* LIGAND DATABASE FILE (OPLS2005)
*
001     107   111    201    320     596
    1     0 S   NP   _N1_     1    28.15872    97.59624   -22.04501
    2     1 S   H    _HN1     2     1.02778   103.92280  -122.10461
    3     1 S   H    _H1_     3     1.02964    73.34620   -16.78011
    4     1 S   H    _H2_     4     1.02837    37.40845   136.53940
    5     1 S   CT   _CA1     5     1.50169   139.30290    85.30035
    6     5 S   HC   _HA1     6     1.09563   105.22554    89.69669
    7     5 S   CO3  _C1_     7     1.53800   112.31681   -30.59829
    8     7 S   O2Z  _O11     8     1.26381   114.96908   -41.47040
    9     7 S   O2Z  _O12     9     1.26217   115.06618   137.60945
   10     5 S   CT   _CB1    10     1.53115   107.40434  -152.16208
   11    10 S   HC   HB11    11     1.09829   109.56805   -47.68068
   12    10 S   HC   HB12    12     1.09814   110.33270    68.96015
   13    10 S   CT   _CG1    13     1.53011   112.64457  -168.59086
   14    13 S   HC   HG11    14     1.09573   110.56075   -63.20670
   15    13 S   HC   HG12    15     1.09645   109.79977    56.02287
   16    13 S   C    _CD1    16     1.51879   112.23937   176.64993
   17    16 S   O    _OE1    17     1.22747   123.22364     6.95003
   18    16 S   N    _N2_    18     1.38534   111.77660  -173.85133
   19    18 S   H    _HN2    19     1.01447   118.89945     6.98466
   20    18 S   CT1  _CA2    20     1.45794   123.09014   179.27019
   21    20 S   HC   _HA2    21     1.09715   109.03928    19.29035
   22    20 S   C    _C2_    22     1.52849   106.81360   -97.79920
   23    22 S   O    _O2_    23     1.22986   122.95238   -27.16743
   24    20 S   CT   _CB2    32     1.53216   112.37535   142.41763
   25    24 S   HC   HB21    33     1.09503   110.42776    56.00744
   26    24 S   HC   HB22    34     1.09532   109.90112   174.82653
   27    22 S   N    _N3_    24     1.38451   112.56934   155.69692
   28    27 S   H    _HN3    25     1.01660   120.36837    -2.35335
   29    24 S   S    _SG2    35     1.82427   111.23831   -65.04970
   30    27 S   CT   _CA3    26     1.45359   122.54612   178.47428
   31    30 S   HC   HA31    27     1.09565   107.83502   -55.29042
   32    30 S   HC   HA32    28     1.09559   107.60348    61.06799
   33    29 S   CT   _C20    36     1.82941    99.26443  -174.16763
   34    33 S   HC   _H3_    37     1.09406   104.53264    49.79580
   35    30 S   CO3  _C3_    29     1.52903   114.26031  -177.20901
   36    35 S   O2Z  _O31    30     1.26344   116.03188    -0.35498
   37    35 S   O2Z  _O32    31     1.26429   114.42287   179.61386
   38    33 S   CM   _C12    38     1.52840   111.15687   166.70372
   39    38 S   CT   _C19    39     1.53864   115.57899    91.55170
   40    39 S   HC   _H52    40     1.09800   109.24374   159.19434
   41    38 S   CMA  _C15   101     1.37022   122.56500   -90.43857
   42    41 S   OM   _O30   102     1.26967   125.53817  -178.16176
   43    39 S   CT   _C21    41     1.54794   110.12946    42.81469
   44    43 S   HC   _H54    42     1.09583   108.74301  -168.59856
   45    39 S   CT   _C29    74     1.55297   110.15580   -84.45018
   46    45 S   HC   _H64    75     1.09250   109.94226    63.54481
   47    45 S   HC   _H65    76     1.10050   108.79710   -50.50478
   48    41 S   OS   _O39   103     1.41961   111.81194     1.01645
   49    43 S   CO   _C26    43     1.53740   112.20238   -49.73412
   50    49 S   HC   _H59    44     1.09770   107.97228   170.89032
   51    43 S   CM   _C14    69     1.51878   110.71919    73.59540
   52    51 S   HC   _H46    70     1.08775   117.80760   -63.00243
   53    45 S   CT   _C18    77     1.54530   115.52326  -172.86969
   54    53 S   HC   _H51    78     1.09510   110.27507   -55.49206
   55    48 S   CT   _C28   104     1.42736   113.88100   137.40617
   56    55 S   HC   _H61   105     1.09403   107.75128  -170.79918
   57    55 S   HC   _H62   106     1.09475   111.02699    71.24941
   58    55 S   HC   _H63   107     1.09543   111.11594   -52.62061
   59    33 S   OS   _O33    45     1.43153   114.04330   -61.71100
   60    49 S   OS1  _O40    46     1.42956   109.19689   -72.14554
   61    51 S   CM   _C13    71     1.33844   123.87821   116.84018
   62    61 S   HC   _H44    72     1.08464   120.43204  -179.83098
   63    61 S   HC   _H45    73     1.08443   121.62490    -0.05595
   64    53 S   C5A  _C11    79     1.50167   111.31593  -174.04675
   65    60 S   CO1  _C27    47     1.42788   113.39310  -159.43534
   66    65 S   HC   _H60    48     1.09732   109.00622   -45.48070
   67    64 S   C5B  _C9_    80     1.37905   125.76505  -134.20450
   68    64 S   NA   _N28    91     1.36697   125.93922    50.46671
   69    68 S   H    _H68    92     1.01148   125.52750    -1.11065
   70    65 S   CT   _C24    49     1.53406   108.18586  -164.24377
   71    70 S   HC   _H57    50     1.09400   110.66365    58.55660
   72    67 S   C56B _C8_    81     1.42062   107.77155  -178.47389
   73    67 S   CT   _C16    93     1.48752   120.75650     1.30296
   74    73 S   HC   _H47    94     1.09666   109.10178   101.88209
   75    73 S   HC   _H48    95     1.09541   110.66843  -139.58730
   76    70 S   CT   _C22    51     1.52994   109.13528  -178.99322
   77    76 S   HC   _H55    52     1.09737   108.35844   -67.19387
   78    70 S   OH5  _O37    67     1.43050   109.84417   -57.75509
   79    78 S   HO   _H72    68     0.97401   106.79734  -172.06051
   80    72 S   CA   _C6_    82     1.40925   134.57259  -179.08914
   81    80 S   HA   _H42    83     1.08605   120.73076     0.46520
   82    73 S   CT   _C17    96     1.54444   109.80281   -18.50167
   83    82 S   HC   _H49    97     1.09559   109.16226   169.49790
   84    82 S   HC   _H50    98     1.09757   110.33298   -73.70059
   85    76 S   CT   _C23    53     1.53348   111.85054    52.76929
   86    85 S   HC   _H56    54     1.09589   109.87745  -173.24707
   87    76 S   OH5  _O35    65     1.42271   109.68953   175.90500
   88    87 S   HO   _H70    66     0.97262   107.84652   176.99730
   89    80 S   CA   _C4_    84     1.39994   119.26628  -179.62206
   90    89 S   HA   _H40    85     1.08680   119.53965  -179.83929
   91    53 S   NT   _N29    99     1.48558   109.62181    63.66585
   92    91 S   H    _H69   100     1.02078   108.87530    44.35076
   93    85 S   CT   _C25    55     1.53668   109.94326   -51.52996
   94    93 S   HC   _H58    56     1.09795   110.12625   -64.63526
   95    85 S   OH5  _O36    63     1.42804   110.54163    69.61743
   96    95 S   HO   _H71    64     0.97309   107.41754    44.71948
   97    89 S   CA   _C5_    86     1.39333   120.77641     0.23821
   98    97 S   HA   _H41    87     1.08731   119.72456   179.98022
   99    65 S   OS1  _O34    57     1.43209   111.39992    74.67281
  100    93 S   CT   _C30    58     1.52845   112.06415   173.71303
  101   100 S   HC   _H66    59     1.09435   111.06155    49.35818
  102   100 S   HC   _H67    60     1.09484   111.45581   -73.26022
  103    97 S   CA   _C7_    88     1.39733   121.01361     0.03956
  104   103 S   HA   _H43    89     1.08463   120.93195   179.75371
  105   100 S   OH5  _O38    61     1.42544   108.99674   168.05367
  106   105 S   HO   _H73    62     0.97242   106.97409   177.98627
  107    72 S   C56A _C10    90     1.39900   106.74905     1.50493
  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  20   9   9   2  15   8  12   5   4   4
  10   4   6   3  13   6   3   2   1   1   2   8   2   1   1  13
  13   6  15   9   3  12   7  12   9   5   4  13   7   4   1   7
   4   4   3   2  12   7   3   1   6   3   1   1   9   6   3   1
   4   3   4   4   3   2   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    59    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    49    50    59    60    45    41    42    48  
   38    39    49    59    41  
   36    37  
   37  
    0  
   39    40    43    44    49    59    51    45    46    47    53    41    42    48    55  
   40    43    44    49    50    59    60    51    52    61    45    46    47    53    54    64    91    41    42    48  
   43    44    49    51    45    46    47    53    41  
   42    48    55    56    57    58    43    45    59  
   48    55  
   44    49    50    59    60    65    51    52    61    62    63    45    46    47    53  
   49    50    59    60    51    52    61    45  
   46    47    53    54    64    67    68    82    91    92    49    51  
   47    53    54    64    91  
   53    54    64    91  
   55    56    57    58  
   50    59    60    65    66    70    99    51    52    61  
   59    60    65    51  
   52    61    62    63    59    60  
   61    62    63  
   54    64    67    72   107    68    69    73    82    83    84    91    92  
   64    67    68    82    91    92  
   56    57    58  
   57    58  
   58  
    0  
   60    65  
   65    66    70    71    76    93    99    78  
   62    63  
   63  
    0  
   67    72    80   103   107    68    69    73    74    75    82    91    92  
   66    70    71    76    77    85    93    94    99   100    87    78    79  
   70    71    76    93    99    78  
   72    80    81    89   103   107    68    69    73    74    75    82    83    84    91  
   69    73    91    72    80    97   103   104   107  
   72   103   107  
   71    76    77    85    86    93    99    95    87    88    78    79  
   76    77    85    99    87    78    79  
   80    81    89    90    97   103   104   107    73    74    75    82  
   74    75    82    83    84    91    92    80   107  
   75    82    83    84    91  
   82    83    84    91  
   77    85    86    93    94    99   100    95    96    87    88    78    79  
   85    86    93    95    87    88    78  
   79    85    87    99  
    0  
   81    89    90    97    98   103   107  
   89    90    97   107  
   83    84    91    92  
   84    91    92  
   91    92  
   86    93    94    99   100   101   102   105    95    96    87    88  
   93    94    99   100    95    96    87  
   88    93    95  
    0  
   90    97    98   103   104   107  
   97    98   103  
   92  
    0  
   94    99   100   101   102   105   106    95    96  
   99   100   101   102   105    95  
   96    99   100  
    0  
   98   103   104   107  
  103   104   107  
  100   101   102   105  
  101   102   105   106  
  102   105   106  
  105   106  
  104   107  
  107  
  106  
    0  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.255000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   68   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   69   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   82   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   91   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   92   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   99   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  100   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
  104   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
  105   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  106   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  107   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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    59   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    45   268.000  1.529
   43    44   340.000  1.090
   43    49   250.000  1.527
   43    51   317.000  1.510
   49    50   340.000  1.090
   49    59   320.000  1.380
   49    60   320.000  1.380
   60    65   370.000  1.399
   65    66   360.000  1.097
   65    70   255.000  1.525
   65    99   370.000  1.399
   70    71   340.000  1.090
   70    76   268.000  1.529
   70    78   355.000  1.421
   76    77   340.000  1.090
   76    85   268.000  1.529
   76    87   355.000  1.421
   85    86   340.000  1.090
   85    93   268.000  1.529
   85    95   355.000  1.421
   93    94   340.000  1.090
   93    99   335.000  1.422
   93   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   105   355.000  1.421
  105   106   580.000  0.967
   95    96   580.000  0.967
   87    88   580.000  0.967
   78    79   580.000  0.967
   51    52   340.000  1.080
   51    61   549.000  1.340
   61    62   340.000  1.080
   61    63   340.000  1.080
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    53   268.000  1.529
   53    54   340.000  1.090
   53    64   295.000  1.489
   53    91   382.000  1.448
   64    67   520.000  1.370
   64    68   427.000  1.381
   67    72   380.000  1.440
   67    73   295.000  1.494
   72    80   469.000  1.404
   72   107   447.000  1.419
   80    81   367.000  1.080
   80    89   469.000  1.400
   89    90   367.000  1.080
   89    97   469.000  1.400
   97    98   367.000  1.080
   97   103   469.000  1.400
  103   104   367.000  1.080
  103   107   469.000  1.400
  107    68   428.000  1.380
   68    69   434.000  1.010
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    91   382.000  1.448
   91    92   434.000  1.010
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    59    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    59    49    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    45    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    49    75.00000  109.43000
   39    43    51    70.00000  112.02700
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    53    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    49    50    45.00000  112.01100
   43    49    59    90.00000  108.56700
   43    49    60    90.00000  108.56700
   43    51    52    35.00000  117.00000
   43    51    61    70.00000  124.00000
   49    43    44    45.00000  108.72000
   49    60    65    90.00000  112.10700
   59    33    34    35.00000  109.50000
   59    33    38    85.00000  110.90400
   59    49    50    35.00000  109.50000
   60    49    50    35.00000  109.50000
   60    49    59    92.60000  111.55000
   60    65    66    60.00000  105.75400
   60    65    70    90.00000  109.70700
   60    65    99   110.00000  113.16000
   65    70    71    45.00000  109.54000
   65    70    76    70.00000  111.10000
   65    70    78    90.00000  109.42000
   65    99    93    90.00000  112.10700
   70    65    66    45.00000  111.65000
   70    76    77    37.50000  110.70000
   70    76    85    58.35000  112.70000
   70    76    87    90.00000  111.45300
   70    78    79    65.00000  108.53500
   76    70    71    37.50000  110.70000
   76    85    86    37.50000  110.70000
   76    85    93    58.35000  112.70000
   76    85    95    90.00000  111.45300
   76    87    88    65.00000  108.53500
   85    76    77    37.50000  110.70000
   85    93    94    37.50000  110.70000
   85    93    99    95.00000  107.88500
   85    93   100    58.35000  112.70000
   85    95    96    65.00000  108.53500
   93    85    86    37.50000  110.70000
   93   100   101    37.50000  110.70000
   93   100   102    37.50000  110.70000
   93   100   105    90.00000  111.45300
   99    65    66    60.00000  105.75400
   99    65    70    90.00000  109.70700
   99    93    94    55.00000  108.98800
  100    93    94    37.50000  110.70000
  100    93    99    95.00000  107.88500
  100   105   106    65.00000  108.53500
  102   100   101    33.00000  107.80000
  105   100   101    60.00000  109.39000
  105   100   102    60.00000  109.39000
   95    85    86    60.00000  109.39000
   95    85    93    90.00000  111.45300
   87    76    77    60.00000  109.39000
   87    76    85    90.00000  111.45300
   78    70    71    60.00000  109.39000
   78    70    76    90.00000  111.45300
   51    43    44    35.00000  109.50000
   51    43    49    70.00000  112.02700
   51    61    62    35.00000  120.00000
   51    61    63    35.00000  120.00000
   61    51    52    35.00000  120.00000
   63    61    62    35.00000  117.00000
   45    39    40    37.50000  110.70000
   45    39    43    58.35000  112.70000
   45    53    54    37.50000  110.70000
   45    53    64    70.00000  113.44400
   45    53    91    56.20000  109.47000
   47    45    46    33.00000  107.80000
   53    45    46    37.50000  110.70000
   53    45    47    37.50000  110.70000
   53    64    67    55.00000  130.44200
   53    64    68    65.00000  122.56900
   53    91    82    51.80000  107.20000
   53    91    92    35.00000  109.50000
   64    53    54    45.00000  110.47400
   64    67    72    80.00000  105.82900
   64    67    73    55.00000  127.77900
   64    68   107    90.00000  107.14200
   64    68    69    35.00000  120.00000
   67    72    80    50.00000  134.85500
   67    72   107    80.00000  107.43600
   67    73    74    45.00000  111.11700
   67    73    75    45.00000  111.11700
   67    73    82    70.00000  112.62400
   72    80    81    35.00000  120.00000
   72    80    89    63.00000  120.00000
   72   107   103    85.00000  122.70000
   72   107    68    70.00000  104.40000
   80    89    90    35.00000  120.00000
   80    89    97    63.00000  120.00000
   89    80    81    35.00000  120.00000
   89    97    98    35.00000  120.00000
   89    97   103    63.00000  120.00000
   97    89    90    35.00000  120.00000
   97   103   104    35.00000  120.00000
   97   103   107    85.00000  120.00000
  103    97    98    35.00000  120.00000
  103   107    68    70.00000  132.80000
  107    72    80    85.00000  116.20000
  107   103   104    35.00000  120.00000
  107    68    69    35.00000  123.10000
   68    64    67    70.00000  106.30000
   73    67    72    55.00000  128.73000
   73    82    83    37.50000  110.70000
   73    82    84    37.50000  110.70000
   73    82    91    56.20000  109.47000
   75    73    74    33.00000  107.80000
   82    73    74    37.50000  110.70000
   82    73    75    37.50000  110.70000
   82    91    92    35.00000  109.50000
   84    82    83    33.00000  107.80000
   91    53    54    35.00000  109.50000
   91    53    64    75.00000  112.58000
   91    82    83    35.00000  109.50000
   91    82    84    35.00000  109.50000
   41    38    39    70.00000  124.00000
   41    48    55    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    59   0.13850  1.0 1.0
   24    29    33    59  -1.34450 -1.0 2.0
   24    29    33    59   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    59    49   0.14700  1.0 1.0
   29    33    59    49  -1.16150 -1.0 2.0
   29    33    59    49   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.46850  1.0 1.0
   33    38    39    43   0.08550 -1.0 2.0
   33    38    39    43   0.09800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    59    49   0.37050  1.0 3.0
   38    33    59    49  -0.77900  1.0 1.0
   38    33    59    49  -0.36900 -1.0 2.0
   38    33    59    49   0.40400  1.0 3.0
   38    39    43    44   0.15000  1.0 3.0
   38    39   -43    49   0.34400  1.0 1.0
   38    39   -43    49   0.09450 -1.0 2.0
   38    39   -43    49   0.11100  1.0 3.0
   38    39    43    51   0.31000  1.0 1.0
   38    39    43    51   0.14700 -1.0 2.0
   38    39    43    51   0.07550  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39    45    47   0.15000  1.0 3.0
   38    39    45    53   0.34400  1.0 1.0
   38    39    45    53   0.09450 -1.0 2.0
   38    39    45    53   0.11100  1.0 3.0
   38    41    48    55  -2.26850  1.0 1.0
   38    41    48    55   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    59   0.62750  1.0 1.0
   39    43    49    59  -0.30950 -1.0 2.0
   39    43    49    59   0.27300  1.0 3.0
   39    43    49    60   0.62750  1.0 1.0
   39    43    49    60  -0.30950 -1.0 2.0
   39    43    49    60   0.27300  1.0 3.0
   39    43    51    52   0.00000  1.0 1.0
   39    43    51    61   0.09850  1.0 1.0
   39    43    51    61   0.15250 -1.0 2.0
   39    43    51    61  -0.50650  1.0 3.0
   39    45    53    54   0.15000  1.0 3.0
   39    45    53    64  -0.03700  1.0 1.0
   39    45    53    64   0.37200 -1.0 2.0
   39    45    53    64  -0.47300  1.0 3.0
   39    45    53    91   1.53400  1.0 1.0
   39    45    53    91  -0.09950 -1.0 2.0
   39    45    53    91   0.05700  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    43    51   0.15000  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    53   0.15000  1.0 3.0
   43    39    45    46   0.15000  1.0 3.0
   43    39    45    47   0.15000  1.0 3.0
   43    39    45    53   0.56750  1.0 1.0
   43    39    45    53  -0.07550 -1.0 2.0
   43    39    45    53   0.20000  1.0 3.0
   43    49   -59    33   0.06250  1.0 1.0
   43    49   -59    33  -0.01100 -1.0 2.0
   43    49   -59    33   0.28050  1.0 3.0
   43    49    60    65   0.06250  1.0 1.0
   43    49    60    65  -0.01100 -1.0 2.0
   43    49    60    65   0.28050  1.0 3.0
   43    51    61    62   7.00000 -1.0 2.0
   43    51    61    63   7.00000 -1.0 2.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    59   0.23400  1.0 3.0
   44    43    49    60   0.23400  1.0 3.0
   44    43    51    52   0.33100  1.0 3.0
   44    43    51    61   0.00000  1.0 1.0
   49    43    51    52   0.00000  1.0 1.0
   49    43    51    61   0.09850  1.0 1.0
   49    43    51    61   0.15250 -1.0 2.0
   49    43    51    61  -0.50650  1.0 3.0
   49    60    65    66   0.37050  1.0 3.0
   49    60    65    70   0.06250  1.0 1.0
   49    60    65    70  -0.01100 -1.0 2.0
   49    60    65    70   0.28050  1.0 3.0
   49    60    65    99  -0.12700  1.0 1.0
   49    60    65    99  -1.16200 -1.0 2.0
   49    60    65    99   0.58800  1.0 3.0
   50    49    59    33   0.37050  1.0 3.0
   50    49    60    65   0.37050  1.0 3.0
   59    33   -38    39   0.09700  1.0 1.0
   59    33   -38    39   0.15600 -1.0 2.0
   59    33   -38    39  -0.50800  1.0 3.0
   59    33    38    41   0.39000  1.0 1.0
   59    33    38    41  -0.05800 -1.0 2.0
   59    33    38    41  -0.55150  1.0 3.0
   59    49    60    65  -0.53350  1.0 1.0
   59    49    60    65  -0.78350 -1.0 2.0
   59    49    60    65   0.33750  1.0 3.0
   60    49    59    33  -0.81800  1.0 1.0
   60    65    70    71   0.23400  1.0 3.0
   60    65    70    76   0.62750  1.0 1.0
   60    65    70    76  -0.30950 -1.0 2.0
   60    65    70    76   0.27300  1.0 3.0
   60    65    70    78   1.51850  1.0 1.0
   60    65    99    93  -0.70400  1.0 1.0
   60    65    99    93  -0.90350 -1.0 2.0
   65    70    76    77   0.15000  1.0 3.0
   65    70    76    85   0.56750  1.0 1.0
   65    70    76    85  -0.07550 -1.0 2.0
   65    70    76    85   0.20000  1.0 3.0
   65    70    76    87  -0.47750  1.0 1.0
   65    70    78    79   0.29150  1.0 1.0
   65    70    78    79  -0.28350 -1.0 2.0
   65    70    78    79   0.43600  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    76   0.15000  1.0 3.0
   66    65    70    78   0.23400  1.0 3.0
   66    65    99    93   0.37050  1.0 3.0
   70    65    99    93   0.06250  1.0 1.0
   70    65    99    93  -0.01100 -1.0 2.0
   70    65    99    93   0.28050  1.0 3.0
   70    76    85    86   0.15000  1.0 3.0
   70    76   -85    93   0.56750  1.0 1.0
   70    76   -85    93  -0.07550 -1.0 2.0
   70    76   -85    93   0.20000  1.0 3.0
   70    76    85    95  -0.47750  1.0 1.0
   70    76    87    88   0.29150  1.0 1.0
   70    76    87    88  -0.28350 -1.0 2.0
   70    76    87    88   0.43600  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    85   0.15000  1.0 3.0
   71    70    76    87   0.23400  1.0 3.0
   71    70    78    79   0.19450  1.0 3.0
   76    70    78    79   0.29150  1.0 1.0
   76    70    78    79  -0.28350 -1.0 2.0
   76    70    78    79   0.43600  1.0 3.0
   76    85    93    94   0.15000  1.0 3.0
   76    85    93    99   0.62750  1.0 1.0
   76    85    93    99  -0.30950 -1.0 2.0
   76    85    93    99   0.27300  1.0 3.0
   76    85    93   100   0.56750  1.0 1.0
   76    85    93   100  -0.07550 -1.0 2.0
   76    85    93   100   0.20000  1.0 3.0
   76    85    95    96   0.29150  1.0 1.0
   76    85    95    96  -0.28350 -1.0 2.0
   76    85    95    96   0.43600  1.0 3.0
   77    76    85    86   0.15000  1.0 3.0
   77    76    85    93   0.15000  1.0 3.0
   77    76    85    95   0.23400  1.0 3.0
   77    76    87    88   0.19450  1.0 3.0
   85    76    87    88   0.29150  1.0 1.0
   85    76    87    88  -0.28350 -1.0 2.0
   85    76    87    88   0.43600  1.0 3.0
   85    93   -99    65   0.06250  1.0 1.0
   85    93   -99    65  -0.01100 -1.0 2.0
   85    93   -99    65   0.28050  1.0 3.0
   85    93   100   101   0.15000  1.0 3.0
   85    93   100   102   0.15000  1.0 3.0
   85    93   100   105  -0.47750  1.0 1.0
   86    85    93    94   0.15000  1.0 3.0
   86    85    93    99   0.23400  1.0 3.0
   86    85    93   100   0.15000  1.0 3.0
   86    85    95    96   0.19450  1.0 3.0
   93    85    95    96   0.29150  1.0 1.0
   93    85    95    96  -0.28350 -1.0 2.0
   93    85    95    96   0.43600  1.0 3.0
   93   100   105   106   0.29150  1.0 1.0
   93   100   105   106  -0.28350 -1.0 2.0
   93   100   105   106   0.43600  1.0 3.0
   94    93    99    65   0.37050  1.0 3.0
   94    93   100   101   0.15000  1.0 3.0
   94    93   100   102   0.15000  1.0 3.0
   94    93   100   105   0.23400  1.0 3.0
   99    65    70    71   0.23400  1.0 3.0
   99    65   -70    76   0.62750  1.0 1.0
   99    65   -70    76  -0.30950 -1.0 2.0
   99    65   -70    76   0.27300  1.0 3.0
   99    65    70    78   1.51850  1.0 1.0
   99    93   100   101   0.23400  1.0 3.0
   99    93   100   102   0.23400  1.0 3.0
   99    93   100   105   1.51850  1.0 1.0
  100    93    99    65   0.06250  1.0 1.0
  100    93    99    65  -0.01100 -1.0 2.0
  100    93    99    65   0.28050  1.0 3.0
  101   100   105   106   0.19450  1.0 3.0
  102   100   105   106   0.19450  1.0 3.0
   95    85    93    94   0.23400  1.0 3.0
   95    85    93    99   1.51850  1.0 1.0
   95    85    93   100  -0.47750  1.0 1.0
   87    76    85    86   0.23400  1.0 3.0
   87    76    85    93  -0.47750  1.0 1.0
   87    76    85    95   3.77950  1.0 1.0
   78    70    76    77   0.23400  1.0 3.0
   78    70    76    85  -0.47750  1.0 1.0
   78    70    76    87   3.77950  1.0 1.0
   51    43    49    50   0.15000  1.0 3.0
   51    43    49    59   0.61850  1.0 1.0
   51    43    49    59  -0.22750 -1.0 2.0
   51    43    49    59   0.15300  1.0 3.0
   51    43    49    60   0.61850  1.0 1.0
   51    43    49    60  -0.22750 -1.0 2.0
   51    43    49    60   0.15300  1.0 3.0
   52    51    61    62   7.00000 -1.0 2.0
   52    51    61    63   7.00000 -1.0 2.0
   45    39    43    44   0.15000  1.0 3.0
   45    39    43    49   3.97050  1.0 1.0
   45    39    43    51   0.34400  1.0 1.0
   45    39    43    51   0.09450 -1.0 2.0
   45    39    43    51   0.11100  1.0 3.0
   45    53    64    67   0.04150 -1.0 2.0
   45    53    64    68   0.39850  1.0 1.0
   45    53    64    68   0.06450 -1.0 2.0
   45    53    64    68   0.32400  1.0 3.0
   45    53    91    82   0.23450  1.0 1.0
   45    53    91    82   0.02050 -1.0 2.0
   45    53    91    82   0.25250  1.0 3.0
   45    53    91    92  -0.05950  1.0 1.0
   45    53    91    92   0.08850 -1.0 2.0
   45    53    91    92   0.11750  1.0 3.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    64   0.43200  1.0 3.0
   46    45    53    91   0.15000  1.0 3.0
   47    45    53    54   0.15000  1.0 3.0
   47    45    53    64   0.43200  1.0 3.0
   47    45    53    91   0.15000  1.0 3.0
   53    64    67    72   3.62500 -1.0 2.0
   53    64    67    73   3.62500 -1.0 2.0
   53    64    68   107   3.62500 -1.0 2.0
   53    64    68    69   2.00000 -1.0 2.0
   54    53    64    67   0.00000  1.0 1.0
   54    53    64    68   0.00000  1.0 1.0
   54    53    91    82   0.28000  1.0 3.0
   54    53    91    92   0.20000  1.0 3.0
   64    53    91    82   0.82600  1.0 1.0
   64    53    91    82  -0.32100 -1.0 2.0
   64    53    91    82   1.02000  1.0 3.0
   64    53    91    92   0.76500  1.0 1.0
   64    53    91    92   0.05700 -1.0 2.0
   64    53    91    92  -0.90900  1.0 3.0
   64    67    72    80   3.62500 -1.0 2.0
   64    67   -72   107   3.50000 -1.0 2.0
   64    67    73    74   0.00000  1.0 1.0
   64    67    73    75   0.00000  1.0 1.0
   64    67   -73    82   0.04150 -1.0 2.0
   67    64   -68   107   3.62500 -1.0 2.0
   67    64    68    69   1.40000 -1.0 2.0
   67    72    80    81   3.62500 -1.0 2.0
   67    72    80    89   3.62500 -1.0 2.0
   67    72   107   103   3.00000 -1.0 2.0
   67    72  -107    68   3.00000 -1.0 2.0
   67    73    82    83   0.43200  1.0 3.0
   67    73    82    84   0.43200  1.0 3.0
   67    73    82    91   0.83750  1.0 1.0
   67    73    82    91   0.32200 -1.0 2.0
   67    73    82    91   0.70600  1.0 3.0
   72    67    73    74   0.00000  1.0 1.0
   72    67    73    75   0.00000  1.0 1.0
   72    67    73    82   0.04150 -1.0 2.0
   72    80    89    90   3.62500 -1.0 2.0
   72    80    89    97   3.62500 -1.0 2.0
   72   107   -68    64   3.62500 -1.0 2.0
   72   107    68    69   1.52500 -1.0 2.0
   80    72   107   103   3.00000 -1.0 2.0
   80    72   107    68   3.00000 -1.0 2.0
   80    89    97    98   3.62500 -1.0 2.0
   80    89   -97   103   3.62500 -1.0 2.0
   81    80    89    90   3.62500 -1.0 2.0
   81    80    89    97   3.62500 -1.0 2.0
   89    97   103   104   3.62500 -1.0 2.0
   89    97   103   107   3.62500 -1.0 2.0
   90    89    97    98   3.62500 -1.0 2.0
   90    89    97   103   3.62500 -1.0 2.0
   97   103  -107    72   3.62500 -1.0 2.0
   97   103   107    68   3.62500 -1.0 2.0
   98    97   103   104   3.62500 -1.0 2.0
   98    97   103   107   3.62500 -1.0 2.0
  103   107    68    64   3.62500 -1.0 2.0
  103   107    68    69   1.52500 -1.0 2.0
  104   103   107    72   3.62500 -1.0 2.0
  104   103   107    68   3.62500 -1.0 2.0
  107    72    80    81   3.50000 -1.0 2.0
  107    72   -80    89   3.50000 -1.0 2.0
   68    64   -67    72   3.62500 -1.0 2.0
   68    64    67    73   3.62500 -1.0 2.0
   73    67    72    80   3.62500 -1.0 2.0
   73    67    72   107   3.62500 -1.0 2.0
   73    82   -91    53   0.23450  1.0 1.0
   73    82   -91    53   0.02050 -1.0 2.0
   73    82   -91    53   0.25250  1.0 3.0
   73    82    91    92  -0.15950  1.0 1.0
   73    82    91    92   0.34650 -1.0 2.0
   73    82    91    92   0.05750  1.0 3.0
   74    73    82    83   0.15000  1.0 3.0
   74    73    82    84   0.15000  1.0 3.0
   74    73    82    91   0.15000  1.0 3.0
   75    73    82    83   0.15000  1.0 3.0
   75    73    82    84   0.15000  1.0 3.0
   75    73    82    91   0.15000  1.0 3.0
   83    82    91    53   0.28000  1.0 3.0
   83    82    91    92   0.20000  1.0 3.0
   84    82    91    53   0.28000  1.0 3.0
   84    82    91    92   0.20000  1.0 3.0
   91    53   -64    67   0.18550 -1.0 2.0
   91    53   -64    67   0.14000  1.0 3.0
   91    53    64    68   0.04300 -1.0 2.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    45   0.09850  1.0 1.0
   41    38    39    45   0.15250 -1.0 2.0
   41    38    39    45  -0.50650  1.0 3.0
   41    48    55    56   0.08050  1.0 3.0
   41    48    55    57   0.08050  1.0 3.0
   41    48    55    58   0.08050  1.0 3.0
   42    41    48    55   2.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   43    52    51    61  15.00000 -1.0 2.0
   62    63    61    51  15.00000 -1.0 2.0
   67    68    64    53   4.00000 -1.0 2.0
   72    73    67    64   4.00000 -1.0 2.0
   80   107    72    67   4.00000 -1.0 2.0
   89    81    80    72   1.10000 -1.0 2.0
   97    90    89    80   1.10000 -1.0 2.0
  103    98    97    89   1.10000 -1.0 2.0
  107   104   103    97   1.10000 -1.0 2.0
  103    68   107    72   4.00000 -1.0 2.0
   69    64    68   107   1.00000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
