* LIGAND DATABASE FILE (OPLS2005)
*
001     106   108    195    301     576
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02114    34.16202   145.00178
    3     1 S   H    _H1_     3     1.02138    84.00208   -78.28753
    4     1 S   H    _H2_     4     1.02076    95.84390    29.98797
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C20    36     1.87353    97.00314   161.87250
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C17    37     1.54446   106.40368   -80.02931
   38    37 S   HC   _H40    38     1.12467   109.33663    41.38431
   39    33 S   OH   _O38   105     1.43230   106.84808    36.05806
   40    39 S   HO   _H72   106     0.96660   105.85899    65.54750
   41    37 S   CO4  _C14    39     1.51730   112.33475   -74.65867
   42    41 S   O    _O29    40     1.23181   120.22876   155.81086
   43    37 S   CO4  _C16    93     1.50289   113.45527   157.83560
   44    43 S   O    _O33    94     1.23005   120.99957   -29.08422
   45    41 S   CM   _C12    41     1.49707   119.48805   -27.20497
   46    43 S   CT   _C29    95     1.51842   116.12586   150.91377
   47    46 S   HC   _H63    96     1.09558   107.87986    59.97453
   48    46 S   HC   _H64    97     1.09668   107.86491   -57.15801
   49    45 S   CM   _C13    42     1.34635   120.45262     1.07027
   50    45 S   CT   _C27    54     1.50306   115.45044  -177.41177
   51    50 S   HC   _H59    55     1.09324   108.78231   -61.50836
   52    50 S   HC   _H60    56     1.09200   108.65659  -176.89758
   53    46 S   CT   _C31    98     1.52589   112.56757  -178.50931
   54    53 S   HC   _H67    99     1.09686   109.91450   -60.06655
   55    53 S   HC   _H68   100     1.09638   109.99260    57.19414
   56    33 S   CT   _C19    43     1.57742   112.45152   155.70622
   57    49 S   OH   _O37    52     1.38970   118.62530  -176.74984
   58    57 S   HO   _H71    53     0.95880   109.20410  -179.95577
   59    50 S   CA   _C6_    57     1.50151   112.33739    60.42460
   60    53 S   CT   _C26   101     1.52003   111.52947   178.63771
   61    60 S   HC   _H56   102     1.09486   110.95977   -58.27783
   62    60 S   HC   _H57   103     1.09375   110.98564  -178.73948
   63    60 S   HC   _H58   104     1.09458   110.27597    61.43409
   64    56 S   CT   _C23    44     1.55698   109.94205   -48.31716
   65    64 S   HC   _H47    45     1.08207   108.70628   -57.03333
   66    64 S   HC   _H48    46     1.08134   108.71355  -176.97683
   67    64 S   HC   _H49    47     1.08155   108.75142    62.98474
   68    56 S   CT   _C24    48     1.55147   111.67562  -165.35947
   69    68 S   HC   _H50    49     1.07908   108.42226    58.88603
   70    68 S   HC   _H51    50     1.07961   108.43789   -61.15672
   71    68 S   HC   _H52    51     1.08023   108.43054   178.86581
   72    59 S   CA   _C8_    58     1.39590   120.03314    58.67676
   73    72 S   CA   _C4_    59     1.39986   120.28646  -179.97202
   74    72 S   OH   _O35    91     1.36624   118.94108    -0.02798
   75    74 S   HO   _H69    92     0.96867   109.96302  -179.93147
   76    73 S   CA   _C7_    60     1.39655   119.46805     0.02798
   77    76 S   CA   _C5_    61     1.39714   120.16950    -0.03956
   78    76 S   OS   _O34    77     1.36682   123.61414  -179.91377
   79    59 S   CA   _C9_    62     1.39314   119.97759  -121.29840
   80    77 S   CO4  _C15    65     1.46058   120.35550  -179.98022
   81    80 S   O    _O30    66     1.23971   122.67979   119.95929
   82    78 S   CT   _C18    78     1.44350   119.22861    -0.26020
   83    79 S   OH   _O36    63     1.36457   119.82719     0.06853
   84    83 S   HO   _H70    64     0.96979   110.10494   179.94405
   85    80 S   CT   _C28    67     1.53330   118.35556   -60.03658
   86    85 S   HC   _H61    68     1.09621   108.16770    90.07885
   87    85 S   HC   _H62    69     1.09571   108.26091   -28.18697
   88    82 S   CM   _C11    79     1.51075   115.99423     0.31279
   89    88 S   HC   _H39    80     1.08818   118.08797   179.83214
   90    82 S   CT   _C21    83     1.53316   106.31348  -121.34125
   91    90 S   HC   _H41    84     1.08608   109.56039   -54.15073
   92    90 S   HC   _H42    85     1.08700   109.49529  -174.14335
   93    90 S   HC   _H43    86     1.08685   109.53075    65.90824
   94    82 S   CT   _C22    87     1.53323   106.28035   121.90582
   95    94 S   HC   _H44    88     1.08675   109.53424    54.16299
   96    94 S   HC   _H45    89     1.08703   109.50686   -65.81472
   97    94 S   HC   _H46    90     1.08643   109.55423   174.22179
   98    85 S   CT   _C30    70     1.52978   113.06760  -149.05296
   99    98 S   HC   _H65    71     1.09727   109.92765   -59.97729
  100    98 S   HC   _H66    72     1.09680   109.93795  -177.34200
  101    73 S   CM   _C10    81     1.45274   120.70823  -179.98022
  102   101 S   HC   _H38    82     1.08280   120.89116     0.08156
  103    98 S   CT   _C25    73     1.52026   111.50435    61.32643
  104   103 S   HC   _H53    74     1.09490   110.97609    58.27650
  105   103 S   HC   _H54    75     1.09463   110.25613   -61.41723
  106   103 S   HC   _H55    76     1.09439   110.98763   178.81007
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  21   2   1   1  17   8   7   1  12   4  10   4  12   9   5   4
  15  11   4   3   6   5   4  10   3   1  11   3   2   1   1   7
   3   2   1   3   2   1   1  11  12   4   1  13  12  14   5   9
   4  12   1   1   9   5   4  11   4   8   3   2   1   4   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    56    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    56    64    68    43    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    45    49    56    64    65    66    67    68    69    70    71    57    43    44    46    39    40  
   35    36  
   36  
    0  
   38    41    42    45    49    56    64    68    50    43    44    46    47    48    53    39    40  
   41    42    45    56    43    44    46    39  
   40    41    43    49    56    64    68  
   56  
   42    45    49    56    57    50    51    52    59    43    44    46  
   45    49    50    43  
   44    46    47    48    53    54    55    60    45    56  
   46    47    48    53  
   49    56    64    68    57    58    50    51    52    59    72    79  
   47    48    53    54    55    60    61    62    63  
   48    53    54    55    60  
   53    54    55    60  
   56    64    65    66    67    68    69    70    71    57    58    50    51    52    59  
   51    52    59    72    73    77    79    83    74    56    57  
   52    59    72    79  
   59    72    79  
   54    55    60    61    62    63  
   55    60    61    62    63  
   60    61    62    63  
   64    65    66    67    68    69    70    71    57    58  
   58    64    68  
    0  
   72    73    76    77    79    83    84    80   101    74    75  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    76    77    79    83    78    88   101   102    74    75  
   76    77    79    80    78    82    88    89   101   102    74    75  
   75    76    79   101  
    0  
   77    79    83    80    81    85    78    82    88   101   102    90    94  
   79    83    84    80    81    85    86    87    98    78    82   101  
   82    88    89   101    90    91    92    93    94    95    96    97    79    80  
   83    84    80    81    85  
   81    85    86    87    98    99   100   103    83  
   85    86    87    98  
   88    89   101   102    90    91    92    93    94    95    96    97  
   84  
    0  
   86    87    98    99   100   103   104   105   106  
   87    98    99   100   103  
   98    99   100   103  
   89   101   102    90    91    92    93    94    95    96    97  
  101   102    90    94  
   91    92    93    94    95    96    97   101  
   92    93    94  
   93    94  
   94  
   95    96    97   101  
   96    97  
   97  
    0  
   99   100   103   104   105   106  
  100   103   104   105   106  
  103   104   105   106  
  102  
    0  
  104   105   106  
  105   106  
  106  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   89   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  102   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   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   268.000  1.529
   33    56   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    43   317.000  1.522
   41    42   570.000  1.229
   41    45   320.000  1.462
   45    49   549.000  1.340
   45    50   317.000  1.510
   49    56   317.000  1.510
   49    57   510.000  1.338
   56    64   268.000  1.529
   56    68   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   57    58   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   317.000  1.510
   59    72   469.000  1.400
   59    79   469.000  1.400
   72    73   469.000  1.400
   72    74   450.000  1.364
   73    76   469.000  1.400
   73   101   320.000  1.460
   76    77   469.000  1.400
   76    78   450.000  1.364
   77    79   469.000  1.400
   77    80   310.000  1.470
   79    83   450.000  1.364
   83    84   553.000  0.945
   80    81   570.000  1.229
   80    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   78    82   320.000  1.410
   82    88   317.000  1.510
   82    90   268.000  1.529
   82    94   268.000  1.529
   88    89   340.000  1.080
   88   101   549.000  1.340
  101   102   340.000  1.080
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   74    75   553.000  0.945
   43    44   570.000  1.229
   43    46   317.000  1.522
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   39    40   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  111.63000
   29    33    56    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    43    63.00000  111.10000
   33    56    49    70.00000  112.02700
   33    56    64    58.35000  112.70000
   33    56    68    58.35000  112.70000
   33    39    40    55.00000  108.50000
   37    41    42    80.00000  120.40000
   37    41    45    65.00000  118.62400
   37    43    44    80.00000  120.40000
   37    43    46    70.00000  116.00000
   41    37    38    35.00000  109.50000
   41    45    49    65.00000  118.96000
   41    45    50    65.00000  116.34900
   45    41    42    80.00000  123.72100
   45    49    56    70.00000  124.00000
   45    49    57    80.00000  121.38400
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    59    70.00000  112.99600
   49    56    64    70.00000  112.02700
   49    56    68    70.00000  112.02700
   49    57    58    70.00000  107.45700
   56    33    37    58.35000  112.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    67    37.50000  110.70000
   56    68    69    37.50000  110.70000
   56    68    70    37.50000  110.70000
   56    68    71    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    56    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   57    49    56    90.00000  109.34000
   50    45    49    70.00000  124.00000
   50    59    72    70.00000  120.00000
   50    59    79    70.00000  120.00000
   52    50    51    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    52    35.00000  109.50000
   59    72    73    63.00000  120.00000
   59    72    74    70.00000  120.00000
   59    79    77    63.00000  120.00000
   59    79    83    70.00000  120.00000
   72    73    76    63.00000  120.00000
   72    73   101    60.00000  120.93500
   72    74    75    35.00000  113.00000
   73    76    77    63.00000  120.00000
   73    76    78    70.00000  120.00000
   73   101    88    60.00000  123.20500
   73   101   102    40.00000  117.26300
   76    77    79    63.00000  120.00000
   76    77    80    60.00000  119.52600
   76    78    82    75.00000  111.00000
   77    79    83    70.00000  120.00000
   77    80    81    75.00000  123.78400
   77    80    85    65.00000  115.47100
   79    59    72    63.00000  120.00000
   79    83    84    35.00000  113.00000
   80    77    79    60.00000  119.52600
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    98    63.00000  111.10000
   85    80    81    80.00000  120.40000
   85    98    99    37.50000  110.70000
   85    98   100    37.50000  110.70000
   85    98   103    58.35000  112.70000
   87    85    86    33.00000  107.80000
   98    85    86    37.50000  110.70000
   98    85    87    37.50000  110.70000
   98   103   104    37.50000  110.70000
   98   103   105    37.50000  110.70000
   98   103   106    37.50000  110.70000
  100    98    99    33.00000  107.80000
  103    98    99    37.50000  110.70000
  103    98   100    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   78    76    77    70.00000  120.00000
   78    82    88    85.00000  110.90400
   78    82    90    50.00000  109.50000
   78    82    94    50.00000  109.50000
   82    88    89    35.00000  117.00000
   82    88   101    70.00000  124.00000
   82    90    91    37.50000  110.70000
   82    90    92    37.50000  110.70000
   82    90    93    37.50000  110.70000
   82    94    95    37.50000  110.70000
   82    94    96    37.50000  110.70000
   82    94    97    37.50000  110.70000
   88   101   102    35.00000  120.00000
  101    73    76    60.00000  120.93500
  101    88    89    35.00000  120.00000
   90    82    88    70.00000  112.02700
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   94    82    88    70.00000  112.02700
   94    82    90    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   74    72    73    70.00000  120.00000
   43    37    38    35.00000  109.50000
   43    37    41    75.00000  107.99600
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    53    63.00000  111.10000
   46    43    44    80.00000  120.40000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    60    58.35000  112.70000
   48    46    47    33.00000  107.80000
   53    46    47    37.50000  110.70000
   53    46    48    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    37.50000  110.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   39    33    37    50.00000  109.50000
   39    33    56    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    56    49   0.56750  1.0 1.0
   29    33    56    49  -0.07550 -1.0 2.0
   29    33    56    49   0.20000  1.0 3.0
   29    33    56    64   0.44750  1.0 1.0
   29    33    56    64  -0.17800 -1.0 2.0
   29    33    56    64   0.20200  1.0 3.0
   29    33    56    68   0.44750  1.0 1.0
   29    33    56    68  -0.17800 -1.0 2.0
   29    33    56    68   0.20200  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    45   0.65300  1.0 1.0
   33    37    41    45  -0.03850 -1.0 2.0
   33    37    41    45   0.33900  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    46   0.60050  1.0 1.0
   33    37    43    46   0.05600 -1.0 2.0
   33    37    43    46   0.26150  1.0 3.0
   33    56    64    65   0.15000  1.0 3.0
   33    56    64    66   0.15000  1.0 3.0
   33    56    64    67   0.15000  1.0 3.0
   33    56    68    69   0.15000  1.0 3.0
   33    56    68    70   0.15000  1.0 3.0
   33    56    68    71   0.15000  1.0 3.0
   37    33    56    49   0.34400  1.0 1.0
   37    33    56    49   0.09450 -1.0 2.0
   37    33    56    49   0.11100  1.0 3.0
   37    33    56    64   0.56750  1.0 1.0
   37    33    56    64  -0.07550 -1.0 2.0
   37    33    56    64   0.20000  1.0 3.0
   37    33    56    68   0.56750  1.0 1.0
   37    33    56    68  -0.07550 -1.0 2.0
   37    33    56    68   0.20000  1.0 3.0
   37    33    39    40  -0.11600  1.0 1.0
   37    33    39    40  -0.09450 -1.0 2.0
   37    33    39    40   0.21250  1.0 3.0
   37    41   -45    49  -0.33500  1.0 1.0
   37    41   -45    49   1.06600 -1.0 2.0
   37    41   -45    49  -0.14000  1.0 3.0
   37    41    45    50   0.25700  1.0 1.0
   37    41    45    50   0.66200 -1.0 2.0
   37    41    45    50   0.04450  1.0 3.0
   37    43    46    47   0.00000  1.0 1.0
   37    43    46    48   0.00000  1.0 1.0
   37    43    46    53   0.60050  1.0 1.0
   37    43    46    53   0.05600 -1.0 2.0
   37    43    46    53   0.26150  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    45   0.00000  1.0 1.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    46   0.00000  1.0 1.0
   41    37    43    44   0.30150 -1.0 2.0
   41    37    43    46   0.65300  1.0 1.0
   41    37    43    46  -0.03850 -1.0 2.0
   41    37    43    46   0.33900  1.0 3.0
   41    45    49    56   7.00000 -1.0 2.0
   41    45    49    57   7.00000 -1.0 2.0
   41    45    50    51   0.15000  1.0 3.0
   41    45    50    52   0.15000  1.0 3.0
   41    45    50    59   0.09700  1.0 1.0
   41    45    50    59   0.15600 -1.0 2.0
   41    45    50    59  -0.50800  1.0 3.0
   42    41    45    49   1.00000 -1.0 2.0
   42    41    45    50  -0.64400  1.0 1.0
   42    41    45    50   0.26850 -1.0 2.0
   45    49   -56    33   0.09850  1.0 1.0
   45    49   -56    33   0.15250 -1.0 2.0
   45    49   -56    33  -0.50650  1.0 3.0
   45    49    56    64   0.09850  1.0 1.0
   45    49    56    64   0.15250 -1.0 2.0
   45    49    56    64  -0.50650  1.0 3.0
   45    49    56    68   0.09850  1.0 1.0
   45    49    56    68   0.15250 -1.0 2.0
   45    49    56    68  -0.50650  1.0 3.0
   45    49    57    58  -0.66100  1.0 1.0
   45    49    57    58   1.20850 -1.0 2.0
   45    49    57    58  -0.36000  1.0 3.0
   45    50    59    72   0.18050 -1.0 2.0
   45    50    59    79   0.18050 -1.0 2.0
   49    45    50    51   0.00000  1.0 1.0
   49    45    50    52   0.00000  1.0 1.0
   49    45    50    59   1.44450  1.0 1.0
   49    45    50    59   0.06600 -1.0 2.0
   49    45    50    59   0.29250  1.0 3.0
   49    56    64    65   0.15000  1.0 3.0
   49    56    64    66   0.15000  1.0 3.0
   49    56    64    67   0.15000  1.0 3.0
   49    56    68    69   0.15000  1.0 3.0
   49    56    68    70   0.15000  1.0 3.0
   49    56    68    71   0.15000  1.0 3.0
   56    33    37    38   0.15000  1.0 3.0
   56    33   -37    41  -0.95700  1.0 1.0
   56    33   -37    41  -0.18200 -1.0 2.0
   56    33   -37    41   0.29450  1.0 3.0
   56    33    37    43  -0.95700  1.0 1.0
   56    33    37    43  -0.18200 -1.0 2.0
   56    33    37    43   0.29450  1.0 3.0
   56    33    39    40  -0.11600  1.0 1.0
   56    33    39    40  -0.09450 -1.0 2.0
   56    33    39    40   0.21250  1.0 3.0
   56    49    57    58   2.00000 -1.0 2.0
   64    56    68    69   0.15000  1.0 3.0
   64    56    68    70   0.15000  1.0 3.0
   64    56    68    71   0.15000  1.0 3.0
   68    56    64    65   0.15000  1.0 3.0
   68    56    64    66   0.15000  1.0 3.0
   68    56    64    67   0.15000  1.0 3.0
   57    49    56    33   0.09700  1.0 1.0
   57    49    56    33   0.15600 -1.0 2.0
   57    49    56    33  -0.50800  1.0 3.0
   57    49    56    64   0.09700  1.0 1.0
   57    49    56    64   0.15600 -1.0 2.0
   57    49    56    64  -0.50800  1.0 3.0
   57    49    56    68   0.09700  1.0 1.0
   57    49    56    68   0.15600 -1.0 2.0
   57    49    56    68  -0.50800  1.0 3.0
   50    45    49    56   7.00000 -1.0 2.0
   50    45    49    57   7.00000 -1.0 2.0
   50    59    72    73   3.62500 -1.0 2.0
   50    59    72    74   3.62500 -1.0 2.0
   50    59    79    77   3.62500 -1.0 2.0
   50    59    79    83   3.62500 -1.0 2.0
   51    50    59    72   0.00000  1.0 1.0
   51    50    59    79   0.00000  1.0 1.0
   52    50    59    72   0.00000  1.0 1.0
   52    50    59    79   0.00000  1.0 1.0
   59    72    73    76   3.62500 -1.0 2.0
   59    72    73   101   3.62500 -1.0 2.0
   59    72    74    75   0.84100 -1.0 2.0
   59    79    83    84   0.84100 -1.0 2.0
   72    59    79    77   3.62500 -1.0 2.0
   72    59    79    83   3.62500 -1.0 2.0
   72    73   -76    77   3.62500 -1.0 2.0
   72    73    76    78   3.62500 -1.0 2.0
   72    73   101    88   0.15800  1.0 1.0
   72    73   101    88   1.85350 -1.0 2.0
   72    73   101    88  -0.48700  1.0 3.0
   72    73   101   102   0.56550  1.0 3.0
   73    72    74    75   0.84100 -1.0 2.0
   73    76    77    79   3.62500 -1.0 2.0
   73    76    77    80   3.62500 -1.0 2.0
   73    76    78    82   1.63200 -1.0 2.0
   76    73   101    88   0.15800  1.0 1.0
   76    73   101    88   1.85350 -1.0 2.0
   76    73   101    88  -0.48700  1.0 3.0
   76    73   101   102   0.56550  1.0 3.0
   76    77   -79    59   3.62500 -1.0 2.0
   76    77    79    83   3.62500 -1.0 2.0
   76    77    80    81   1.05000 -1.0 2.0
   76    77    80    85   2.26350  1.0 1.0
   76    77    80    85   0.76750 -1.0 2.0
   76    77    80    85   0.22500  1.0 3.0
   76    78   -82    88  -0.25600  1.0 1.0
   76    78   -82    88  -0.40050 -1.0 2.0
   76    78   -82    88   0.34700  1.0 3.0
   76    78    82    90  -0.32850  1.0 1.0
   76    78    82    90  -0.35800 -1.0 2.0
   76    78    82    90   0.33950  1.0 3.0
   76    78    82    94  -0.32850  1.0 1.0
   76    78    82    94  -0.35800 -1.0 2.0
   76    78    82    94   0.33950  1.0 3.0
   77    76    78    82   1.63200 -1.0 2.0
   77    79    83    84   0.84100 -1.0 2.0
   77    80    85    86   0.00000  1.0 1.0
   77    80    85    87   0.00000  1.0 1.0
   77    80    85    98   0.05850 -1.0 2.0
   77    80    85    98   0.17250  1.0 3.0
   79    59   -72    73   3.62500 -1.0 2.0
   79    59    72    74   3.62500 -1.0 2.0
   79    77    80    81   1.05000 -1.0 2.0
   79    77    80    85   2.26350  1.0 1.0
   79    77    80    85   0.76750 -1.0 2.0
   79    77    80    85   0.22500  1.0 3.0
   80    77    79    59   3.62500 -1.0 2.0
   80    77    79    83   3.62500 -1.0 2.0
   80    85    98    99  -0.11250  1.0 3.0
   80    85    98   100  -0.11250  1.0 3.0
   80    85    98   103  -0.95700  1.0 1.0
   80    85    98   103  -0.18200 -1.0 2.0
   80    85    98   103   0.29450  1.0 3.0
   81    80    85    86   0.00000  1.0 1.0
   81    80    85    87   0.00000  1.0 1.0
   81    80    85    98   0.30150 -1.0 2.0
   85    98   103   104   0.15000  1.0 3.0
   85    98   103   105   0.15000  1.0 3.0
   85    98   103   106   0.15000  1.0 3.0
   86    85    98    99   0.15000  1.0 3.0
   86    85    98   100   0.15000  1.0 3.0
   86    85    98   103   0.15000  1.0 3.0
   87    85    98    99   0.15000  1.0 3.0
   87    85    98   100   0.15000  1.0 3.0
   87    85    98   103   0.15000  1.0 3.0
   99    98   103   104   0.15000  1.0 3.0
   99    98   103   105   0.15000  1.0 3.0
   99    98   103   106   0.15000  1.0 3.0
  100    98   103   104   0.15000  1.0 3.0
  100    98   103   105   0.15000  1.0 3.0
  100    98   103   106   0.15000  1.0 3.0
   78    76    77    79   3.62500 -1.0 2.0
   78    76    77    80   3.62500 -1.0 2.0
   78    82    88    89   0.00000  1.0 1.0
   78    82    88   101   0.39000  1.0 1.0
   78    82    88   101  -0.05800 -1.0 2.0
   78    82    88   101  -0.55150  1.0 3.0
   78    82    90    91   0.23400  1.0 3.0
   78    82    90    92   0.23400  1.0 3.0
   78    82    90    93   0.23400  1.0 3.0
   78    82    94    95   0.23400  1.0 3.0
   78    82    94    96   0.23400  1.0 3.0
   78    82    94    97   0.23400  1.0 3.0
   82    88  -101    73   7.00000 -1.0 2.0
   82    88   101   102   7.00000 -1.0 2.0
   88    82    90    91   0.15000  1.0 3.0
   88    82    90    92   0.15000  1.0 3.0
   88    82    90    93   0.15000  1.0 3.0
   88    82    94    95   0.15000  1.0 3.0
   88    82    94    96   0.15000  1.0 3.0
   88    82    94    97   0.15000  1.0 3.0
   89    88   101    73   7.00000 -1.0 2.0
   89    88   101   102   7.00000 -1.0 2.0
  101    73    76    77   3.62500 -1.0 2.0
  101    73   -76    78   3.62500 -1.0 2.0
   90    82    88    89   0.00000  1.0 1.0
   90    82    88   101   0.09850  1.0 1.0
   90    82    88   101   0.15250 -1.0 2.0
   90    82    88   101  -0.50650  1.0 3.0
   90    82    94    95   0.15000  1.0 3.0
   90    82    94    96   0.15000  1.0 3.0
   90    82    94    97   0.15000  1.0 3.0
   94    82    88    89   0.00000  1.0 1.0
   94    82    88   101   0.09850  1.0 1.0
   94    82    88   101   0.15250 -1.0 2.0
   94    82    88   101  -0.50650  1.0 3.0
   94    82    90    91   0.15000  1.0 3.0
   94    82    90    92   0.15000  1.0 3.0
   94    82    90    93   0.15000  1.0 3.0
   74    72    73    76   3.62500 -1.0 2.0
   74    72    73   101   3.62500 -1.0 2.0
   43    37    41    42   0.30150 -1.0 2.0
   43    37    41    45   0.65300  1.0 1.0
   43    37    41    45  -0.03850 -1.0 2.0
   43    37    41    45   0.33900  1.0 3.0
   43    46    53    54  -0.11250  1.0 3.0
   43    46    53    55  -0.11250  1.0 3.0
   43    46    53    60  -0.95700  1.0 1.0
   43    46    53    60  -0.18200 -1.0 2.0
   43    46    53    60   0.29450  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   44    43    46    53   0.30150 -1.0 2.0
   46    53    60    61   0.15000  1.0 3.0
   46    53    60    62   0.15000  1.0 3.0
   46    53    60    63   0.15000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    60   0.15000  1.0 3.0
   48    46    53    54   0.15000  1.0 3.0
   48    46    53    55   0.15000  1.0 3.0
   48    46    53    60   0.15000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    63   0.15000  1.0 3.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    41  -0.09450  1.0 1.0
   39    33    37    41  -1.12950 -1.0 2.0
   39    33    37    41   0.54000  1.0 3.0
   39    33    37    43  -0.09450  1.0 1.0
   39    33    37    43  -1.12950 -1.0 2.0
   39    33    37    43   0.54000  1.0 3.0
   39    33    56    49   1.05650  1.0 1.0
   39    33    56    49   0.15600 -1.0 2.0
   39    33    56    49   0.53150  1.0 3.0
   39    33    56    64   0.86500  1.0 1.0
   39    33    56    64  -0.17500 -1.0 2.0
   39    33    56    64   0.20800  1.0 3.0
   39    33    56    68   0.86500  1.0 1.0
   39    33    56    68  -0.17500 -1.0 2.0
   39    33    56    68   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    45    41    42  10.50000 -1.0 2.0
   41    50    45    49   1.10000 -1.0 2.0
   56    57    49    45   1.10000 -1.0 2.0
   72    79    59    50   4.00000 -1.0 2.0
   73    74    72    59   4.00000 -1.0 2.0
   76   101    73    72   4.00000 -1.0 2.0
   77    78    76    73   4.00000 -1.0 2.0
   79    80    77    76   4.00000 -1.0 2.0
   77    83    79    59   4.00000 -1.0 2.0
   77    85    80    81  10.50000 -1.0 2.0
   82    89    88   101   1.10000 -1.0 2.0
   73   102   101    88   1.10000 -1.0 2.0
   37    46    43    44  10.50000 -1.0 2.0
END
