* LIGAND DATABASE FILE (OPLS2005)
*
001     103   104    188    280     549
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02041    55.15979    88.66154
    3     1 S   H    _H1_     3     1.02155    56.98082  -114.70278
    4     1 S   H    _H2_     4     1.02101   106.63342   -12.90034
    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   _C20    36     1.84524    97.45960  -178.16869
   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   CM   _C21    37     1.51426   112.63671  -160.03491
   38    33 S   OH   _O39   102     1.43191   108.69158   -41.83462
   39    38 S   HO   _H29   103     0.96774   106.18624   178.23287
   40    37 S   CMA  _C22    38     1.36095   124.96431  -146.40564
   41    40 S   OM   _O37    39     1.26871   129.44206   178.19658
   42    37 S   CO4  _C23    87     1.48530   118.48979    37.28250
   43    42 S   O    _O38    88     1.22477   119.32574   -92.00072
   44    40 S   CT   _C17    40     1.56395   119.73652    -5.71536
   45    42 S   CT   _C24    89     1.51971   116.81081    86.61322
   46    45 S   HC   _H3_    90     1.09661   109.24100     0.02798
   47    44 S   CO4  _C18    41     1.54416   113.14290     6.57065
   48    47 S   O    _O36    42     1.23412   121.72478  -160.48749
   49    44 S   CT   _C29    49     1.54913   112.88851   126.83794
   50    49 S   HC   _H33    50     1.08120   108.58524  -180.00000
   51    49 S   HC   _H34    51     1.08042   108.61470    60.06576
   52    49 S   HC   _H35    52     1.08033   108.63208   -60.05973
   53    44 S   CT   _C16    53     1.55421   110.10641  -111.40935
   54    53 S   HC   _H18    54     1.08809   108.42272   178.14122
   55    53 S   HC   _H19    55     1.08830   108.44274    61.94764
   56    45 S   CT   _C25    91     1.52771   108.37400  -118.34562
   57    56 S   HC   _H21    92     1.09555   111.02943   -61.39774
   58    56 S   HC   _H22    93     1.09464   110.88869    58.50034
   59    56 S   HC   _H23    94     1.09604   111.27574   178.98163
   60    45 S   CT   _C26    95     1.53712   111.40107   119.80734
   61    60 S   HC   _H24    96     1.09632   110.62111   -57.92939
   62    60 S   HC   _H25    97     1.09704   109.37024    59.43337
   63    33 S   CT   _C19    43     1.54285   108.04406    75.42881
   64    63 S   HC   _H20    44     1.08806   110.03096   -68.98245
   65    53 S   CA   _C10    56     1.49733   110.90695   -59.97920
   66    60 S   CT   _C27    98     1.52269   112.54800   179.76593
   67    66 S   HC   _H26    99     1.09403   111.59807   -56.84599
   68    66 S   HC   _H27   100     1.09433   110.13346    62.84562
   69    66 S   HC   _H28   101     1.09544   110.90890  -177.71895
   70    63 S   CT   _C28    45     1.53314   117.12672    51.64990
   71    70 S   HC   _H30    46     1.08747   109.52501    57.12609
   72    70 S   HC   _H31    47     1.08661   109.58465   -62.89215
   73    70 S   HC   _H32    48     1.08708   109.55031   177.05443
   74    65 S   CA   _C9_    57     1.39474   120.03201   -75.53662
   75    74 S   CA   _C8_    58     1.39506   119.99866   179.98022
   76    74 S   OH   _O40    85     1.36465   119.83575     0.02798
   77    76 S   HO   _H36    86     0.96965   110.08883   180.00000
   78    75 S   CA   _C13    59     1.39450   119.99034     0.03426
   79    75 S   CO4  _C7_    73     1.45905   119.99225  -179.96044
   80    79 S   O    _O33    74     1.23998   122.76939    59.90524
   81    78 S   CA   _C12    60     1.39474   120.01107    -0.03956
   82    78 S   OS   _O34    68     1.36526   120.12485  -179.96044
   83    79 S   CT   _C6_    75     1.53452   118.42372  -119.96608
   84    83 S   HC   _H9_    76     1.09581   108.20501    29.95159
   85    83 S   HC   _H10    77     1.09662   108.13961   -88.19870
   86    65 S   CA   _C11    61     1.39493   119.97856   104.44059
   87    81 S   CT   _C15    64     1.49570   120.01365  -179.96044
   88    87 S   HC   _H14    65     1.09573   110.15717    89.99654
   89    87 S   HC   _H15    66     1.09529   111.09414  -149.45649
   90    87 S   HC   _H16    67     1.09699   111.04223   -30.47746
   91    82 S   CT   _C14    69     1.42441   116.94713    89.99058
   92    91 S   HC   _H11    70     1.09292   109.54276   179.98022
   93    91 S   HC   _H12    71     1.09267   109.53546    59.20452
   94    91 S   HC   _H13    72     1.09257   108.99730   -60.43428
   95    83 S   CT   _C5_    78     1.52866   113.13948   150.94119
   96    95 S   HC   _H7_    79     1.09656   109.94876    59.95134
   97    95 S   HC   _H8_    80     1.09674   109.93149   -57.45556
   98    86 S   OH   _O35    62     1.36491   119.99374     0.03426
   99    98 S   HO   _H17    63     0.96938   110.07331    -0.06853
  100    95 S   CT   _C4_    81     1.52062   111.49305  -178.75542
  101   100 S   HC   _H4_    82     1.09527   110.96362    58.28903
  102   100 S   HC   _H5_    83     1.09407   110.26537   -61.42864
  103   100 S   HC   _H6_    84     1.09464   110.98318   178.80728
  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
  17   2   1   1  17   7   1  16   5  13   4  15  12   8  15   5
   8   3   2   1  10   4   3   7   3   2   1   6   5   4   5   4
  11   3   2   1   1   3   2   1   1  11  14   4   1  15  10   4
   9   6   9   5   4   6   4   2   1   1   3   2   1   1   6   5
   4   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    63    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    63    64    70    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    47    48    63    64    70    71    72    73    42    43    45    38    39  
   35    36  
   36  
    0  
   40    41    44    47    63    64    70    49    53    42    43    45    46    56    60    38    39  
   39    40    42    47    63    64    70  
   63  
   41    44    47    48    63    49    50    51    52    53    54    55    65    42    43    45  
   44    47    49    53    42  
   43    45    46    56    57    58    59    60    61    62    66    44    63  
   45    46    56    60  
   47    48    63    64    70    49    50    51    52    53    54    55    65    74    86  
   46    56    57    58    59    60    61    62    66    67    68    69  
   56    57    58    59    60    61    62    66  
   48    63    64    70    71    72    73    49    50    51    52    53    54    55    65  
   63    64    70    49    53  
   50    51    52    53    54    55    65    63  
   51    52    53  
   52    53  
   53  
   54    55    65    74    75    81    86    98    76    63  
   55    65    74    86  
   65    74    86  
   57    58    59    60    61    62    66  
   58    59    60  
   59    60  
   60  
   61    62    66    67    68    69  
   62    66    67    68    69  
   66    67    68    69  
   64    70    71    72    73  
   70    71    72    73  
   74    75    78    81    86    98    99    87    79    76    77  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73  
   72    73  
   73  
    0  
   75    78    81    86    98    82    79    80    83    76    77  
   78    81    86    87    82    91    79    80    83    84    85    95    76    77  
   77    78    79    86  
    0  
   81    86    98    87    88    89    90    82    91    92    93    94    79    80    83  
   80    83    84    85    95    96    97   100    81    82  
   83    84    85    95  
   86    98    99    87    88    89    90    82    91  
   91    92    93    94    86    87  
   84    85    95    96    97   100   101   102   103  
   85    95    96    97   100  
   95    96    97   100  
   98    99    87    88    89    90  
   88    89    90    98  
   89    90  
   90  
    0  
   92    93    94  
   93    94  
   94  
    0  
   96    97   100   101   102   103  
   97   100   101   102   103  
  100   101   102   103  
   99  
    0  
  101   102   103  
  102   103  
  103  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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  1.510
   33    63   268.000  1.529
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   320.000  1.462
   40    41   745.000  1.250
   40    44   270.000  1.512
   44    47   317.000  1.522
   44    49   268.000  1.529
   44    53   268.000  1.529
   47    48   570.000  1.229
   47    63   317.000  1.522
   63    64   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    65   317.000  1.510
   65    74   469.000  1.400
   65    86   469.000  1.400
   74    75   469.000  1.400
   74    76   450.000  1.364
   75    78   469.000  1.400
   75    79   310.000  1.470
   78    81   469.000  1.400
   78    82   450.000  1.364
   81    86   469.000  1.400
   81    87   317.000  1.510
   86    98   450.000  1.364
   98    99   553.000  0.945
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   82    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   79    80   570.000  1.229
   79    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   76    77   553.000  0.945
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    46   340.000  1.090
   45    56   268.000  1.529
   45    60   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   38    39   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  112.20000
   29    33    63    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  116.34900
   33    63    47    63.00000  111.10000
   33    63    64    37.50000  110.70000
   33    63    70    58.35000  112.70000
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    44    65.00000  122.18000
   37    42    43    80.00000  123.72100
   37    42    45    65.00000  118.62400
   40    44    47    70.00000  109.06800
   40    44    49    70.00000  112.02700
   40    44    53    70.00000  112.02700
   44    40    41    85.00000  112.85300
   44    47    48    80.00000  120.40000
   44    47    63    70.00000  116.00000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    37.50000  110.70000
   44    53    54    37.50000  110.70000
   44    53    55    37.50000  110.70000
   44    53    65    70.00000  112.17500
   47    63    64    35.00000  109.50000
   47    63    70    63.00000  111.10000
   63    33    37    70.00000  112.02700
   63    47    48    80.00000  120.40000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    37.50000  110.70000
   70    63    64    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   49    44    47    63.00000  111.10000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    44    47    63.00000  111.10000
   53    44    49    58.35000  112.70000
   53    65    74    70.00000  120.00000
   53    65    86    70.00000  120.00000
   55    53    54    33.00000  107.80000
   65    53    54    35.00000  109.50000
   65    53    55    35.00000  109.50000
   65    74    75    63.00000  120.00000
   65    74    76    70.00000  120.00000
   65    86    81    63.00000  120.00000
   65    86    98    70.00000  120.00000
   74    75    78    63.00000  120.00000
   74    75    79    60.00000  119.52600
   74    76    77    35.00000  113.00000
   75    78    81    63.00000  120.00000
   75    78    82    70.00000  120.00000
   75    79    80    75.00000  123.78400
   75    79    83    65.00000  115.47100
   78    81    86    63.00000  120.00000
   78    81    87    70.00000  120.00000
   78    82    91    75.00000  111.00000
   81    86    98    70.00000  120.00000
   81    87    88    35.00000  109.50000
   81    87    89    35.00000  109.50000
   81    87    90    35.00000  109.50000
   86    65    74    63.00000  120.00000
   86    98    99    35.00000  113.00000
   87    81    86    70.00000  120.00000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   82    78    81    70.00000  120.00000
   82    91    92    35.00000  109.50000
   82    91    93    35.00000  109.50000
   82    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   79    75    78    60.00000  119.52600
   79    83    84    35.00000  109.50000
   79    83    85    35.00000  109.50000
   79    83    95    63.00000  111.10000
   83    79    80    80.00000  120.40000
   83    95    96    37.50000  110.70000
   83    95    97    37.50000  110.70000
   83    95   100    58.35000  112.70000
   85    83    84    33.00000  107.80000
   95    83    84    37.50000  110.70000
   95    83    85    37.50000  110.70000
   95   100   101    37.50000  110.70000
   95   100   102    37.50000  110.70000
   95   100   103    37.50000  110.70000
   97    95    96    33.00000  107.80000
  100    95    96    37.50000  110.70000
  100    95    97    37.50000  110.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   76    74    75    70.00000  120.00000
   42    37    40    60.00000  125.92000
   42    45    46    35.00000  109.50000
   42    45    56    63.00000  111.10000
   42    45    60    63.00000  111.10000
   45    42    43    80.00000  120.40000
   45    56    57    37.50000  110.70000
   45    56    58    37.50000  110.70000
   45    56    59    37.50000  110.70000
   45    60    61    37.50000  110.70000
   45    60    62    37.50000  110.70000
   45    60    66    58.35000  112.70000
   56    45    46    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    45    46    37.50000  110.70000
   60    45    56    58.35000  112.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    69    37.50000  110.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   38    33    37    90.00000  110.39200
   38    33    63    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   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    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    63    47   0.56750  1.0 1.0
   29    33    63    47  -0.07550 -1.0 2.0
   29    33    63    47   0.20000  1.0 3.0
   29    33    63    64   0.15000  1.0 3.0
   29    33    63    70   0.44750  1.0 1.0
   29    33    63    70  -0.17800 -1.0 2.0
   29    33    63    70   0.20200  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    44   7.00000 -1.0 2.0
   33    37    42    43  -0.64400  1.0 1.0
   33    37    42    43   0.26850 -1.0 2.0
   33    37    42    45   0.25700  1.0 1.0
   33    37    42    45   0.66200 -1.0 2.0
   33    37    42    45   0.04450  1.0 3.0
   33    63    70    71   0.15000  1.0 3.0
   33    63    70    72   0.15000  1.0 3.0
   33    63    70    73   0.15000  1.0 3.0
   37    33    63    47  -0.98800  1.0 1.0
   37    33    63    47   0.48800 -1.0 2.0
   37    33    63    47   0.76800  1.0 3.0
   37    33    63    64   0.15000  1.0 3.0
   37    33    63    70   0.34400  1.0 1.0
   37    33    63    70   0.09450 -1.0 2.0
   37    33    63    70   0.11100  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40   -44    47  -0.51250  1.0 1.0
   37    40   -44    47  -0.88800 -1.0 2.0
   37    40   -44    47   0.08850  1.0 3.0
   37    40    44    49   0.09850  1.0 1.0
   37    40    44    49   0.15250 -1.0 2.0
   37    40    44    49  -0.50650  1.0 3.0
   37    40    44    53   0.09850  1.0 1.0
   37    40    44    53   0.15250 -1.0 2.0
   37    40    44    53  -0.50650  1.0 3.0
   37    42    45    46   0.00000  1.0 1.0
   37    42    45    56   0.65300  1.0 1.0
   37    42    45    56  -0.03850 -1.0 2.0
   37    42    45    56   0.33900  1.0 3.0
   37    42    45    60   0.65300  1.0 1.0
   37    42    45    60  -0.03850 -1.0 2.0
   37    42    45    60   0.33900  1.0 3.0
   40    37    42    43   1.00000 -1.0 2.0
   40    37    42    45  -0.33500  1.0 1.0
   40    37    42    45   1.06600 -1.0 2.0
   40    37    42    45  -0.14000  1.0 3.0
   40    44    47    48   0.30150 -1.0 2.0
   40    44    47    63   0.65300  1.0 1.0
   40    44    47    63  -0.03850 -1.0 2.0
   40    44    47    63   0.33900  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    52   0.15000  1.0 3.0
   40    44    53    54   0.15000  1.0 3.0
   40    44    53    55   0.15000  1.0 3.0
   40    44    53    65   0.21200  1.0 1.0
   40    44    53    65   0.16900 -1.0 2.0
   40    44    53    65  -1.15100  1.0 3.0
   41    40    44    47   0.09700  1.0 1.0
   41    40    44    47   0.15600 -1.0 2.0
   41    40    44    47  -0.50800  1.0 3.0
   41    40    44    49   0.09700  1.0 1.0
   41    40    44    49   0.15600 -1.0 2.0
   41    40    44    49  -0.50800  1.0 3.0
   41    40    44    53   0.09700  1.0 1.0
   41    40    44    53   0.15600 -1.0 2.0
   41    40    44    53  -0.50800  1.0 3.0
   44    47   -63    33   0.60050  1.0 1.0
   44    47   -63    33   0.05600 -1.0 2.0
   44    47   -63    33   0.26150  1.0 3.0
   44    47    63    64   0.00000  1.0 1.0
   44    47    63    70   0.60050  1.0 1.0
   44    47    63    70   0.05600 -1.0 2.0
   44    47    63    70   0.26150  1.0 3.0
   44    53    65    74   0.04150 -1.0 2.0
   44    53    65    86   0.04150 -1.0 2.0
   47    44    49    50  -0.11250  1.0 3.0
   47    44    49    51  -0.11250  1.0 3.0
   47    44    49    52  -0.11250  1.0 3.0
   47    44    53    54  -0.11250  1.0 3.0
   47    44    53    55  -0.11250  1.0 3.0
   47    44    53    65   0.56750  1.0 1.0
   47    44    53    65  -0.07550 -1.0 2.0
   47    44    53    65   0.20000  1.0 3.0
   47    63    70    71  -0.11250  1.0 3.0
   47    63    70    72  -0.11250  1.0 3.0
   47    63    70    73  -0.11250  1.0 3.0
   48    47    63    33   0.30150 -1.0 2.0
   48    47    63    64   0.00000  1.0 1.0
   48    47    63    70   0.30150 -1.0 2.0
   63    33   -37    40   0.09850  1.0 1.0
   63    33   -37    40   0.15250 -1.0 2.0
   63    33   -37    40  -0.50650  1.0 3.0
   63    33    37    42   0.09700  1.0 1.0
   63    33    37    42   0.15600 -1.0 2.0
   63    33    37    42  -0.50800  1.0 3.0
   63    33    38    39  -0.11600  1.0 1.0
   63    33    38    39  -0.09450 -1.0 2.0
   63    33    38    39   0.21250  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    73   0.15000  1.0 3.0
   49    44    47    48   0.30150 -1.0 2.0
   49    44    47    63   0.60050  1.0 1.0
   49    44    47    63   0.05600 -1.0 2.0
   49    44    47    63   0.26150  1.0 3.0
   49    44    53    54   0.15000  1.0 3.0
   49    44    53    55   0.15000  1.0 3.0
   49    44    53    65  -0.03700  1.0 1.0
   49    44    53    65   0.37200 -1.0 2.0
   49    44    53    65  -0.47300  1.0 3.0
   53    44    47    48   0.30150 -1.0 2.0
   53    44    47    63   0.60050  1.0 1.0
   53    44    47    63   0.05600 -1.0 2.0
   53    44    47    63   0.26150  1.0 3.0
   53    44    49    50   0.15000  1.0 3.0
   53    44    49    51   0.15000  1.0 3.0
   53    44    49    52   0.15000  1.0 3.0
   53    65    74    75   3.62500 -1.0 2.0
   53    65    74    76   3.62500 -1.0 2.0
   53    65    86    81   3.62500 -1.0 2.0
   53    65    86    98   3.62500 -1.0 2.0
   54    53    65    74   0.00000  1.0 1.0
   54    53    65    86   0.00000  1.0 1.0
   55    53    65    74   0.00000  1.0 1.0
   55    53    65    86   0.00000  1.0 1.0
   65    74    75    78   3.62500 -1.0 2.0
   65    74    75    79   3.62500 -1.0 2.0
   65    74    76    77   0.84100 -1.0 2.0
   65    86    98    99   0.84100 -1.0 2.0
   74    65    86    81   3.62500 -1.0 2.0
   74    65    86    98   3.62500 -1.0 2.0
   74    75   -78    81   3.62500 -1.0 2.0
   74    75    78    82   3.62500 -1.0 2.0
   74    75    79    80   1.05000 -1.0 2.0
   74    75    79    83   2.26350  1.0 1.0
   74    75    79    83   0.76750 -1.0 2.0
   74    75    79    83   0.22500  1.0 3.0
   75    74    76    77   0.84100 -1.0 2.0
   75    78    81    86   3.62500 -1.0 2.0
   75    78    81    87   3.62500 -1.0 2.0
   75    78    82    91   1.63200 -1.0 2.0
   75    79    83    84   0.00000  1.0 1.0
   75    79    83    85   0.00000  1.0 1.0
   75    79    83    95   0.05850 -1.0 2.0
   75    79    83    95   0.17250  1.0 3.0
   78    75    79    80   1.05000 -1.0 2.0
   78    75    79    83   2.26350  1.0 1.0
   78    75    79    83   0.76750 -1.0 2.0
   78    75    79    83   0.22500  1.0 3.0
   78    81   -86    65   3.62500 -1.0 2.0
   78    81    86    98   3.62500 -1.0 2.0
   78    81    87    88   0.00000  1.0 1.0
   78    81    87    89   0.00000  1.0 1.0
   78    81    87    90   0.00000  1.0 1.0
   78    82    91    92   0.08050  1.0 3.0
   78    82    91    93   0.08050  1.0 3.0
   78    82    91    94   0.08050  1.0 3.0
   81    78    82    91   1.63200 -1.0 2.0
   81    86    98    99   0.84100 -1.0 2.0
   86    65   -74    75   3.62500 -1.0 2.0
   86    65    74    76   3.62500 -1.0 2.0
   86    81    87    88   0.00000  1.0 1.0
   86    81    87    89   0.00000  1.0 1.0
   86    81    87    90   0.00000  1.0 1.0
   87    81    86    65   3.62500 -1.0 2.0
   87    81    86    98   3.62500 -1.0 2.0
   82    78    81    86   3.62500 -1.0 2.0
   82    78    81    87   3.62500 -1.0 2.0
   79    75    78    81   3.62500 -1.0 2.0
   79    75    78    82   3.62500 -1.0 2.0
   79    83    95    96  -0.11250  1.0 3.0
   79    83    95    97  -0.11250  1.0 3.0
   79    83    95   100  -0.95700  1.0 1.0
   79    83    95   100  -0.18200 -1.0 2.0
   79    83    95   100   0.29450  1.0 3.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    85   0.00000  1.0 1.0
   80    79    83    95   0.30150 -1.0 2.0
   83    95   100   101   0.15000  1.0 3.0
   83    95   100   102   0.15000  1.0 3.0
   83    95   100   103   0.15000  1.0 3.0
   84    83    95    96   0.15000  1.0 3.0
   84    83    95    97   0.15000  1.0 3.0
   84    83    95   100   0.15000  1.0 3.0
   85    83    95    96   0.15000  1.0 3.0
   85    83    95    97   0.15000  1.0 3.0
   85    83    95   100   0.15000  1.0 3.0
   96    95   100   101   0.15000  1.0 3.0
   96    95   100   102   0.15000  1.0 3.0
   96    95   100   103   0.15000  1.0 3.0
   97    95   100   101   0.15000  1.0 3.0
   97    95   100   102   0.15000  1.0 3.0
   97    95   100   103   0.15000  1.0 3.0
   76    74    75    78   3.62500 -1.0 2.0
   76    74    75    79   3.62500 -1.0 2.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    44   7.00000 -1.0 2.0
   42    45    56    57  -0.11250  1.0 3.0
   42    45    56    58  -0.11250  1.0 3.0
   42    45    56    59  -0.11250  1.0 3.0
   42    45    60    61  -0.11250  1.0 3.0
   42    45    60    62  -0.11250  1.0 3.0
   42    45    60    66  -0.95700  1.0 1.0
   42    45    60    66  -0.18200 -1.0 2.0
   42    45    60    66   0.29450  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    56   0.30150 -1.0 2.0
   43    42    45    60   0.30150 -1.0 2.0
   45    60    66    67   0.15000  1.0 3.0
   45    60    66    68   0.15000  1.0 3.0
   45    60    66    69   0.15000  1.0 3.0
   46    45    56    57   0.15000  1.0 3.0
   46    45    56    58   0.15000  1.0 3.0
   46    45    56    59   0.15000  1.0 3.0
   46    45    60    61   0.15000  1.0 3.0
   46    45    60    62   0.15000  1.0 3.0
   46    45    60    66   0.15000  1.0 3.0
   56    45    60    61   0.15000  1.0 3.0
   56    45    60    62   0.15000  1.0 3.0
   56    45    60    66   0.56750  1.0 1.0
   56    45    60    66  -0.07550 -1.0 2.0
   56    45    60    66   0.20000  1.0 3.0
   60    45    56    57   0.15000  1.0 3.0
   60    45    56    58   0.15000  1.0 3.0
   60    45    56    59   0.15000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    69   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    69   0.15000  1.0 3.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    63    47  -0.09450  1.0 1.0
   38    33    63    47  -1.12950 -1.0 2.0
   38    33    63    47   0.54000  1.0 3.0
   38    33    63    64   0.23400  1.0 3.0
   38    33    63    70   0.86500  1.0 1.0
   38    33    63    70  -0.17500 -1.0 2.0
   38    33    63    70   0.20800  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    42    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   44    63    47    48  10.50000 -1.0 2.0
   74    86    65    53   4.00000 -1.0 2.0
   75    76    74    65   4.00000 -1.0 2.0
   78    79    75    74   4.00000 -1.0 2.0
   81    82    78    75   4.00000 -1.0 2.0
   86    87    81    78   4.00000 -1.0 2.0
   81    98    86    65   4.00000 -1.0 2.0
   75    83    79    80  10.50000 -1.0 2.0
   37    45    42    43  10.50000 -1.0 2.0
END
