* LIGAND DATABASE FILE (OPLS2005)
*
001     100   105    198    329     597
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02109    64.96752  -103.56873
    3     1 S   H    _H1_     3     1.02120   105.53911     0.14935
    4     1 S   H    _H2_     4     1.02071    47.55547   101.48806
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C23    36     1.86853    96.68028  -158.14371
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C24    37     1.51182   104.10804    59.98310
   38    37 S   HC   _H22    38     1.08042   126.43331   -75.20010
   39    33 S   CT   _C5_    89     1.56515   109.19198   -69.62470
   40    39 S   HC   _H3_    90     1.09878   108.96339   -16.72747
   41    37 S   CM   _C25    39     1.34072   108.53961   100.54957
   42    39 S   CT   _C4_    91     1.53719   111.82477    98.54292
   43    42 S   HC   _H11    92     1.08604   109.31990    62.14624
   44    42 S   HC   _H12    93     1.08538   109.37661   -57.86019
   45    42 S   HC   _H13    94     1.08523   109.30863  -177.90875
   46    41 S   OS   _O38    40     1.39913   113.14832     3.15734
   47    41 S   OH   _O39    99     1.36452   125.10443  -176.92006
   48    47 S   HO   _H23   100     0.96820   110.65696    -0.00000
   49    33 S   CM   _C22    41     1.51428   108.58378   165.83920
   50    49 S   CM   _C21    42     1.33803   126.53015   105.80508
   51    50 S   HC   _H21    43     1.08454   118.15960   174.54727
   52    50 S   CT   _C20    44     1.52391   121.45174     4.92919
   53    52 S   CT   _C6_    45     1.58726   106.36558    31.27778
   54    53 S   HC   _H4_    46     1.10167   107.49580    58.76378
   55    52 S   CT   _C26    95     1.54243   107.47453   -88.08350
   56    55 S   HC   _H24    96     1.08323   109.09677  -179.97202
   57    55 S   HC   _H25    97     1.08409   109.04844    59.99709
   58    55 S   HC   _H26    98     1.08412   109.06742   -59.94042
   59    53 S   CT   _C7_    47     1.54304   110.53153   175.04050
   60    59 S   HC   _H14    48     1.09552   110.84766    62.30968
   61    59 S   HC   _H15    49     1.09414   109.74271  -179.94405
   62    59 S   CT   _C8_    50     1.52747   111.77506   -61.27326
   63    62 S   HC   _H5_    51     1.09773   107.92330   178.81700
   64    62 S   CT   _C9_    52     1.52441   113.56019    55.77290
   65    62 S   OS   _O35    64     1.46254   106.45114   -68.54087
   66    64 S   CT   _C10    53     1.53503   115.34464    83.09006
   67    66 S   HC   _H16    54     1.08661   116.05596   -90.44581
   68    66 S   HC   _H17    55     1.09618   112.17013    33.68742
   69    52 S   CT   _C19    76     1.59701   109.45451   147.08678
   70    69 S   HC   _H10    77     1.10004   102.85107   -53.74047
   71    66 S   OS   _O33    56     1.45142   105.77751   149.98881
   72    71 S   CT   _C11    57     1.45295   107.71778   -10.45585
   73    64 S   CT   _C12    58     1.52793   106.63329  -170.46972
   74    73 S   HC   _H6_    59     1.10549   108.76277   -56.95623
   75    72 S   CT   _C17    72     1.53485   107.52629    99.49478
   76    75 S   HC   _H8_    73     1.09743   109.41079    64.41983
   77    72 S   CO4  _C27    82     1.49790   103.92033  -140.57166
   78    77 S   O    _O42    83     1.22340   124.01525    20.76470
   79    73 S   CT   _C13    60     1.51278   112.86348    60.12002
   80    79 S   HC   _H7_    61     1.09162   113.61825    66.07285
   81    75 S   CT   _C18    74     1.54424   111.67815   -56.09648
   82    81 S   HC   _H9_    75     1.09568   108.76858  -158.68856
   83    75 S   OH   _O41    80     1.42366   111.28236  -177.74103
   84    83 S   HO   _H28    81     0.97065   106.67494   -56.66024
   85    77 S   OS   _O43    84     1.36268   109.53953  -159.23055
   86    79 S   CO4  _C14    62     1.51477   110.68808   -54.04060
   87    86 S   O    _O34    63     1.22807   122.36479  -148.08435
   88    79 S   OS   _O36    65     1.41804   109.27758  -173.87811
   89    81 S   OH   _O40    78     1.42419   107.44572    86.00583
   90    89 S   HO   _H27    79     0.97074   106.62388    55.35499
   91    85 S   CT   _C28    85     1.43104   115.44256  -179.98022
   92    91 S   HC   _H29    86     1.09346   109.55365  -179.98022
   93    91 S   HC   _H30    87     1.09252   109.55492    59.18242
   94    91 S   HC   _H31    88     1.09258   108.94924   -60.41927
   95    88 S   CO4  _C15    66     1.36910   115.95278  -153.67541
   96    95 S   O    _O37    67     1.22296   125.90194    -0.00000
   97    95 S   CT   _C16    68     1.49904   110.02347   179.93147
   98    97 S   HC   _H18    69     1.09217   109.87536   -89.96449
   99    97 S   HC   _H19    70     1.09276   109.84760   148.04037
  100    97 S   HC   _H20    71     1.09420   109.30613    29.10933
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  18   2   1   1  11   5  18   9   5   8   3   2   1   6   2   1
   6  13   4  19  15   6   8   3   2   1  10   5   4  16   6  19
   8  12   5   4  13   5  11  17  14   6  11   6   9   2   7   4
   5   3   2   1   4   3   1   6   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    46    49    50    53    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    46    49    50    51    52    53    54    59    39    40    42    43    44    45    47  
   35    36  
   36  
    0  
   38    41    46    49    50    53    39    40    42    47    48  
   41    46    49    39    47  
   40    42    43    44    45    55    41    46    49    50    52    53    54    59    60    61    62    69  
   42    43    44    45    49    52    53    54    59  
   46    49    50    47    48  
   43    44    45    49    52    53    54    59  
   44    45    53  
   45    53  
   53  
   49    50    51    52    47    48  
   48    49  
    0  
   50    51    52    53    69    55  
   51    52    53    54    59    64    81    69    70    55    56    57    58  
   52    53    69    55  
   53    54    59    60    61    62    64    66    73    75    81    82    69    70    89    55    56    57    58  
   54    59    60    61    62    63    64    65    81    69    70    55    56    57    58  
   59    60    61    62    69    55  
   56    57    58    59    64    69    70    81  
   57    58    69  
   58    69  
   69  
   60    61    62    63    64    66    73    86    65    69  
   61    62    63    64    65  
   62    63    64    65  
   63    64    66    67    68    71    72    73    74    79    86    87    65    81    69    70  
   64    66    73    86    65    69  
   66    67    68    71    72    73    74    79    80    86    65    88    75    81    82    69    70    89    77  
   88    69    66    73    79    80    86    87  
   67    68    71    72    73    74    79    75    81    69    70    77  
   68    71    72    73    69  
   71    72    73    69  
   70    89    90    83    71    72    73    74    75    76    79    81    82  
   89    73    75    81    82  
   72    73    74    79    75    76    81    83    77    78    85  
   73    74    79    80    86    88    75    76    81    82    89    83    84    77    78    85    91  
   74    79    80    86    87    88    95    75    76    81    83    77    78    85  
   79    80    86    88    75    77  
   76    81    82    89    90    83    84    77    78    85    79  
   81    82    89    83    84    77  
   78    85    91    92    93    94    79    81    83  
   85    91  
   80    86    87    88    95    96    97  
   86    87    88    95  
   82    89    90    83    84  
   89    90    83  
   84    89  
    0  
   91    92    93    94  
   87    88    95  
   88  
   95    96    97    98    99   100  
   90  
    0  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100  
   99   100  
  100  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.170000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   95   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    49   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    46   440.000  1.360
   41    47   510.000  1.338
   46    49   440.000  1.360
   49    50   549.000  1.340
   50    51   340.000  1.080
   50    52   317.000  1.510
   52    53   268.000  1.529
   52    69   268.000  1.529
   52    55   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    39   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    65   320.000  1.410
   64    66   268.000  1.529
   64    73   268.000  1.529
   64    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   320.000  1.410
   72    73   268.000  1.529
   72    75   268.000  1.529
   72    77   317.000  1.522
   73    74   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    86   317.000  1.522
   79    88   320.000  1.410
   86    87   570.000  1.229
   86    65   214.000  1.327
   88    95   214.000  1.327
   95    96   570.000  1.229
   95    97   317.000  1.522
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   75    76   340.000  1.090
   75    81   268.000  1.529
   75    83   320.000  1.410
   81    82   340.000  1.090
   81    69   268.000  1.529
   81    89   320.000  1.410
   69    70   340.000  1.090
   89    90   553.000  0.945
   83    84   553.000  0.945
   77    78   570.000  1.229
   77    85   214.000  1.327
   85    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   39    40   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   47    48   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    49    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    49    46    85.00000  112.85300
   33    49    50    70.00000  124.00000
   33    39    53    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   37    41    46    80.00000  120.01400
   37    41    47    80.00000  121.38400
   41    37    38    35.00000  120.00000
   41    46    49    90.00000  114.05000
   41    47    48    70.00000  107.45700
   46    49    50    80.00000  120.01400
   49    33    37    70.00000  110.12100
   49    50    51    35.00000  120.00000
   49    50    52    70.00000  124.00000
   50    52    53    70.00000  112.02700
   50    52    69    70.00000  112.02700
   50    52    55    70.00000  112.02700
   52    50    51    35.00000  117.00000
   52    53    54    37.50000  110.70000
   52    53    59    58.35000  112.70000
   52    53    39    58.35000  112.70000
   52    69    64    58.35000  112.70000
   52    69    81    58.35000  112.70000
   52    69    70    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    58.35000  112.70000
   53    39    40    37.50000  110.70000
   53    39    42    58.35000  112.70000
   59    53    54    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    58.35000  112.70000
   59    62    65    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    64    66    58.35000  112.70000
   62    64    73    58.35000  112.70000
   62    64    69    58.35000  112.70000
   62    65    86    83.00000  116.90000
   64    62    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    71    50.00000  109.50000
   64    73    72    58.35000  112.70000
   64    73    74    37.50000  110.70000
   64    73    79    58.35000  112.70000
   64    69    81    58.35000  112.70000
   64    69    70    37.50000  110.70000
   66    71    72    60.00000  109.50000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    72    73    50.00000  109.50000
   71    72    75    50.00000  109.50000
   71    72    77    90.00000  108.74100
   72    73    74    37.50000  110.70000
   72    73    79    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    81    58.35000  112.70000
   72    75    83    50.00000  109.50000
   72    77    78    80.00000  120.40000
   72    77    85    81.00000  111.40000
   73    64    66    58.35000  112.70000
   73    79    80    37.50000  110.70000
   73    79    86    63.00000  111.10000
   73    79    88    50.00000  109.50000
   79    73    74    37.50000  110.70000
   79    86    87    80.00000  120.40000
   79    86    65    81.00000  111.40000
   79    88    95    83.00000  116.90000
   86    79    80    35.00000  109.50000
   65    62    63    35.00000  109.50000
   65    62    64    50.00000  109.50000
   65    86    87    83.00000  123.40000
   88    79    80    35.00000  109.50000
   88    79    86    90.00000  108.74100
   88    95    96    83.00000  123.40000
   88    95    97    81.00000  111.40000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   97    95    96    80.00000  120.40000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   75    72    73    58.35000  112.70000
   75    81    82    37.50000  110.70000
   75    81    69    58.35000  112.70000
   75    81    89    50.00000  109.50000
   75    83    84    55.00000  108.50000
   81    75    76    37.50000  110.70000
   81    69    70    37.50000  110.70000
   81    89    90    55.00000  108.50000
   69    52    53    58.35000  112.70000
   69    64    66    58.35000  112.70000
   69    64    73    58.35000  112.70000
   69    81    82    37.50000  110.70000
   89    81    82    35.00000  109.50000
   89    81    69    50.00000  109.50000
   83    75    76    35.00000  109.50000
   83    75    81    50.00000  109.50000
   77    72    73    63.00000  111.10000
   77    72    75    63.00000  111.10000
   77    85    91    83.00000  116.90000
   85    77    78    83.00000  123.40000
   85    91    92    35.00000  109.50000
   85    91    93    35.00000  109.50000
   85    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    49    70.00000  112.02700
   39    53    54    37.50000  110.70000
   39    53    59    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   42    39    40    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   55    52    53    58.35000  112.70000
   55    52    69    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   47    41    46   115.00000  116.36000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
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   69    64    73    74   0.15000  1.0 3.0
   69    64    73    79   0.56750  1.0 1.0
   69    64    73    79  -0.07550 -1.0 2.0
   69    64    73    79   0.20000  1.0 3.0
   69    81    89    90  -0.11600  1.0 1.0
   69    81    89    90  -0.09450 -1.0 2.0
   69    81    89    90   0.21250  1.0 3.0
   89    81    69    52   0.86500  1.0 1.0
   89    81    69    52  -0.17500 -1.0 2.0
   89    81    69    52   0.20800  1.0 3.0
   89    81    69    64   0.86500  1.0 1.0
   89    81    69    64  -0.17500 -1.0 2.0
   89    81    69    64   0.20800  1.0 3.0
   89    81    69    70   0.23400  1.0 3.0
   83    75    81    82   0.23400  1.0 3.0
   83    75    81    69   0.86500  1.0 1.0
   83    75    81    69  -0.17500 -1.0 2.0
   83    75    81    69   0.20800  1.0 3.0
   83    75    81    89   3.75450  1.0 1.0
   77    72    73    64  -0.95700  1.0 1.0
   77    72    73    64  -0.18200 -1.0 2.0
   77    72    73    64   0.29450  1.0 3.0
   77    72    73    74  -0.11250  1.0 3.0
   77    72    73    79  -0.95700  1.0 1.0
   77    72    73    79  -0.18200 -1.0 2.0
   77    72    73    79   0.29450  1.0 3.0
   77    72    75    76  -0.11250  1.0 3.0
   77    72    75    81  -0.95700  1.0 1.0
   77    72    75    81  -0.18200 -1.0 2.0
   77    72    75    81   0.29450  1.0 3.0
   77    72    75    83  -0.09450  1.0 1.0
   77    72    75    83  -1.12950 -1.0 2.0
   77    72    75    83   0.54000  1.0 3.0
   77    85    91    92   0.08050  1.0 3.0
   77    85    91    93   0.08050  1.0 3.0
   77    85    91    94   0.08050  1.0 3.0
   78    77    85    91   3.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    49    46   0.09700  1.0 1.0
   39    33    49    46   0.15600 -1.0 2.0
   39    33    49    46  -0.50800  1.0 3.0
   39    33   -49    50   0.09850  1.0 1.0
   39    33   -49    50   0.15250 -1.0 2.0
   39    33   -49    50  -0.50650  1.0 3.0
   39    53    59    60   0.15000  1.0 3.0
   39    53    59    61   0.15000  1.0 3.0
   39    53    59    62   0.56750  1.0 1.0
   39    53    59    62  -0.07550 -1.0 2.0
   39    53    59    62   0.20000  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   55    52    53    54   0.15000  1.0 3.0
   55    52    53    59   0.56750  1.0 1.0
   55    52    53    59  -0.07550 -1.0 2.0
   55    52    53    59   0.20000  1.0 3.0
   55    52    53    39   0.56750  1.0 1.0
   55    52    53    39  -0.07550 -1.0 2.0
   55    52    53    39   0.20000  1.0 3.0
   55    52    69    64   0.56750  1.0 1.0
   55    52    69    64  -0.07550 -1.0 2.0
   55    52    69    64   0.20000  1.0 3.0
   55    52    69    81   0.56750  1.0 1.0
   55    52    69    81  -0.07550 -1.0 2.0
   55    52    69    81   0.20000  1.0 3.0
   55    52    69    70   0.15000  1.0 3.0
   47    41    46    49   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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   46    47    41    37   1.10000 -1.0 2.0
   33    46    49    50   1.10000 -1.0 2.0
   52    51    50    49   1.10000 -1.0 2.0
   79    65    86    87  10.50000 -1.0 2.0
   88    97    95    96  10.50000 -1.0 2.0
   72    85    77    78  10.50000 -1.0 2.0
END
