* LIGAND DATABASE FILE (OPLS2005)
*
001     106   110    206    325     605
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02043   105.81865    -2.09649
    3     1 S   H    _H1_     3     1.02111    48.90037    99.08715
    4     1 S   H    _H2_     4     1.02087    63.50418  -105.46220
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C11    36     1.82530    98.03331   -78.15095
   34    33 S   HC   _H4_    37     1.09782   106.08810    38.28758
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C10    38     1.50546   109.68802   -80.03330
   39    38 S   HC   _H17    39     1.08925   117.51546   -48.00651
   40    33 S   CM   _C12    93     1.50780   109.42424   158.16214
   41    40 S   HC   _H18    94     1.08697   115.36852    64.85424
   42    38 S   CM   _C9_    40     1.34035   122.79738   133.60761
   43    42 S   HC   _H16    41     1.08434   121.47776     0.33338
   44    42 S   CO4  _C8_    42     1.47725   119.86935   179.46368
   45    44 S   O    _O34    43     1.22056   125.30872    13.59517
   46    44 S   OS   _O33    44     1.36008   107.43132  -166.20677
   47    46 S   CT   _C7_    45     1.43587   117.25274  -178.38857
   48    47 S   HC   _H14    46     1.09410   107.33394   158.53801
   49    47 S   HC   _H15    47     1.09753   109.24988    43.78900
   50    47 S   CT   _C6_    48     1.53054   112.78272   -78.89523
   51    50 S   HC   _H12    49     1.09409   109.05950    59.70092
   52    50 S   HC   _H13    50     1.09839   107.21708   173.54147
   53    50 S   CT   _C5_    51     1.54788   117.29767   -65.44088
   54    53 S   HC   _H3_    52     1.09972   106.25155  -172.79775
   55    53 S   CT   _C28    53     1.54412   115.35224    68.65219
   56    55 S   HC   _H8_    54     1.10043   110.59997   -58.25901
   57    53 S   CT   _C4_   103     1.53643   110.59614   -58.26874
   58    57 S   HC   _H9_   104     1.08507   109.37833    65.25421
   59    57 S   HC   _H10   105     1.08556   109.34572   -54.77672
   60    57 S   HC   _H11   106     1.08573   109.35299  -174.70202
   61    55 S   CO4  _C27    55     1.52071   114.67053    65.00815
   62    61 S   O    _O38    56     1.22320   125.24048    -7.20451
   63    55 S   OH   _O39   101     1.42832   109.72355  -176.81193
   64    63 S   HO   _H31   102     0.96872   106.34454   -63.87869
   65    61 S   OS   _O37    57     1.36628   109.37106   173.32938
   66    65 S   CT   _C26    58     1.44006   117.17960  -178.56851
   67    66 S   HC   _H29    59     1.09515   109.44653    33.40799
   68    66 S   HC   _H30    60     1.09215   107.44741   -81.99545
   69    66 S   CT   _C19    61     1.56795   110.93251   155.57842
   70    69 S   CT   _C20    62     1.56331   108.77246   -51.90960
   71    70 S   HC   _H21    63     1.09542   110.10491  -179.28976
   72    70 S   HC   _H22    64     1.09479   111.61348    63.06005
   73    69 S   CT   _C18    81     1.61069   111.74368    71.42161
   74    70 S   CT   _C21    65     1.53485   113.47934   -59.53576
   75    74 S   HC   _H23    66     1.09689   108.03631  -165.56241
   76    74 S   HC   _H24    67     1.09629   109.95092    78.46300
   77    96 S   C3T  _C17    82     1.48511   108.07580   -61.19308
   78    73 S   CT   _C29    87     1.53426   113.88865   -60.88924
   79    78 S   HC   _H32    88     1.08668   109.47844   -53.27195
   80    78 S   HC   _H33    89     1.08651   109.43928  -173.26807
   81    78 S   HC   _H34    90     1.08643   109.43185    66.74437
   82    74 S   CM   _C22    68     1.50446   113.47694   -43.88175
   83    77 S   C3T  _C30    83     1.50940   124.69943   -91.23861
   84    83 S   HC   _H35    84     1.08220   118.30733     7.44719
   85    83 S   HC   _H36    85     1.08219   119.21501   154.98687
   86    82 S   CM   _C23    69     1.34328   121.98773    12.87379
   87    86 S   HC   _H25    70     1.08768   119.43534  -178.93412
   88    77 S   O3T  _O40    86     1.43588   114.21207  -158.28458
   89    82 S   CT   _C25    97     1.50051   116.10647  -167.37606
   90    89 S   HC   _H26    98     1.08764   109.49384   -89.82421
   91    89 S   HC   _H27    99     1.08755   109.51269   150.03677
   92    89 S   HC   _H28   100     1.08780   109.47182    30.37339
   93    69 S   CT   _C24    71     1.57707   108.55106  -168.24309
   94    93 S   HC   _H7_    72     1.09665   109.09722   -43.48782
   95    93 S   OS   _O36    73     1.44027   113.59279  -163.77153
   96    95 S   CT   _C16    74     1.42995   115.73692    46.07105
   97    96 S   HC   _H6_    75     1.09470   108.10461   175.14538
   98    96 S   CT   _C15    76     1.53229   112.20433    51.52054
   99    98 S   HC   _H19    77     1.09674   110.10924   152.00557
  100    98 S   HC   _H20    78     1.09502   111.93284    32.06994
  101    98 S   CT   _C14    79     1.55683   105.22912   -89.16596
  102   101 S   HC   _H5_    80     1.08859   108.01503   120.82208
  103   101 S   OS   _O35    91     1.43543   106.48940  -118.97859
  104   103 S   CM   _C13    92     1.37846   118.63474  -148.21888
  105   104 S   OH   _O41    95     1.38335   115.61280  -142.38098
  106   105 S   HO   _H37    96     0.96089   109.62258     0.53778
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  11   6   2   1   1   9   4   7   3   5   3   6   2   7   9   5
   4  12   5   4  12   8  11   6   5   2   1   1   8   3   2   1
   7  15   5   4  25  15   7   6  23  10   4   3  18  11   3   2
   1   9   8   3   2   9   4   5   4   2   1   1   6   2   6   7
   4   6   4   3   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42   104    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44   103   104    40    41   105  
   38    39    42   104    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    46   104    40    41  
   42    43    44    40  
   41   105   106    42   101   103   104  
  105   103   104  
   43    44    45    46    47  
   44    45    46  
   45    46    47    48    49    50  
   46    47  
   47    48    49    50    51    52    53  
   48    49    50    51    52    53    54    55    57  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53    54    55    56    61    63    57    58    59    60  
   52    53    54    55    57  
   53    54    55    57  
   54    55    56    61    62    65    63    64    57    58    59    60  
   55    56    61    63    57    58    59    60  
   56    61    62    65    66    63    64    57    58    59    60  
   61    62    65    63    64    57  
   58    59    60    61    63  
   59    60  
   60  
    0  
   62    65    66    67    68    69    63    64  
   65    66    63  
   64    65  
    0  
   66    67    68    69    70    93    73  
   67    68    69    70    71    72    74    86    93    94    95   101    73    77    78  
   68    69    70    93    73  
   69    70    93    73  
   70    71    72    74    75    76    82    86    87    93    94    95    96    98   101   102    73    77    83    88    78    79    80    81   103  
   71    72    74    75    76    82    86    93    94    95   101    73    77    78    89  
   72    74    75    76    82    93    73  
   74    75    76    82    93    73  
   77    83    84    85    88    78    79    80    81   103   104    74    86    93    94    95    96    97    98    99   100   101   102  
   75    76    82    86    87    93    89    90    91    92  
   76    82    86    89  
   82    86    89  
   83    84    85    88    78    79    80    81   103    93    95    96    97    98    99   100   101   102  
   79    80    81   103    83    88    93    96    98   101   102  
   80    81   101  
   81   101  
  101  
   86    87    93    94    95    89    90    91    92  
   84    85    88    95    96    97    98   101  
   85    88    96  
   88    96  
   87    93    94    95    96    89    90    91    92  
   93    94    95    89  
   95    96    97    98   101  
   90    91    92    93  
   91    92  
   92  
    0  
   94    95    96    97    98   101  
   95    96  
   96    97    98    99   100   101  
   97    98    99   100   101   102   103  
   98    99   100   101  
   99   100   101   102   103   104  
  100   101   102   103  
  101   102   103  
  102   103   104   105  
  103   104  
  104   105   106  
  105   106  
  106  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   96   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  103   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
  104   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
  105   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
  106   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    44   320.000  1.462
   44    45   570.000  1.229
   44    46   214.000  1.327
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    57   268.000  1.529
   55    56   340.000  1.090
   55    61   317.000  1.522
   55    63   320.000  1.410
   61    62   570.000  1.229
   61    65   214.000  1.327
   65    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   268.000  1.529
   69    93   268.000  1.529
   69    73   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    82   317.000  1.510
   82    86   549.000  1.340
   82    89   317.000  1.510
   86    87   340.000  1.080
   86    93   317.000  1.510
   93    94   340.000  1.090
   93    95   320.000  1.410
   95    96   320.000  1.410
   96    97   340.000  1.090
   96    98   268.000  1.529
   96    77   275.000  1.510
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101    73   268.000  1.529
  101   103   320.000  1.410
   73    77   275.000  1.510
   73    78   268.000  1.529
   77    83   260.000  1.509
   77    88   335.000  1.432
   83    84   340.000  1.088
   83    85   340.000  1.088
   83    88   335.000  1.432
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
  103   104   440.000  1.360
  104    40   549.000  1.340
  104   105   510.000  1.338
   40    41   340.000  1.080
  105   106   553.000  0.945
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   63    64   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40   104    70.00000  124.00000
   33    40    41    35.00000  117.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    65.00000  118.96000
   42    38    39    35.00000  120.00000
   42    44    45    80.00000  123.72100
   42    44    46    90.00000  111.29400
   44    42    43    40.00000  117.72500
   44    46    47    83.00000  116.90000
   46    44    45    83.00000  123.40000
   46    47    48    35.00000  109.50000
   46    47    49    35.00000  109.50000
   46    47    50    50.00000  109.50000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    58.35000  112.70000
   50    53    57    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    61    63.00000  111.10000
   53    55    63    50.00000  109.50000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   55    53    54    37.50000  110.70000
   55    61    62    80.00000  120.40000
   55    61    65    81.00000  111.40000
   55    63    64    55.00000  108.50000
   61    55    56    35.00000  109.50000
   61    65    66    83.00000  116.90000
   65    61    62    83.00000  123.40000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    69    50.00000  109.50000
   66    69    70    58.35000  112.70000
   66    69    93    58.35000  112.70000
   66    69    73    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    70    71    37.50000  110.70000
   69    70    72    37.50000  110.70000
   69    70    74    58.35000  112.70000
   69    93    86    70.00000  112.02700
   69    93    94    37.50000  110.70000
   69    93    95    50.00000  109.50000
   69    73   101    58.35000  112.70000
   69    73    77    70.00000  112.37300
   69    73    78    58.35000  112.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    82    70.00000  112.02700
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   74    82    86    70.00000  124.00000
   74    82    89    65.00000  117.92700
   76    74    75    33.00000  107.80000
   82    74    75    35.00000  109.50000
   82    74    76    35.00000  109.50000
   82    86    87    35.00000  120.00000
   82    86    93    70.00000  124.00000
   82    89    90    35.00000  109.50000
   82    89    91    35.00000  109.50000
   82    89    92    35.00000  109.50000
   86    93    94    35.00000  109.50000
   86    93    95    85.00000  110.90400
   93    69    70    58.35000  112.70000
   93    86    87    35.00000  117.00000
   93    95    96    60.00000  109.50000
   95    93    94    35.00000  109.50000
   95    96    97    35.00000  109.50000
   95    96    98    50.00000  109.50000
   95    96    77    50.00000  109.50000
   96    98    99    37.50000  110.70000
   96    98   100    37.50000  110.70000
   96    98   101    58.35000  112.70000
   96    77    73    58.35000  112.70000
   96    77    83    60.00000  120.94000
   96    77    88    80.00000  116.47100
   98    96    97    37.50000  110.70000
   98   101   102    37.50000  110.70000
   98   101    73    58.35000  112.70000
   98   101   103    50.00000  109.50000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101    73    77    70.00000  112.37300
  101    73    78    58.35000  112.70000
  101   103   104    90.00000  111.18400
   73    69    70    58.35000  112.70000
   73    69    93    58.35000  112.70000
   73   101   102    37.50000  110.70000
   73    77    83    60.00000  120.94000
   73    77    88    80.00000  116.47100
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    37.50000  110.70000
   77    96    97    45.00000  109.38400
   77    96    98    70.00000  112.37300
   77    83    84    37.50000  117.20000
   77    83    85    37.50000  117.20000
   77    83    88    15.00000   60.43100
   77    88    83    15.00000   59.14900
   85    83    84    35.00000  114.30000
   88    77    83    15.00000   60.43100
   88    83    84    50.00000  114.27700
   88    83    85    50.00000  114.27700
   78    73    77    70.00000  112.37300
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
  103   101   102    35.00000  109.50000
  103   101    73    50.00000  109.50000
  103   104    40    80.00000  120.01400
  103   104   105   115.00000  116.36000
  104    40    41    35.00000  120.00000
  104   105   106    70.00000  107.45700
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
  105   104    40    80.00000  121.38400
   89    82    86    70.00000  124.00000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   63    55    56    35.00000  109.50000
   63    55    61    90.00000  109.61100
   57    53    54    37.50000  110.70000
   57    53    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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
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   73    77   -83    88   1.20400  1.0 3.0
   73    77   -88    83   0.06250  1.0 1.0
   73    77   -88    83  -0.01100 -1.0 2.0
   73    77   -88    83   0.28050  1.0 3.0
   77    96    98    99   0.15000  1.0 3.0
   77    96    98   100   0.15000  1.0 3.0
   77    96   -98   101   0.47050  1.0 1.0
   77    96   -98   101   0.03900 -1.0 2.0
   77    96   -98   101   0.20100  1.0 3.0
   77    73    78    79   0.15000  1.0 3.0
   77    73    78    80   0.15000  1.0 3.0
   77    73    78    81   0.15000  1.0 3.0
   84    83   -88    77   0.36800  1.0 3.0
   85    83   -88    77   0.36800  1.0 3.0
   88    77   -83    84   0.23400  1.0 3.0
   88    77   -83    85   0.23400  1.0 3.0
   78    73    77    96   0.56750  1.0 1.0
   78    73    77    96  -0.07550 -1.0 2.0
   78    73    77    96   0.20000  1.0 3.0
   78    73    77    83   0.07850  1.0 1.0
   78    73    77    83  -0.03950 -1.0 2.0
   78    73    77    83   0.67350  1.0 3.0
   78    73    77    88   0.02550  1.0 1.0
   78    73    77    88  -0.02600 -1.0 2.0
   78    73    77    88   1.20400  1.0 3.0
  103   101    73    69   0.62750  1.0 1.0
  103   101    73    69  -0.30950 -1.0 2.0
  103   101    73    69   0.27300  1.0 3.0
  103   101    73    77  -0.26800  1.0 1.0
  103   101    73    77   0.69150 -1.0 2.0
  103   101    73    77  -0.48750  1.0 3.0
  103   101    73    78   0.62750  1.0 1.0
  103   101    73    78  -0.30950 -1.0 2.0
  103   101    73    78   0.27300  1.0 3.0
  103   104    40    33   7.00000 -1.0 2.0
  103   104    40    41   7.00000 -1.0 2.0
  103   104   105   106   2.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40   104   105   106  -0.66100  1.0 1.0
   40   104   105   106   1.20850 -1.0 2.0
   40   104   105   106  -0.36000  1.0 3.0
  105   104    40    33   7.00000 -1.0 2.0
  105   104    40    41   7.00000 -1.0 2.0
   89    82    86    87   7.00000 -1.0 2.0
   89    82    86    93   7.00000 -1.0 2.0
   63    55    61    62   0.30150 -1.0 2.0
   63    55    61    65   0.30750  1.0 1.0
   63    55    61    65   1.13850 -1.0 2.0
   63    55    61    65   0.38850  1.0 3.0
   57    53    55    56   0.15000  1.0 3.0
   57    53    55    61  -0.95700  1.0 1.0
   57    53    55    61  -0.18200 -1.0 2.0
   57    53    55    61   0.29450  1.0 3.0
   57    53    55    63   0.86500  1.0 1.0
   57    53    55    63  -0.17500 -1.0 2.0
   57    53    55    63   0.20800  1.0 3.0
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    39    38    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   42    46    44    45  10.50000 -1.0 2.0
   55    65    61    62  10.50000 -1.0 2.0
   74    89    82    86   1.10000 -1.0 2.0
   93    87    86    82   1.10000 -1.0 2.0
  103   105   104    40   1.10000 -1.0 2.0
   33    41    40   104   1.10000 -1.0 2.0
END
