.76750 -1.0 2.0
   33    37    43    61   0.22500  1.0 3.0
   33    39    44    47   0.09700  1.0 1.0
   33    39    44    47   0.15600 -1.0 2.0
   33    39    44    47  -0.50800  1.0 3.0
   33    39    44    64   0.09850  1.0 1.0
   33    39    44    64   0.15250 -1.0 2.0
   33    39    44    64  -0.50650  1.0 3.0
   37    33    39    68   0.11950  1.0 1.0
   37    33    39    68   0.20300 -1.0 2.0
   37    33    39    68  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    44  -0.98800  1.0 1.0
   37    33    39    44   0.48800 -1.0 2.0
   37    33    39    44   0.76800  1.0 3.0
   37    33    41    42   0.91850  1.0 1.0
   37    33    41    42   0.57950  1.0 3.0
   37    43    45    46   3.62500 -1.0 2.0
   37    43    45    49   3.62500 -1.0 2.0
   37    43    61    56   3.62500 -1.0 2.0
   37    43   -61    68   3.62500 -1.0 2.0
   38    37    43    45   1.05000 -1.0 2.0
   38    37    43    61   1.05000 -1.0 2.0
   43    45    49    51   3.62500 -1.0 2.0
   43    45    49    54   3.62500 -1.0 2.0
   43    61    68    69   1.05000 -1.0 2.0
   43    61    68    39   2.26350  1.0 1.0
   43    61    68    39   0.76750 -1.0 2.0
   43    61    68    39   0.22500  1.0 3.0
   45    43    61    56   3.62500 -1.0 2.0
   45    43    61    68   3.62500 -1.0 2.0
   45    49    51    52   3.62500 -1.0 2.0
   45    49   -51    56   3.62500 -1.0 2.0
   45    49    54    55   0.84100 -1.0 2.0
   46    45    49    51   3.62500 -1.0 2.0
   46    45    49    54   3.62500 -1.0 2.0
   49    51    56    61   3.62500 -1.0 2.0
   49    51    56    66   3.62500 -1.0 2.0
   51    49    54    55   0.84100 -1.0 2.0
   51    56   -61    43   3.62500 -1.0 2.0
   51    56    61    68   3.62500 -1.0 2.0
   51    56    66    67   0.84100 -1.0 2.0
   52    51    56    61   3.62500 -1.0 2.0
   52    51    56    66   3.62500 -1.0 2.0
   56    61    68    69   1.05000 -1.0 2.0
   56    61    68    39   2.26350  1.0 1.0
   56    61    68    39   0.76750 -1.0 2.0
   56    61    68    39   0.22500  1.0 3.0
   61    43    45    46   3.62500 -1.0 2.0
   61    43   -45    49   3.62500 -1.0 2.0
   61    56    66    67   0.84100 -1.0 2.0
   61    68   -39    33   0.05850 -1.0 2.0
   61    68   -39    33   0.17250  1.0 3.0
   61    68    39    40   0.00000  1.0 1.0
   61    68    39    44   0.65300  1.0 1.0
   61    68    39    44  -0.03850 -1.0 2.0
   61    68    39    44   0.33900  1.0 3.0
   68    39    44    47   0.09700  1.0 1.0
   68    39    44    47   0.15600 -1.0 2.0
   68    39    44    47  -0.50800  1.0 3.0
   68    39    44    64  -0.51250  1.0 1.0
   68    39    44    64  -0.88800 -1.0 2.0
   68    39    44    64   0.08850  1.0 3.0
   69    68    39    33   0.30150 -1.0 2.0
   69    68    39    40   0.00000  1.0 1.0
   69    68    39    44   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.05850 -1.0 2.0
   39    33   -37    43   0.17250  1.0 3.0
   39    33    41    42  -0.11600  1.0 1.0
   39    33    41    42  -0.09450 -1.0 2.0
   39    33    41    42   0.21250  1.0 3.0
   39    44    47    48  -0.64400  1.0 1.0
   39    44    47    48   0.26850 -1.0 2.0
   39    44    47    50   1.50000 -1.0 2.0
   39    44    64    59   7.00000 -1.0 2.0
   39    44    64    65   7.00000 -1.0 2.0
   40    39    44    47   0.15000  1.0 3.0
   40    39    44    64   0.00000  1.0 1.0
   44    47    50    53  -0.11500  1.0 1.0
   44    47    50    53   1.10450 -1.0 2.0
   44    47    50    53  -0.48050  1.0 3.0
   44    47    50    72  -0.11500  1.0 1.0
   44    47    50    72   1.10450 -1.0 2.0
   44    47    50    72  -0.48050  1.0 3.0
   47    44    64    59   7.00000 -1.0 2.0
   47    44    64    65   7.00000 -1.0 2.0
   47    50    53    57   3.62500 -1.0 2.0
   47    50   -53    59   3.62500 -1.0 2.0
   47    50    72    70   3.62500 -1.0 2.0
   47    50    72    73   3.62500 -1.0 2.0
   48    47    50    53   1.05000 -1.0 2.0
   48    47    50    72   1.05000 -1.0 2.0
   50    53    57    58   3.62500 -1.0 2.0
   50    53    57    62   3.62500 -1.0 2.0
   50    53    59    60   1.05000 -1.0 2.0
   50    53    59    64  -0.11500  1.0 1.0
   50    53    59    64   1.10450 -1.0 2.0
   50    53    59    64  -0.48050  1.0 3.0
   50    72    73    74   0.84100 -1.0 2.0
   53    50    72    70   3.62500 -1.0 2.0
   53    50    72    73   3.62500 -1.0 2.0
   53    57    62    63   3.62500 -1.0 2.0
   53    57   -62    70   3.62500 -1.0 2.0
   53    59   -64    44  -1.65800  1.0 1.0
   53    59   -64    44   0.77650 -1.0 2.0
   53    59    64    65   1.50000 -1.0 2.0
   57    53    59    60   1.05000 -1.0 2.0
   57    53    59    64  -0.11500  1.0 1.0
   57    53    59    64   1.10450 -1.0 2.0
   57    53    59    64  -0.48050  1.0 3.0
   57    62    70    71   3.62500 -1.0 2.0
   57    62    70    72   3.62500 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    70   3.62500 -1.0 2.0
   62    70   -72    50   3.62500 -1.0 2.0
   62    70    72    73   3.62500 -1.0 2.0
   63    62    70    71   3.62500 -1.0 2.0
   63    62    70    72   3.62500 -1.0 2.0
   70    72    73    74   0.84100 -1.0 2.0
   71    70    72    50   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   72    50   -53    57   3.62500 -1.0 2.0
   72    50    53    59   3.62500 -1.0 2.0
   59    53    57    58   3.62500 -1.0 2.0
   59    53    57    62   3.62500 -1.0 2.0
   60    59    64    44   1.00000 -1.0 2.0
   60    59    64    65  -0.11900  1.0 1.0
   60    59    64    65   0.76850 -1.0 2.0
   60    59    64    65   0.14100  1.0 3.0
   64    44    47    48   1.00000 -1.0 2.0
   64    44   -47    50  -1.65800  1.0 1.0
   64    44   -47    50   0.77650 -1.0 2.0
   66    56    61    43   3.62500 -1.0 2.0
   66    56    61    68   3.62500 -1.0 2.0
   54    49    51    52   3.62500 -1.0 2.0
   54    49    51    56   3.62500 -1.0 2.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.65300  1.0 1.0
   41    33    37    43  -0.03850 -1.0 2.0
   41    33    37    43   0.33900  1.0 3.0
   41    33    39    68  -0.09450  1.0 1.0
   41    33    39    68  -1.12950 -1.0 2.0
   41    33    39    68   0.54000  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    44   1.05650  1.0 1.0
   41    33    39    44   0.15600 -1.0 2.0
   41    33    39    44   0.53150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   45    61    43    37   4.00000 -1.0 2.0
   49    46    45    43   1.10000 -1.0 2.0
   51    54    49    45   4.00000 -1.0 2.0
   56    52    51    49   1.10000 -1.0 2.0
   61    66    56    51   4.00000 -1.0 2.0
   56    68    61    43   4.00000 -1.0 2.0
   61    39    68    69  10.50000 -1.0 2.0
   39    47    44    64   1.10000 -1.0 2.0
   44    50    47    48  10.50000 -1.0 2.0
   53    72    50    47   4.00000 -1.0 2.0
   57    59    53    50   4.00000 -1.0 2.0
   62    58    57    53   1.10000 -1.0 2.0
   70    63    62    57   4.00000 -1.0 2.0
   72    71    70    62   1.10000 -1.0 2.0
   70    73    72    50   4.00000 -1.0 2.0
   53    64    59    60  10.50000 -1.0 2.0
   59    65    64    44   1.10000 -1.0 2.0
END
