* LIGAND DATABASE FILE (OPLS2005)
*
001     108   110    202    292     581
    1     0 S   NP   _N1_     1    28.34470    96.11573   -20.16580
    2     1 S   H    _HN1     2     1.02775    80.63608   -61.34255
    3     1 S   H    _H1_     3     1.02970    88.37990    47.52124
    4     1 S   H    _H2_     4     1.02834    40.58086   166.46455
    5     1 S   CT   _CA1     5     1.50126   150.86818   179.15142
    6     5 S   HC   _HA1     6     1.09577   105.24270    50.34221
    7     5 S   CO3  _C1_     7     1.53792   112.32528   -69.82171
    8     7 S   O2Z  _O11     8     1.26346   115.00885   -44.78458
    9     7 S   O2Z  _O12     9     1.26242   114.90157   134.32492
   10     5 S   CT   _CB1    10     1.53077   107.39197   168.17043
   11    10 S   HC   HB11    11     1.09817   109.28988   -51.32613
   12    10 S   HC   HB12    12     1.09831   110.41094    65.19079
   13    10 S   CT   _CG1    13     1.53008   112.71888  -172.53952
   14    13 S   HC   HG11    14     1.09603   110.22833   -62.48198
   15    13 S   HC   HG12    15     1.09626   110.20887    56.73504
   16    13 S   C    _CD1    16     1.51813   112.16045   176.91466
   17    16 S   O    _OE1    17     1.22737   123.17485   -11.79121
   18    16 S   N    _N2_    18     1.38577   111.72745   168.84451
   19    18 S   H    _HN2    19     1.01588   119.01759     1.52906
   20    18 S   CT1  _CA2    20     1.46184   123.36667  -176.66628
   21    20 S   HC   _HA2    21     1.09680   109.27875   -15.68974
   22    20 S   C    _C2_    22     1.53099   107.77197  -131.23775
   23    22 S   O    _O2_    23     1.22962   122.67907  -135.82391
   24    20 S   CT   _CB2    32     1.53213   111.26689   106.43504
   25    24 S   HC   HB21    33     1.09587   109.76427    50.83072
   26    24 S   HC   HB22    34     1.09311   110.78104   169.84278
   27    22 S   N    _N3_    24     1.38603   112.84762    51.07090
   28    27 S   H    _HN3    25     1.01523   119.03897    -1.06881
   29    24 S   S    _SG2    35     1.82431   111.32908   -70.60950
   30    27 S   CT   _CA3    26     1.45382   122.88956   173.46808
   31    30 S   HC   HA31    27     1.09552   108.67978    34.70435
   32    30 S   HC   HA32    28     1.09472   107.25355   151.75822
   33    29 S   CT   _C11    36     1.82522    99.04884   160.42691
   34    33 S   HC   _H8_    37     1.09448   105.91845   -51.83826
   35    30 S   CO3  _C3_    29     1.53066   113.64102   -88.17837
   36    35 S   O2Z  _O31    30     1.26366   115.79879   -33.78450
   37    35 S   O2Z  _O32    31     1.26408   114.71094   147.07345
   38    33 S   CM   _C12    38     1.51958   111.00414  -169.84807
   39    33 S   OS   _O33    52     1.42620   114.46179    62.12323
   40    38 S   CT   _C8_    39     1.51780   114.76374   -92.04379
   41    40 S   HC   _H5_    40     1.09918   108.82974   132.93457
   42    38 S   CMA  _C13   102     1.36807   123.07500    87.04469
   43    42 S   OM   _O34   103     1.26950   125.48909   179.47661
   44    40 S   CT   _C7_    41     1.53068   115.09131  -104.44906
   45    44 S   HC   _H17    42     1.09534   111.74472   -78.80158
   46    44 S   HC   _H18    43     1.09737   111.87428    40.93869
   47    42 S   OS   _O35   104     1.41964   111.81449     0.70193
   48    44 S   CT   _C6_    44     1.53319   104.61567   161.62302
   49    48 S   HC   _H4_    45     1.09563   110.97587   102.45970
   50    47 S   CT   _C14   105     1.42829   113.43663  -132.17611
   51    50 S   HC   _H19   106     1.09407   107.73450   170.60322
   52    50 S   HC   _H20   107     1.09548   111.13258    52.44696
   53    50 S   HC   _H21   108     1.09465   111.02523   -71.36644
   54    48 S   CT   _C5_    46     1.54375   106.84827   -19.55886
   55    54 S   HC   _H3_    47     1.09701   111.54725  -126.64161
   56    48 S   OH   _O46   100     1.42219   109.80128  -138.55573
   57    56 S   HO   _H36   101     0.97258   107.31867   -59.07093
   58    40 S   CT   _C9_    48     1.53088   113.43799    12.93340
   59    58 S   HC   _H6_    49     1.09756   110.61414    75.33367
   60    54 S   CT   _C4_    96     1.53071   110.83286   113.57812
   61    60 S   HC   _H14    97     1.09471   112.08257   -57.32657
   62    60 S   HC   _H15    98     1.09508   110.55807  -177.87045
   63    60 S   HC   _H16    99     1.09521   110.42381    62.96449
   64    58 S   CO   _C10    50     1.54328   112.56791   -47.17491
   65    64 S   HC   _H7_    51     1.09593   109.09718   -86.15832
   66    64 S   OS   _O36    53     1.43652   107.06413   157.33201
   67    66 S   CO   _C15    54     1.43357   113.21261   168.56007
   68    67 S   HC   _H9_    55     1.09765   108.43322    57.68366
   69    67 S   CT   _C16    56     1.53412   107.69100   177.12064
   70    69 S   HC   _H10    57     1.09823   109.14806    55.18775
   71    69 S   CT   _C17    58     1.53632   110.57321   176.72517
   72    71 S   HC   _H11    59     1.09785   109.31165    71.99176
   73    69 S   OS   _O44    89     1.44748   108.21555   -64.31438
   74    71 S   CT   _C18    60     1.53623   111.15386   -50.30847
   75    74 S   HC   _H12    61     1.09819   109.14701   -70.49313
   76    71 S   OS   _O42    82     1.44808   107.47098  -169.19493
   77    73 S   CO4  _C27    90     1.36274   117.73410   144.80308
   78    77 S   O    _O45    91     1.22342   126.55108    -1.49685
   79    74 S   CT   _C19    62     1.53311   110.38728    49.81068
   80    79 S   HC   _H13    63     1.09849   111.04690    64.73598
   81    74 S   OS   _O40    75     1.44451   109.11962   168.23876
   82    76 S   CO4  _C25    83     1.36171   118.23102  -138.44013
   83    82 S   O    _O43    84     1.22292   126.57147    -1.74619
   84    77 S   CT   _C28    92     1.49766   109.66491   179.11397
   85    84 S   HC   _H33    93     1.09376   109.34980  -170.71031
   86    84 S   HC   _H34    94     1.09190   109.65664    69.91020
   87    84 S   HC   _H35    95     1.09270   109.94734   -52.22051
   88    67 S   OS   _O37    64     1.42811   110.95802   -63.64987
   89    79 S   CT   _C20    65     1.53124   111.62306  -174.40108
   90    89 S   HC   _H22    66     1.09654   110.34310    67.02734
   91    89 S   HC   _H23    67     1.09519   111.10309   -55.27642
   92    81 S   CO4  _C23    76     1.36231   118.02475   101.62089
   93    92 S   O    _O41    77     1.22291   126.57367     0.05935
   94    82 S   CT   _C26    85     1.49818   109.39873   178.70155
   95    94 S   HC   _H30    86     1.09298   109.82862   -59.91689
   96    94 S   HC   _H31    87     1.09376   109.36334  -178.89394
   97    94 S   HC   _H32    88     1.09287   109.80448    61.99700
   98    89 S   OS   _O38    68     1.44054   108.03516  -174.18533
   99    92 S   CT   _C24    78     1.49831   109.41673  -179.65226
  100    99 S   HC   _H27    79     1.09292   109.83539   -60.25483
  101    99 S   HC   _H28    80     1.09377   109.36140  -179.26325
  102    99 S   HC   _H29    81     1.09288   109.81155    61.66518
  103    98 S   CO4  _C21    69     1.36203   115.62649  -175.29855
  104   103 S   O    _O39    70     1.22328   126.24273    -1.26733
  105   103 S   CT   _C22    71     1.49838   109.56753   178.70472
  106   105 S   HC   _H24    72     1.09304   109.81663   -60.72622
  107   105 S   HC   _H25    73     1.09378   109.36193  -179.74977
  108   105 S   HC   _H26    74     1.09288   109.83992    61.17762
  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   7   5   4   3
  13   5   2   1   1  15   9  18   9   8   2  12   6   5   4  12
   6   3   2   1   1  12   8   3   1   9   4   4   2   1   1   6
   2   8  13   6  14   7  15   7   9  14   7   8   5   4   9   6
   8   5   4   3   2   1   1   4   6   3   2   5   4   3   2   1
   1   6   3   2   1   1   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    64    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    58    64    65    39    66    42    43    47  
   38    40    64    39    42  
   36    37  
   37  
    0  
   40    41    44    45    46    48    54    58    59    64    39    42    43    47    50  
   66    67    42    40    54    58    59    64    65  
   41    44    45    46    48    49    54    55    58    59    64    65    66    60    56    42    43    47  
   44    45    46    48    54    58    59    64    42  
   43    47    50    51    52    53    44    58  
   47    50  
   45    46    48    49    54    55    58    59    64    60    56    57  
   46    48    49    54    58    56  
   48    49    54    58    56  
   50    51    52    53  
   49    54    55    58    59    64    60    61    62    63    56    57  
   54    55    58    60    56    57  
   51    52    53  
   52    53  
   53  
    0  
   55    58    59    64    65    66    60    61    62    63    56    57  
   58    59    64    60    61    62    63    56  
   57    58    60  
    0  
   59    64    65    66    67    60    61    62    63  
   64    65    66    60  
   61    62    63    64  
   62    63  
   63  
    0  
   65    66    67    68    69    88  
   66    67  
   67    68    69    70    71    79    88    73  
   68    69    70    71    72    74    79    80    88    89    76    73    77  
   69    70    71    79    88    73  
   70    71    72    74    75    79    88    81    76    82    73    77    78    84  
   71    72    74    88    76    73    77  
   72    74    75    79    80    88    89    81    92    76    82    83    94    73    77  
   74    75    79    81    76    82    73  
   77    78    84    85    86    87    74    76    88  
   75    79    80    88    89    90    91    98    81    92    93    99    76    82  
   79    80    88    89    81    92    76  
   82    83    94    95    96    97    79    81  
   78    84    85    86    87  
   84    85    86    87  
   80    88    89    90    91    98   103    81    92  
   88    89    90    91    98    81  
   92    93    99   100   101   102    88    89  
   83    94    95    96    97  
   94    95    96    97  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91    98  
   90    91    98   103   104   105  
   91    98   103  
   98   103  
   93    99   100   101   102  
   99   100   101   102  
   95    96    97  
   96    97  
   97  
    0  
  103   104   105   106   107   108  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107   108  
  105   106   107   108  
  106   107   108  
  107   108  
  108  
    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   0.387900   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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  104   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  108   2.4200   0.0150   0.060000   1.3810   1.2100   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    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   317.000  1.510
   33    39   320.000  1.410
   38    40   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    58   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    56   320.000  1.410
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    60   268.000  1.529
   58    59   340.000  1.090
   58    64   250.000  1.527
   64    65   340.000  1.090
   64    39   320.000  1.380
   64    66   320.000  1.380
   66    67   320.000  1.380
   67    68   340.000  1.090
   67    69   250.000  1.527
   67    88   320.000  1.380
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    73   320.000  1.410
   71    72   340.000  1.090
   71    74   268.000  1.529
   71    76   320.000  1.410
   74    75   340.000  1.090
   74    79   268.000  1.529
   74    81   320.000  1.410
   79    80   340.000  1.090
   79    88   320.000  1.410
   79    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    98   320.000  1.410
   98   103   214.000  1.327
  103   104   570.000  1.229
  103   105   317.000  1.522
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   81    92   214.000  1.327
   92    93   570.000  1.229
   92    99   317.000  1.522
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   76    82   214.000  1.327
   82    83   570.000  1.229
   82    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   73    77   214.000  1.327
   77    78   570.000  1.229
   77    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   56    57   553.000  0.945
   42    43   745.000  1.250
   42    47   440.000  1.360
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
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  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    64    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    44    70.00000  112.02700
   38    40    58    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    47    80.00000  120.01400
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    58    54    58.35000  112.70000
   40    58    59    37.50000  110.70000
   40    58    64    75.00000  109.43000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    54    58.35000  112.70000
   44    48    56    50.00000  109.50000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    58    58.35000  112.70000
   48    54    60    58.35000  112.70000
   48    56    57    55.00000  108.50000
   54    48    49    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    64    75.00000  109.43000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   58    40    41    37.50000  110.70000
   58    40    44    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    64    65    45.00000  112.01100
   58    64    39    90.00000  108.56700
   58    64    66    90.00000  108.56700
   64    58    59    45.00000  108.72000
   64    66    67   100.00000  109.58800
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    64    65    35.00000  109.50000
   66    64    65    35.00000  109.50000
   66    64    39    92.60000  111.55000
   66    67    68    35.00000  109.50000
   66    67    69    90.00000  108.56700
   66    67    88    92.60000  111.55000
   67    69    70    45.00000  108.72000
   67    69    71    75.00000  109.43000
   67    69    73    90.00000  109.38000
   67    88    79    60.00000  109.50000
   69    67    68    45.00000  112.01100
   69    71    72    37.50000  110.70000
   69    71    74    58.35000  112.70000
   69    71    76    50.00000  109.50000
   69    73    77    83.00000  116.90000
   71    69    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    79    58.35000  112.70000
   71    74    81    50.00000  109.50000
   71    76    82    83.00000  116.90000
   74    71    72    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    88    50.00000  109.50000
   74    79    89    58.35000  112.70000
   74    81    92    83.00000  116.90000
   79    74    75    37.50000  110.70000
   79    89    90    37.50000  110.70000
   79    89    91    37.50000  110.70000
   79    89    98    50.00000  109.50000
   88    67    68    35.00000  109.50000
   88    67    69    90.00000  108.56700
   88    79    80    35.00000  109.50000
   89    79    80    37.50000  110.70000
   89    79    88    50.00000  109.50000
   89    98   103    83.00000  116.90000
   91    89    90    33.00000  107.80000
   98    89    90    35.00000  109.50000
   98    89    91    35.00000  109.50000
   98   103   104    83.00000  123.40000
   98   103   105    81.00000  111.40000
  103   105   106    35.00000  109.50000
  103   105   107    35.00000  109.50000
  103   105   108    35.00000  109.50000
  105   103   104    80.00000  120.40000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   81    74    75    35.00000  109.50000
   81    74    79    50.00000  109.50000
   81    92    93    83.00000  123.40000
   81    92    99    81.00000  111.40000
   92    99   100    35.00000  109.50000
   92    99   101    35.00000  109.50000
   92    99   102    35.00000  109.50000
   99    92    93    80.00000  120.40000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    74    50.00000  109.50000
   76    82    83    83.00000  123.40000
   76    82    94    81.00000  111.40000
   82    94    95    35.00000  109.50000
   82    94    96    35.00000  109.50000
   82    94    97    35.00000  109.50000
   94    82    83    80.00000  120.40000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    71    50.00000  109.50000
   73    77    78    83.00000  123.40000
   73    77    84    81.00000  111.40000
   77    84    85    35.00000  109.50000
   77    84    86    35.00000  109.50000
   77    84    87    35.00000  109.50000
   84    77    78    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   56    48    49    35.00000  109.50000
   56    48    54    50.00000  109.50000
   42    38    40    70.00000  124.00000
   42    47    50    90.00000  111.18400
   47    42    43    65.00000  121.00000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    64   0.14700  1.0 1.0
   29    33    39    64  -1.16150 -1.0 2.0
   29    33    39    64   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    44   0.46850  1.0 1.0
   33    38    40    44   0.08550 -1.0 2.0
   33    38    40    44   0.09800  1.0 3.0
   33    38    40    58   0.46850  1.0 1.0
   33    38    40    58   0.08550 -1.0 2.0
   33    38    40    58   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    64   0.37050  1.0 3.0
   38    33    39    64  -0.77900  1.0 1.0
   38    33    39    64  -0.36900 -1.0 2.0
   38    33    39    64   0.40400  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    48   0.34400  1.0 1.0
   38    40    44    48   0.09450 -1.0 2.0
   38    40    44    48   0.11100  1.0 3.0
   38    40    58    54   0.34400  1.0 1.0
   38    40    58    54   0.09450 -1.0 2.0
   38    40    58    54   0.11100  1.0 3.0
   38    40    58    59   0.15000  1.0 3.0
   38    40   -58    64   0.34400  1.0 1.0
   38    40   -58    64   0.09450 -1.0 2.0
   38    40   -58    64   0.11100  1.0 3.0
   38    42    47    50  -2.26850  1.0 1.0
   38    42    47    50   3.39050 -1.0 2.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    47   7.00000 -1.0 2.0
   40    44    48    49   0.15000  1.0 3.0
   40    44   -48    54   0.56750  1.0 1.0
   40    44   -48    54  -0.07550 -1.0 2.0
   40    44   -48    54   0.20000  1.0 3.0
   40    44    48    56   0.86500  1.0 1.0
   40    44    48    56  -0.17500 -1.0 2.0
   40    44    48    56   0.20800  1.0 3.0
   40    58    64    65   0.15000  1.0 3.0
   40    58    64    39   0.62750  1.0 1.0
   40    58    64    39  -0.30950 -1.0 2.0
   40    58    64    39   0.27300  1.0 3.0
   40    58    64    66   0.62750  1.0 1.0
   40    58    64    66  -0.30950 -1.0 2.0
   40    58    64    66   0.27300  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    58    54   0.15000  1.0 3.0
   41    40    58    59   0.15000  1.0 3.0
   41    40    58    64   0.15000  1.0 3.0
   44    40   -58    54   0.56750  1.0 1.0
   44    40   -58    54  -0.07550 -1.0 2.0
   44    40   -58    54   0.20000  1.0 3.0
   44    40    58    59   0.15000  1.0 3.0
   44    40    58    64   3.97050  1.0 1.0
   44    48    54    55   0.15000  1.0 3.0
   44    48   -54    58   0.56750  1.0 1.0
   44    48   -54    58  -0.07550 -1.0 2.0
   44    48   -54    58   0.20000  1.0 3.0
   44    48    54    60   0.56750  1.0 1.0
   44    48    54    60  -0.07550 -1.0 2.0
   44    48    54    60   0.20000  1.0 3.0
   44    48    56    57  -0.11600  1.0 1.0
   44    48    56    57  -0.09450 -1.0 2.0
   44    48    56    57   0.21250  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    54   0.15000  1.0 3.0
   45    44    48    56   0.23400  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    54   0.15000  1.0 3.0
   46    44    48    56   0.23400  1.0 3.0
   48    54   -58    40   0.56750  1.0 1.0
   48    54   -58    40  -0.07550 -1.0 2.0
   48    54   -58    40   0.20000  1.0 3.0
   48    54    58    59   0.15000  1.0 3.0
   48    54    58    64   3.97050  1.0 1.0
   48    54    60    61   0.15000  1.0 3.0
   48    54    60    62   0.15000  1.0 3.0
   48    54    60    63   0.15000  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    58   0.15000  1.0 3.0
   49    48    54    60   0.15000  1.0 3.0
   49    48    56    57   0.19450  1.0 3.0
   54    48    56    57  -0.11600  1.0 1.0
   54    48    56    57  -0.09450 -1.0 2.0
   54    48    56    57   0.21250  1.0 3.0
   54    58    64    65   0.15000  1.0 3.0
   54    58    64    39   0.62750  1.0 1.0
   54    58    64    39  -0.30950 -1.0 2.0
   54    58    64    39   0.27300  1.0 3.0
   54    58    64    66   0.62750  1.0 1.0
   54    58    64    66  -0.30950 -1.0 2.0
   54    58    64    66   0.27300  1.0 3.0
   55    54    58    40   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    64   0.15000  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   58    40    44    45   0.15000  1.0 3.0
   58    40    44    46   0.15000  1.0 3.0
   58    40   -44    48   0.56750  1.0 1.0
   58    40   -44    48  -0.07550 -1.0 2.0
   58    40   -44    48   0.20000  1.0 3.0
   58    54    60    61   0.15000  1.0 3.0
   58    54    60    62   0.15000  1.0 3.0
   58    54    60    63   0.15000  1.0 3.0
   58    64   -39    33   0.06250  1.0 1.0
   58    64   -39    33  -0.01100 -1.0 2.0
   58    64   -39    33   0.28050  1.0 3.0
   58    64    66    67   0.06250  1.0 1.0
   58    64    66    67  -0.01100 -1.0 2.0
   58    64    66    67   0.28050  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    39   0.23400  1.0 3.0
   59    58    64    66   0.23400  1.0 3.0
   64    66    67    68   0.37050  1.0 3.0
   64    66    67    69   0.06250  1.0 1.0
   64    66    67    69  -0.01100 -1.0 2.0
   64    66    67    69   0.28050  1.0 3.0
   64    66    67    88  -0.53350  1.0 1.0
   64    66    67    88  -0.78350 -1.0 2.0
   64    66    67    88   0.33750  1.0 3.0
   65    64    39    33   0.37050  1.0 3.0
   65    64    66    67   0.37050  1.0 3.0
   39    33   -38    40   0.09700  1.0 1.0
   39    33   -38    40   0.15600 -1.0 2.0
   39    33   -38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    64    66    67  -0.53350  1.0 1.0
   39    64    66    67  -0.78350 -1.0 2.0
   39    64    66    67   0.33750  1.0 3.0
   66    64    39    33  -0.81800  1.0 1.0
   66    67    69    70   0.23400  1.0 3.0
   66    67    69    71   0.62750  1.0 1.0
   66    67    69    71  -0.30950 -1.0 2.0
   66    67    69    71   0.27300  1.0 3.0
   66    67    69    73   1.11900  1.0 1.0
   66    67    69    73  -1.16350 -1.0 2.0
   66    67    69    73  -0.34150  1.0 3.0
   66    67    88    79  -0.81800  1.0 1.0
   67    69    71    72   0.15000  1.0 3.0
   67    69    71    74   3.97050  1.0 1.0
   67    69    71    76   0.62750  1.0 1.0
   67    69    71    76  -0.30950 -1.0 2.0
   67    69    71    76   0.27300  1.0 3.0
   67    69    73    77  -0.25900  1.0 1.0
   67    69    73    77  -0.47000 -1.0 2.0
   67    69    73    77   0.11750  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    73   0.23400  1.0 3.0
   68    67    88    79   0.37050  1.0 3.0
   69    67    88    79   0.06250  1.0 1.0
   69    67    88    79  -0.01100 -1.0 2.0
   69    67    88    79   0.28050  1.0 3.0
   69    71    74    75   0.15000  1.0 3.0
   69    71   -74    79   0.56750  1.0 1.0
   69    71   -74    79  -0.07550 -1.0 2.0
   69    71   -74    79   0.20000  1.0 3.0
   69    71    74    81   0.62750  1.0 1.0
   69    71    74    81  -0.30950 -1.0 2.0
   69    71    74    81   0.27300  1.0 3.0
   69    71    76    82  -0.25900  1.0 1.0
   69    71    76    82  -0.47000 -1.0 2.0
   69    71    76    82   0.11750  1.0 3.0
   69    73    77    78   3.00000 -1.0 2.0
   69    73    77    84   1.63150  1.0 1.0
   69    73    77    84   2.92000 -1.0 2.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    74   0.15000  1.0 3.0
   70    69    71    76   0.23400  1.0 3.0
   70    69    73    77   0.08050  1.0 3.0
   71    69    73    77  -0.25900  1.0 1.0
   71    69    73    77  -0.47000 -1.0 2.0
   71    69    73    77   0.11750  1.0 3.0
   71    74    79    80   0.15000  1.0 3.0
   71    74    79    88   0.62750  1.0 1.0
   71    74    79    88  -0.30950 -1.0 2.0
   71    74    79    88   0.27300  1.0 3.0
   71    74    79    89   0.56750  1.0 1.0
   71    74    79    89  -0.07550 -1.0 2.0
   71    74    79    89   0.20000  1.0 3.0
   71    74    81    92  -0.25900  1.0 1.0
   71    74    81    92  -0.47000 -1.0 2.0
   71    74    81    92   0.11750  1.0 3.0
   71    76    82    83   3.00000 -1.0 2.0
   71    76    82    94   1.63150  1.0 1.0
   71    76    82    94   2.92000 -1.0 2.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    79   0.15000  1.0 3.0
   72    71    74    81   0.23400  1.0 3.0
   72    71    76    82   0.08050  1.0 3.0
   74    71    76    82  -0.25900  1.0 1.0
   74    71    76    82  -0.47000 -1.0 2.0
   74    71    76    82   0.11750  1.0 3.0
   74    79   -88    67   0.06250  1.0 1.0
   74    79   -88    67  -0.01100 -1.0 2.0
   74    79   -88    67   0.28050  1.0 3.0
   74    79    89    90   0.15000  1.0 3.0
   74    79    89    91   0.15000  1.0 3.0
   74    79    89    98   0.62750  1.0 1.0
   74    79    89    98  -0.30950 -1.0 2.0
   74    79    89    98   0.27300  1.0 3.0
   74    81    92    93   3.00000 -1.0 2.0
   74    81    92    99   1.63150  1.0 1.0
   74    81    92    99   2.92000 -1.0 2.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    88   0.23400  1.0 3.0
   75    74    79    89   0.15000  1.0 3.0
   75    74    81    92   0.08050  1.0 3.0
   79    74    81    92  -0.25900  1.0 1.0
   79    74    81    92  -0.47000 -1.0 2.0
   79    74    81    92   0.11750  1.0 3.0
   79    89    98   103  -0.25900  1.0 1.0
   79    89    98   103  -0.47000 -1.0 2.0
   79    89    98   103   0.11750  1.0 3.0
   80    79    88    67   0.37050  1.0 3.0
   80    79    89    90   0.15000  1.0 3.0
   80    79    89    91   0.15000  1.0 3.0
   80    79    89    98   0.23400  1.0 3.0
   88    67    69    70   0.23400  1.0 3.0
   88    67   -69    71   0.62750  1.0 1.0
   88    67   -69    71  -0.30950 -1.0 2.0
   88    67   -69    71   0.27300  1.0 3.0
   88    67    69    73   1.11900  1.0 1.0
   88    67    69    73  -1.16350 -1.0 2.0
   88    67    69    73  -0.34150  1.0 3.0
   88    79    89    90   0.23400  1.0 3.0
   88    79    89    91   0.23400  1.0 3.0
   88    79    89    98   1.11900  1.0 1.0
   88    79    89    98  -1.16350 -1.0 2.0
   88    79    89    98  -0.34150  1.0 3.0
   89    79    88    67   0.06250  1.0 1.0
   89    79    88    67  -0.01100 -1.0 2.0
   89    79    88    67   0.28050  1.0 3.0
   89    98   103   104   3.00000 -1.0 2.0
   89    98   103   105   1.63150  1.0 1.0
   89    98   103   105   2.92000 -1.0 2.0
   90    89    98   103   0.08050  1.0 3.0
   91    89    98   103   0.08050  1.0 3.0
   98   103   105   106   0.00000  1.0 1.0
   98   103   105   107   0.00000  1.0 1.0
   98   103   105   108   0.00000  1.0 1.0
  104   103   105   106   0.00000  1.0 1.0
  104   103   105   107   0.00000  1.0 1.0
  104   103   105   108   0.00000  1.0 1.0
   81    74    79    80   0.23400  1.0 3.0
   81    74    79    88   1.11900  1.0 1.0
   81    74    79    88  -1.16350 -1.0 2.0
   81    74    79    88  -0.34150  1.0 3.0
   81    74    79    89   0.62750  1.0 1.0
   81    74    79    89  -0.30950 -1.0 2.0
   81    74    79    89   0.27300  1.0 3.0
   81    92    99   100   0.00000  1.0 1.0
   81    92    99   101   0.00000  1.0 1.0
   81    92    99   102   0.00000  1.0 1.0
   93    92    99   100   0.00000  1.0 1.0
   93    92    99   101   0.00000  1.0 1.0
   93    92    99   102   0.00000  1.0 1.0
   76    71    74    75   0.23400  1.0 3.0
   76    71    74    79   0.62750  1.0 1.0
   76    71    74    79  -0.30950 -1.0 2.0
   76    71    74    79   0.27300  1.0 3.0
   76    71    74    81   1.11900  1.0 1.0
   76    71    74    81  -1.16350 -1.0 2.0
   76    71    74    81  -0.34150  1.0 3.0
   76    82    94    95   0.00000  1.0 1.0
   76    82    94    96   0.00000  1.0 1.0
   76    82    94    97   0.00000  1.0 1.0
   83    82    94    95   0.00000  1.0 1.0
   83    82    94    96   0.00000  1.0 1.0
   83    82    94    97   0.00000  1.0 1.0
   73    69    71    72   0.23400  1.0 3.0
   73    69    71    74   0.62750  1.0 1.0
   73    69    71    74  -0.30950 -1.0 2.0
   73    69    71    74   0.27300  1.0 3.0
   73    69    71    76   1.11900  1.0 1.0
   73    69    71    76  -1.16350 -1.0 2.0
   73    69    71    76  -0.34150  1.0 3.0
   73    77    84    85   0.00000  1.0 1.0
   73    77    84    86   0.00000  1.0 1.0
   73    77    84    87   0.00000  1.0 1.0
   78    77    84    85   0.00000  1.0 1.0
   78    77    84    86   0.00000  1.0 1.0
   78    77    84    87   0.00000  1.0 1.0
   60    54    58    40   0.56750  1.0 1.0
   60    54    58    40  -0.07550 -1.0 2.0
   60    54    58    40   0.20000  1.0 3.0
   60    54    58    59   0.15000  1.0 3.0
   60    54    58    64   3.97050  1.0 1.0
   56    48    54    55   0.23400  1.0 3.0
   56    48    54    58   0.86500  1.0 1.0
   56    48    54    58  -0.17500 -1.0 2.0
   56    48    54    58   0.20800  1.0 3.0
   56    48    54    60   0.86500  1.0 1.0
   56    48    54    60  -0.17500 -1.0 2.0
   56    48    54    60   0.20800  1.0 3.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    44   0.09850  1.0 1.0
   42    38    40    44   0.15250 -1.0 2.0
   42    38    40    44  -0.50650  1.0 3.0
   42    38    40    58   0.09850  1.0 1.0
   42    38    40    58   0.15250 -1.0 2.0
   42    38    40    58  -0.50650  1.0 3.0
   42    47    50    51   0.08050  1.0 3.0
   42    47    50    52   0.08050  1.0 3.0
   42    47    50    53   0.08050  1.0 3.0
   43    42    47    50   2.00000 -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
   33    40    38    42   1.10000 -1.0 2.0
   98   105   103   104  10.50000 -1.0 2.0
   81    99    92    93  10.50000 -1.0 2.0
   76    94    82    83  10.50000 -1.0 2.0
   73    84    77    78  10.50000 -1.0 2.0
   43    47    42    38   1.10000 -1.0 2.0
END
