* LIGAND DATABASE FILE (OPLS2005)
*
001     102   107    197    327     592
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02060    91.68311    37.57972
    3     1 S   H    _H1_     3     1.02097    32.95394   160.43932
    4     1 S   H    _H2_     4     1.02090    88.75246   -71.10169
    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     1.08641   109.88695   179.05581
   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   _C22    36     1.82499    98.07189   161.81726
   34    33 S   HC   _H7_    37     1.09698   103.37984   -57.78459
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C21    38     1.54072   114.29861    60.03376
   39    38 S   HC   _H6_    39     1.09981   107.98781   -57.35953
   40    38 S   C    _C20    40     1.53635   115.76582    60.15771
   41    40 S   O    _O33    41     1.23175   121.39295   -17.49927
   42    38 S   CT   _C7_    68     1.53374   107.77374  -174.01542
   43    42 S   HC   _H4_    69     1.10128   106.49129    61.99995
   44    40 S   N    _N5_    42     1.39991   115.45996   167.90507
   45    42 S   CT   _C6_    70     1.55208   112.78177   -52.68174
   46    45 S   HC   _H3_    71     1.09845   107.06411   165.86599
   47    44 S   CT   _C19    43     1.47605   118.91146   166.64081
   48    47 S   HC   _H26    44     1.09720   107.43568   111.90015
   49    47 S   HC   _H27    45     1.09459   110.81277    -4.87781
   50    45 S   CO   _C23    72     1.54458   110.39155    48.54867
   51    50 S   HC   _H8_    73     1.09787   109.84222  -168.11122
   52    45 S   CM   _C5_    98     1.49935   115.98694   -75.92496
   53    52 S   HC   _H16    99     1.08695   117.19451    61.27355
   54    47 S   CT   _C18    46     1.53303   111.34526  -126.30946
   55    54 S   HC   _H24    47     1.09532   109.76648  -169.96436
   56    54 S   HC   _H25    48     1.09516   109.68988    71.75886
   57    33 S   OS   _O34    74     1.42908   111.56992  -173.65412
   58    50 S   OS1  _O35    75     1.42766   109.13685    75.33899
   59    52 S   CM   _C4_   100     1.33745   124.04306  -118.73439
   60    59 S   HC   _H14   101     1.08475   120.49152  -179.96574
   61    59 S   HC   _H15   102     1.08561   121.53060    -0.01978
   62    54 S   C5B  _C11    49     1.46929   109.24203   -47.72667
   63    58 S   CO1  _C24    76     1.41857   111.27081   178.63628
   64    63 S   HC   _H9_    77     1.09678   107.46843    59.97211
   65    62 S   C56B _C12    50     1.44276   132.62401  -159.94393
   66    62 S   C5A  _C10    62     1.46588   121.85727    18.27973
   67    63 S   CT   _C25    78     1.52860   107.83456   179.63203
   68    67 S   HC   _H10    79     1.09699   110.69122    51.31548
   69    65 S   CA   _C13    51     1.37699   134.47782    -1.77498
   70    69 S   HA   _H19    52     1.08419   121.81669    -0.33920
   71    44 S   CT   _C9_    63     1.48138   123.49067   -27.21004
   72    71 S   HC   _H5_    64     1.09637   105.96123   -98.31350
   73    67 S   CT   _C26    80     1.52850   111.36167   173.92368
   74    73 S   HC   _H11    81     1.09726   110.92330    74.78603
   75    67 S   OH5  _O40    96     1.42719   109.49927   -66.32311
   76    75 S   HO   _H33    97     0.96936   106.43600   -61.58865
   77    69 S   CA   _C14    53     1.39976   117.36192   179.66721
   78    77 S   HA   _H20    54     1.08666   119.54007   179.96574
   79    71 S   CT   _C8_    65     1.52328   114.85929    22.57531
   80    79 S   HC   _H17    66     1.09999   108.99095    84.92864
   81    79 S   HC   _H18    67     1.09780   110.18140  -159.74908
   82    73 S   CT   _C27    82     1.52844   111.22741   -48.57948
   83    82 S   HC   _H12    83     1.09804   108.88372   -72.62197
   84    73 S   OH5  _O39    94     1.42905   109.18519  -168.32416
   85    84 S   HO   _H32    95     0.96904   106.30072    61.36299
   86    77 S   CA   _C15    55     1.41174   121.22638    -0.09065
   87    86 S   HA   _H21    56     1.08714   119.28257  -179.97202
   88    82 S   CT   _C28    84     1.53042   110.80031    49.48994
   89    88 S   HC   _H13    85     1.09838   110.44608    64.87394
   90    82 S   OH5  _O38    92     1.42497   108.06841   170.64481
   91    90 S   HO   _H31    93     0.96930   106.54779   -60.03109
   92    86 S   CA   _C16    57     1.39798   121.14740     0.03426
   93    92 S   HA   _H22    58     1.08366   120.85488  -179.90935
   94    63 S   OS1  _O36    86     1.42560   109.82551   -59.93837
   95    88 S   CT   _C29    87     1.52569   112.24021  -175.08414
   96    95 S   HC   _H28    88     1.09024   109.92692    60.10877
   97    95 S   HC   _H29    89     1.08951   110.02194   -60.89658
   98    65 S   C56A _C17    59     1.40895   104.47492   177.88298
   99    95 S   OH5  _O37    90     1.41590   108.52797   179.53691
  100    99 S   HO   _H30    91     0.97245   107.09307  -179.95577
  101    98 S   NA   _N4_    60     1.40450   110.76054    -0.00000
  102   101 S   H    _H23    61     1.01803   123.71838  -178.77188
  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   8   5   4   3
  14   6   2   1   1  16   8  14   4  17   8  14  15   8  11   6
   5  11   4   7   3   9   4   3   2   8   2   1   1  12  13   6
  12  10  12   7   8   4   7   4  13   7   4   1   6   3   3   1
   1  12   7   3   1   5   3   9   6   3   1   4   2   4   4   3
   2   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    50    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    79    42    43    45    50    51    57    58  
   38    39    40    42    50    57  
   36    37  
   37  
    0  
   39    40    41    44    47    71    79    80    81    42    43    45    46    50    57    52  
   40    41    44    79    42    43    45    57  
   41    44    47    48    49    54    66    71    72    79    42    43    45    57  
   44    47    71    42  
   43    45    46    50    51    57    58    52    53    59    44    66    71    72    79    80    81  
   45    46    50    52    71    79    80    81  
   47    48    49    54    55    56    62   101    66    71    72    79    80    81  
   46    50    51    57    58    63    52    53    59    60    61    71    79    80    81  
   50    51    57    58    52    53    59    79  
   48    49    54    55    56    62    65    66    71    72    79  
   49    54    55    56    62    71  
   54    55    56    62    71  
   51    57    58    63    64    67    94    52    53    59    79  
   57    58    63    52  
   53    59    60    61    57    58    79  
   59    60    61  
   55    56    62    65    69    98   101    66    71  
   56    62    65    66  
   62    65    66  
   58    63  
   63    64    67    68    73    88    94    75  
   60    61  
   61  
    0  
   65    69    70    77    92    98   101   102    66    71    72    79  
   64    67    68    73    74    82    88    89    94    95    84    75    76  
   67    68    73    88    94    75  
   69    70    77    78    86    92    93    98   101   102    66    71  
   71    72    79    80    81    69    92    98   101   102  
   68    73    74    82    83    88    94    90    84    85    75    76  
   73    74    82    94    84    75    76  
   70    77    78    86    87    92    98   101  
   77    78    86    98  
   72    79    80    81    98   101   102  
   79    80    81   101  
   74    82    83    88    89    94    95    90    91    84    85    75    76  
   82    83    88    90    84    85    75  
   76    82    84    94  
    0  
   78    86    87    92    93    98  
   86    87    92  
   80    81   101  
   81  
    0  
   83    88    89    94    95    96    97    99    90    91    84    85  
   88    89    94    95    90    91    84  
   85    88    90  
    0  
   87    92    93    98   101  
   92    93    98  
   89    94    95    96    97    99   100    90    91  
   94    95    96    97    99    90  
   91    94    95  
    0  
   93    98   101   102  
   98   101  
   95    96    97    99  
   96    97    99   100  
   97    99   100  
   99   100  
  101   102  
  100  
    0  
  102  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660   0.125000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   88   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   94   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   95   3.5000   0.0660   0.145000   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   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  101   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
  102   0.5000   0.0300   0.357700   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    57   320.000  1.410
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    44   490.000  1.335
   44    47   337.000  1.449
   44    71   337.000  1.449
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   295.000  1.494
   62    65   380.000  1.440
   62    66   520.000  1.370
   65    69   469.000  1.404
   65    98   447.000  1.419
   69    70   367.000  1.080
   69    77   469.000  1.400
   77    78   367.000  1.080
   77    86   469.000  1.400
   86    87   367.000  1.080
   86    92   469.000  1.400
   92    93   367.000  1.080
   92    98   469.000  1.400
   98   101   428.000  1.380
  101   102   434.000  1.010
  101    66   427.000  1.381
   66    71   295.000  1.489
   71    72   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    42   268.000  1.529
   42    43   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    50   250.000  1.527
   45    52   317.000  1.510
   50    51   340.000  1.090
   50    57   320.000  1.380
   50    58   320.000  1.380
   58    63   370.000  1.399
   63    64   360.000  1.097
   63    67   255.000  1.525
   63    94   370.000  1.399
   67    68   340.000  1.090
   67    73   268.000  1.529
   67    75   355.000  1.421
   73    74   340.000  1.090
   73    82   268.000  1.529
   73    84   355.000  1.421
   82    83   340.000  1.090
   82    88   268.000  1.529
   82    90   355.000  1.421
   88    89   340.000  1.090
   88    94   335.000  1.422
   88    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    99   355.000  1.421
   99   100   580.000  0.967
   90    91   580.000  0.967
   84    85   580.000  0.967
   75    76   580.000  0.967
   52    53   340.000  1.080
   52    59   549.000  1.340
   59    60   340.000  1.080
   59    61   340.000  1.080
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    57    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    57    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    44    70.00000  116.60000
   38    42    79    58.35000  112.70000
   38    42    43    37.50000  110.70000
   38    42    45    58.35000  112.70000
   40    38    39    35.00000  109.50000
   40    44    47    50.00000  121.90000
   40    44    71    50.00000  121.90000
   44    40    41    80.00000  122.90000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    54    70.00000  110.72300
   44    71    66    80.00000  111.96000
   44    71    72    35.00000  109.50000
   44    71    79    70.00000  110.72300
   47    54    55    37.50000  110.70000
   47    54    56    37.50000  110.70000
   47    54    62    70.00000  112.62400
   49    47    48    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    62    65    55.00000  128.73000
   54    62    66    55.00000  127.77900
   56    54    55    33.00000  107.80000
   62    54    55    45.00000  111.11700
   62    54    56    45.00000  111.11700
   62    65    69    50.00000  134.85500
   62    65    98    80.00000  107.43600
   62    66   101    70.00000  106.30000
   62    66    71    55.00000  130.44200
   65    69    70    35.00000  120.00000
   65    69    77    63.00000  120.00000
   65    98    92    85.00000  122.70000
   65    98   101    70.00000  104.40000
   69    77    78    35.00000  120.00000
   69    77    86    63.00000  120.00000
   77    69    70    35.00000  120.00000
   77    86    87    35.00000  120.00000
   77    86    92    63.00000  120.00000
   86    77    78    35.00000  120.00000
   86    92    93    35.00000  120.00000
   86    92    98    85.00000  120.00000
   92    86    87    35.00000  120.00000
   92    98   101    70.00000  132.80000
   98    65    69    85.00000  116.20000
   98    92    93    35.00000  120.00000
   98   101   102    35.00000  123.10000
   98   101    66    90.00000  107.14200
  101    66    71    65.00000  122.56900
   66    62    65    80.00000  105.82900
   66   101   102    35.00000  120.00000
   66    71    72    45.00000  110.47400
   66    71    79    70.00000  113.44400
   71    44    47    50.00000  118.00000
   71    79    80    37.50000  110.70000
   71    79    81    37.50000  110.70000
   71    79    42    58.35000  112.70000
   79    71    72    37.50000  110.70000
   79    42    43    37.50000  110.70000
   79    42    45    58.35000  112.70000
   81    79    80    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   42    79    80    37.50000  110.70000
   42    79    81    37.50000  110.70000
   42    45    46    37.50000  110.70000
   42    45    50    75.00000  109.43000
   42    45    52    70.00000  112.02700
   45    42    43    37.50000  110.70000
   45    50    51    45.00000  112.01100
   45    50    57    90.00000  108.56700
   45    50    58    90.00000  108.56700
   45    52    53    35.00000  117.00000
   45    52    59    70.00000  124.00000
   50    45    46    45.00000  108.72000
   50    58    63    90.00000  112.10700
   57    33    34    35.00000  109.50000
   57    33    38    50.00000  109.50000
   57    50    51    35.00000  109.50000
   58    50    51    35.00000  109.50000
   58    50    57    92.60000  111.55000
   58    63    64    60.00000  105.75400
   58    63    67    90.00000  109.70700
   58    63    94   110.00000  113.16000
   63    67    68    45.00000  109.54000
   63    67    73    70.00000  111.10000
   63    67    75    90.00000  109.42000
   63    94    88    90.00000  112.10700
   67    63    64    45.00000  111.65000
   67    73    74    37.50000  110.70000
   67    73    82    58.35000  112.70000
   67    73    84    90.00000  111.45300
   67    75    76    65.00000  108.53500
   73    67    68    37.50000  110.70000
   73    82    83    37.50000  110.70000
   73    82    88    58.35000  112.70000
   73    82    90    90.00000  111.45300
   73    84    85    65.00000  108.53500
   82    73    74    37.50000  110.70000
   82    88    89    37.50000  110.70000
   82    88    94    95.00000  107.88500
   82    88    95    58.35000  112.70000
   82    90    91    65.00000  108.53500
   88    82    83    37.50000  110.70000
   88    95    96    37.50000  110.70000
   88    95    97    37.50000  110.70000
   88    95    99    90.00000  111.45300
   94    63    64    60.00000  105.75400
   94    63    67    90.00000  109.70700
   94    88    89    55.00000  108.98800
   95    88    89    37.50000  110.70000
   95    88    94    95.00000  107.88500
   95    99   100    65.00000  108.53500
   97    95    96    33.00000  107.80000
   99    95    96    60.00000  109.39000
   99    95    97    60.00000  109.39000
   90    82    83    60.00000  109.39000
   90    82    88    90.00000  111.45300
   84    73    74    60.00000  109.39000
   84    73    82    90.00000  111.45300
   75    67    68    60.00000  109.39000
   75    67    73    90.00000  111.45300
   52    45    46    35.00000  109.50000
   52    45    50    70.00000  112.02700
   52    59    60    35.00000  120.00000
   52    59    61    35.00000  120.00000
   59    52    53    35.00000  120.00000
   61    59    60    35.00000  117.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    57    50   0.14700  1.0 1.0
   29    33    57    50  -1.16150 -1.0 2.0
   29    33    57    50   0.48700  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    44   1.39750  1.0 1.0
   33    38    40    44  -0.07950 -1.0 2.0
   33    38    40    44  -0.18750  1.0 3.0
   33    38    42    79   0.56750  1.0 1.0
   33    38    42    79  -0.07550 -1.0 2.0
   33    38    42    79   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    45   0.56750  1.0 1.0
   33    38    42    45  -0.07550 -1.0 2.0
   33    38    42    45   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    57    50   0.37050  1.0 3.0
   38    33    57    50   0.06250  1.0 1.0
   38    33    57    50  -0.01100 -1.0 2.0
   38    33    57    50   0.28050  1.0 3.0
   38    40    44    47   1.49850  1.0 1.0
   38    40    44    47   1.53950 -1.0 2.0
   38    40    44    71   1.49850  1.0 1.0
   38    40    44    71   1.53950 -1.0 2.0
   38    42    45    46   0.15000  1.0 3.0
   38    42   -45    50   3.97050  1.0 1.0
   38    42    45    52   0.34400  1.0 1.0
   38    42    45    52   0.09450 -1.0 2.0
   38    42    45    52   0.11100  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    79   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    45   0.15000  1.0 3.0
   40    38    42    79  -0.95700  1.0 1.0
   40    38    42    79  -0.18200 -1.0 2.0
   40    38    42    79   0.29450  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    45  -0.95700  1.0 1.0
   40    38    42    45  -0.18200 -1.0 2.0
   40    38    42    45   0.29450  1.0 3.0
   40    44    47    48   0.00000  1.0 1.0
   40    44    47    49   0.00000  1.0 1.0
   40    44    47    54  -0.43950  1.0 1.0
   40    44    47    54  -0.08100 -1.0 2.0
   40    44    47    54   0.03350  1.0 3.0
   40    44    71    66  -0.69800  1.0 1.0
   40    44    71    66  -0.21350 -1.0 2.0
   40    44    71    72   0.00000  1.0 1.0
   40    44   -71    79  -0.43950  1.0 1.0
   40    44   -71    79  -0.08100 -1.0 2.0
   40    44   -71    79   0.03350  1.0 3.0
   41    40    44    47   3.04450 -1.0 2.0
   41    40    44    71   3.04450 -1.0 2.0
   44    47    54    55   0.15000  1.0 3.0
   44    47    54    56   0.15000  1.0 3.0
   44    47    54    62   0.08550  1.0 1.0
   44    47    54    62   1.07500 -1.0 2.0
   44    47    54    62  -0.10950  1.0 3.0
   44    71    79    80   0.15000  1.0 3.0
   44    71    79    81   0.15000  1.0 3.0
   44    71    79    42   0.43900  1.0 1.0
   44    71    79    42   0.49100 -1.0 2.0
   44    71    79    42   0.28400  1.0 3.0
   47    44    71    66   0.17850 -1.0 2.0
   47    44    71    72   0.00000  1.0 1.0
   47    44    71    79  -0.05900 -1.0 2.0
   47    54    62    65   0.04150 -1.0 2.0
   47    54   -62    66   0.04150 -1.0 2.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   48    47    54    62   0.43200  1.0 3.0
   49    47    54    55   0.15000  1.0 3.0
   49    47    54    56   0.15000  1.0 3.0
   49    47    54    62   0.43200  1.0 3.0
   54    62    65    69   3.62500 -1.0 2.0
   54    62    65    98   3.62500 -1.0 2.0
   54    62    66   101   3.62500 -1.0 2.0
   54    62    66    71   3.62500 -1.0 2.0
   55    54    62    65   0.00000  1.0 1.0
   55    54    62    66   0.00000  1.0 1.0
   56    54    62    65   0.00000  1.0 1.0
   56    54    62    66   0.00000  1.0 1.0
   62    65    69    70   3.62500 -1.0 2.0
   62    65    69    77   3.62500 -1.0 2.0
   62    65    98    92   3.00000 -1.0 2.0
   62    65   -98   101   3.00000 -1.0 2.0
   62    66   -71    44  -0.24500  1.0 1.0
   62    66   -71    44   0.48300 -1.0 2.0
   62    66   -71    44   0.08900  1.0 3.0
   62    66    71    72   0.00000  1.0 1.0
   62    66    71    79   0.04150 -1.0 2.0
   65    62   -66   101   3.62500 -1.0 2.0
   65    62    66    71   3.62500 -1.0 2.0
   65    69    77    78   3.62500 -1.0 2.0
   65    69    77    86   3.62500 -1.0 2.0
   65    98   101   102   1.52500 -1.0 2.0
   65    98  -101    66   3.62500 -1.0 2.0
   69    65    98    92   3.00000 -1.0 2.0
   69    65    98   101   3.00000 -1.0 2.0
   69    77    86    87   3.62500 -1.0 2.0
   69    77   -86    92   3.62500 -1.0 2.0
   70    69    77    78   3.62500 -1.0 2.0
   70    69    77    86   3.62500 -1.0 2.0
   77    86    92    93   3.62500 -1.0 2.0
   77    86    92    98   3.62500 -1.0 2.0
   78    77    86    87   3.62500 -1.0 2.0
   78    77    86    92   3.62500 -1.0 2.0
   86    92   -98    65   3.62500 -1.0 2.0
   86    92    98   101   3.62500 -1.0 2.0
   87    86    92    93   3.62500 -1.0 2.0
   87    86    92    98   3.62500 -1.0 2.0
   92    98   101   102   1.52500 -1.0 2.0
   92    98   101    66   3.62500 -1.0 2.0
   93    92    98    65   3.62500 -1.0 2.0
   93    92    98   101   3.62500 -1.0 2.0
   98    65    69    70   3.50000 -1.0 2.0
   98    65   -69    77   3.50000 -1.0 2.0
   98   101   -66    62   3.62500 -1.0 2.0
   98   101    66    71   3.62500 -1.0 2.0
  101    66    71    44   0.04300 -1.0 2.0
  101    66    71    72   0.00000  1.0 1.0
  101    66    71    79   0.39850  1.0 1.0
  101    66    71    79   0.06450 -1.0 2.0
  101    66    71    79   0.32400  1.0 3.0
  102   101    66    62   1.40000 -1.0 2.0
  102   101    66    71   2.00000 -1.0 2.0
   66    62    65    69   3.62500 -1.0 2.0
   66    62   -65    98   3.50000 -1.0 2.0
   66    71    79    80   0.43200  1.0 3.0
   66    71    79    81   0.43200  1.0 3.0
   66    71    79    42  -0.03700  1.0 1.0
   66    71    79    42   0.37200 -1.0 2.0
   66    71    79    42  -0.47300  1.0 3.0
   71    44    47    48   0.00000  1.0 1.0
   71    44    47    49   0.00000  1.0 1.0
   71    44   -47    54  -0.05900 -1.0 2.0
   71    79   -42    38   0.56750  1.0 1.0
   71    79   -42    38  -0.07550 -1.0 2.0
   71    79   -42    38   0.20000  1.0 3.0
   71    79    42    43   0.15000  1.0 3.0
   71    79    42    45   0.56750  1.0 1.0
   71    79    42    45  -0.07550 -1.0 2.0
   71    79    42    45   0.20000  1.0 3.0
   72    71    79    80   0.15000  1.0 3.0
   72    71    79    81   0.15000  1.0 3.0
   72    71    79    42   0.15000  1.0 3.0
   79    42    45    46   0.15000  1.0 3.0
   79    42    45    50   3.97050  1.0 1.0
   79    42    45    52   0.34400  1.0 1.0
   79    42    45    52   0.09450 -1.0 2.0
   79    42    45    52   0.11100  1.0 3.0
   80    79    42    38   0.15000  1.0 3.0
   80    79    42    43   0.15000  1.0 3.0
   80    79    42    45   0.15000  1.0 3.0
   81    79    42    38   0.15000  1.0 3.0
   81    79    42    43   0.15000  1.0 3.0
   81    79    42    45   0.15000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38   -40    44   1.39750  1.0 1.0
   42    38   -40    44  -0.07950 -1.0 2.0
   42    38   -40    44  -0.18750  1.0 3.0
   42    45    50    51   0.15000  1.0 3.0
   42    45    50    57   0.62750  1.0 1.0
   42    45    50    57  -0.30950 -1.0 2.0
   42    45    50    57   0.27300  1.0 3.0
   42    45    50    58   0.62750  1.0 1.0
   42    45    50    58  -0.30950 -1.0 2.0
   42    45    50    58   0.27300  1.0 3.0
   42    45    52    53   0.00000  1.0 1.0
   42    45    52    59   0.09850  1.0 1.0
   42    45    52    59   0.15250 -1.0 2.0
   42    45    52    59  -0.50650  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    50   0.15000  1.0 3.0
   43    42    45    52   0.15000  1.0 3.0
   45    50   -57    33   0.06250  1.0 1.0
   45    50   -57    33  -0.01100 -1.0 2.0
   45    50   -57    33   0.28050  1.0 3.0
   45    50    58    63   0.06250  1.0 1.0
   45    50    58    63  -0.01100 -1.0 2.0
   45    50    58    63   0.28050  1.0 3.0
   45    52    59    60   7.00000 -1.0 2.0
   45    52    59    61   7.00000 -1.0 2.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    57   0.23400  1.0 3.0
   46    45    50    58   0.23400  1.0 3.0
   46    45    52    53   0.33100  1.0 3.0
   46    45    52    59   0.00000  1.0 1.0
   50    45    52    53   0.00000  1.0 1.0
   50    45    52    59   0.09850  1.0 1.0
   50    45    52    59   0.15250 -1.0 2.0
   50    45    52    59  -0.50650  1.0 3.0
   50    58    63    64   0.37050  1.0 3.0
   50    58    63    67   0.06250  1.0 1.0
   50    58    63    67  -0.01100 -1.0 2.0
   50    58    63    67   0.28050  1.0 3.0
   50    58    63    94  -0.12700  1.0 1.0
   50    58    63    94  -1.16200 -1.0 2.0
   50    58    63    94   0.58800  1.0 3.0
   51    50    57    33   0.37050  1.0 3.0
   51    50    58    63   0.37050  1.0 3.0
   57    33    38    39   0.23400  1.0 3.0
   57    33    38    40  -0.09450  1.0 1.0
   57    33    38    40  -1.12950 -1.0 2.0
   57    33    38    40   0.54000  1.0 3.0
   57    33   -38    42   0.62750  1.0 1.0
   57    33   -38    42  -0.30950 -1.0 2.0
   57    33   -38    42   0.27300  1.0 3.0
   57    50    58    63  -0.53350  1.0 1.0
   57    50    58    63  -0.78350 -1.0 2.0
   57    50    58    63   0.33750  1.0 3.0
   58    50    57    33  -0.81800  1.0 1.0
   58    63    67    68   0.23400  1.0 3.0
   58    63    67    73   0.62750  1.0 1.0
   58    63    67    73  -0.30950 -1.0 2.0
   58    63    67    73   0.27300  1.0 3.0
   58    63    67    75   1.51850  1.0 1.0
   58    63    94    88  -0.70400  1.0 1.0
   58    63    94    88  -0.90350 -1.0 2.0
   63    67    73    74   0.15000  1.0 3.0
   63    67    73    82   0.56750  1.0 1.0
   63    67    73    82  -0.07550 -1.0 2.0
   63    67    73    82   0.20000  1.0 3.0
   63    67    73    84  -0.47750  1.0 1.0
   63    67    75    76   0.29150  1.0 1.0
   63    67    75    76  -0.28350 -1.0 2.0
   63    67    75    76   0.43600  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    73   0.15000  1.0 3.0
   64    63    67    75   0.23400  1.0 3.0
   64    63    94    88   0.37050  1.0 3.0
   67    63    94    88   0.06250  1.0 1.0
   67    63    94    88  -0.01100 -1.0 2.0
   67    63    94    88   0.28050  1.0 3.0
   67    73    82    83   0.15000  1.0 3.0
   67    73   -82    88   0.56750  1.0 1.0
   67    73   -82    88  -0.07550 -1.0 2.0
   67    73   -82    88   0.20000  1.0 3.0
   67    73    82    90  -0.47750  1.0 1.0
   67    73    84    85   0.29150  1.0 1.0
   67    73    84    85  -0.28350 -1.0 2.0
   67    73    84    85   0.43600  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    82   0.15000  1.0 3.0
   68    67    73    84   0.23400  1.0 3.0
   68    67    75    76   0.19450  1.0 3.0
   73    67    75    76   0.29150  1.0 1.0
   73    67    75    76  -0.28350 -1.0 2.0
   73    67    75    76   0.43600  1.0 3.0
   73    82    88    89   0.15000  1.0 3.0
   73    82    88    94   0.62750  1.0 1.0
   73    82    88    94  -0.30950 -1.0 2.0
   73    82    88    94   0.27300  1.0 3.0
   73    82    88    95   0.56750  1.0 1.0
   73    82    88    95  -0.07550 -1.0 2.0
   73    82    88    95   0.20000  1.0 3.0
   73    82    90    91   0.29150  1.0 1.0
   73    82    90    91  -0.28350 -1.0 2.0
   73    82    90    91   0.43600  1.0 3.0
   74    73    82    83   0.15000  1.0 3.0
   74    73    82    88   0.15000  1.0 3.0
   74    73    82    90   0.23400  1.0 3.0
   74    73    84    85   0.19450  1.0 3.0
   82    73    84    85   0.29150  1.0 1.0
   82    73    84    85  -0.28350 -1.0 2.0
   82    73    84    85   0.43600  1.0 3.0
   82    88   -94    63   0.06250  1.0 1.0
   82    88   -94    63  -0.01100 -1.0 2.0
   82    88   -94    63   0.28050  1.0 3.0
   82    88    95    96   0.15000  1.0 3.0
   82    88    95    97   0.15000  1.0 3.0
   82    88    95    99  -0.47750  1.0 1.0
   83    82    88    89   0.15000  1.0 3.0
   83    82    88    94   0.23400  1.0 3.0
   83    82    88    95   0.15000  1.0 3.0
   83    82    90    91   0.19450  1.0 3.0
   88    82    90    91   0.29150  1.0 1.0
   88    82    90    91  -0.28350 -1.0 2.0
   88    82    90    91   0.43600  1.0 3.0
   88    95    99   100   0.29150  1.0 1.0
   88    95    99   100  -0.28350 -1.0 2.0
   88    95    99   100   0.43600  1.0 3.0
   89    88    94    63   0.37050  1.0 3.0
   89    88    95    96   0.15000  1.0 3.0
   89    88    95    97   0.15000  1.0 3.0
   89    88    95    99   0.23400  1.0 3.0
   94    63    67    68   0.23400  1.0 3.0
   94    63   -67    73   0.62750  1.0 1.0
   94    63   -67    73  -0.30950 -1.0 2.0
   94    63   -67    73   0.27300  1.0 3.0
   94    63    67    75   1.51850  1.0 1.0
   94    88    95    96   0.23400  1.0 3.0
   94    88    95    97   0.23400  1.0 3.0
   94    88    95    99   1.51850  1.0 1.0
   95    88    94    63   0.06250  1.0 1.0
   95    88    94    63  -0.01100 -1.0 2.0
   95    88    94    63   0.28050  1.0 3.0
   96    95    99   100   0.19450  1.0 3.0
   97    95    99   100   0.19450  1.0 3.0
   90    82    88    89   0.23400  1.0 3.0
   90    82    88    94   1.51850  1.0 1.0
   90    82    88    95  -0.47750  1.0 1.0
   84    73    82    83   0.23400  1.0 3.0
   84    73    82    88  -0.47750  1.0 1.0
   84    73    82    90   3.77950  1.0 1.0
   75    67    73    74   0.23400  1.0 3.0
   75    67    73    82  -0.47750  1.0 1.0
   75    67    73    84   3.77950  1.0 1.0
   52    45    50    51   0.15000  1.0 3.0
   52    45    50    57   0.61850  1.0 1.0
   52    45    50    57  -0.22750 -1.0 2.0
   52    45    50    57   0.15300  1.0 3.0
   52    45    50    58   0.61850  1.0 1.0
   52    45    50    58  -0.22750 -1.0 2.0
   52    45    50    58   0.15300  1.0 3.0
   53    52    59    60   7.00000 -1.0 2.0
   53    52    59    61   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    44    40    41  10.50000 -1.0 2.0
   71    40    44    47   1.00000 -1.0 2.0
   65    66    62    54   4.00000 -1.0 2.0
   69    98    65    62   4.00000 -1.0 2.0
   77    70    69    65   1.10000 -1.0 2.0
   86    78    77    69   1.10000 -1.0 2.0
   92    87    86    77   1.10000 -1.0 2.0
   98    93    92    86   1.10000 -1.0 2.0
   92   101    98    65   4.00000 -1.0 2.0
  102    98   101    66   1.00000 -1.0 2.0
  101    71    66    62   4.00000 -1.0 2.0
   45    53    52    59  15.00000 -1.0 2.0
   60    61    59    52  15.00000 -1.0 2.0
END
