* LIGAND DATABASE FILE (OPLS2005)
*
001     109   113    207    333     618
    1     0 S   NP   _N1_     1    28.72490    95.75452   -22.83374
    2     1 S   H    _HN1     2     1.02778    97.95500   -81.81399
    3     1 S   H    _H1_     3     1.02962    78.71796    25.38049
    4     1 S   H    _H2_     4     1.02831    35.35976   168.30850
    5     1 S   CT   _CA1     5     1.50131   142.44545   134.20475
    6     5 S   HC   _HA1     6     1.09578   105.21889    79.40836
    7     5 S   CO3  _C1_     7     1.53774   112.38091   -40.73303
    8     7 S   O2Z  _O11     8     1.26356   115.00460   -44.03177
    9     7 S   O2Z  _O12     9     1.26244   114.91296   135.08674
   10     5 S   CT   _CB1    10     1.53088   107.38928  -162.76917
   11    10 S   HC   HB11    11     1.09825   109.22867   -51.37715
   12    10 S   HC   HB12    12     1.09820   110.44509    65.12266
   13    10 S   CT   _CG1    13     1.53014   112.73920  -172.53318
   14    13 S   HC   HG11    14     1.09597   110.40232   -64.72748
   15    13 S   HC   HG12    15     1.09651   110.01988    54.50375
   16    13 S   C    _CD1    16     1.51817   112.28502   174.73173
   17    16 S   O    _OE1    17     1.22726   123.23962    -3.72342
   18    16 S   N    _N2_    18     1.38656   111.69606   176.84241
   19    18 S   H    _HN2    19     1.01580   119.04687     1.54180
   20    18 S   CT1  _CA2    20     1.45999   123.23758   179.69481
   21    20 S   HC   _HA2    21     1.09266   108.89234    -3.36278
   22    20 S   C    _C2_    22     1.53405   108.71087  -118.35298
   23    22 S   O    _O2_    23     1.23040   122.21984  -142.30317
   24    20 S   CT   _CB2    32     1.53165   111.65311   118.86793
   25    24 S   HC   HB21    33     1.09657   109.55649    54.18496
   26    24 S   HC   HB22    34     1.09531   111.43304   171.60548
   27    22 S   N    _N3_    24     1.38525   113.57722    45.38700
   28    27 S   H    _HN3    25     1.01513   119.12560    -0.98933
   29    24 S   S    _SG2    35     1.82877   114.02933   -65.39661
   30    27 S   CT   _CA3    26     1.45517   123.03065   175.33389
   31    30 S   HC   HA31    27     1.09542   108.95682    31.94364
   32    30 S   HC   HA32    28     1.09492   107.27884   148.80816
   33    29 S   CT   _C10    36     1.83811   100.23157   -79.23505
   34    33 S   HC   _H7_    37     1.09461   104.61839   -39.91383
   35    30 S   CO3  _C3_    29     1.52855   112.89272   -91.24633
   36    35 S   O2Z  _O31    30     1.26394   115.22964   -55.19703
   37    35 S   O2Z  _O32    31     1.26362   115.29298   124.79788
   38    33 S   CT   _C6_    38     1.54303   112.19937  -157.07058
   39    38 S   HC   _H3_    39     1.10046   107.00025    60.97026
   40    38 S   CT   _C7_    40     1.55996   111.01981   179.96574
   41    40 S   HC   _H4_    41     1.09777   108.39913   165.30641
   42    38 S   CO4  _C5_   103     1.52886   114.21254   -54.68306
   43    42 S   O    _O34   104     1.22299   125.67590   -19.14297
   44    40 S   CT   _C8_    42     1.55633   111.57506    46.24947
   45    44 S   HC   _H5_    43     1.09476   108.87086  -163.78746
   46    40 S   CT   _C19    75     1.55911   108.55517   -79.48214
   47    46 S   HC   _H26    76     1.09581   109.40544    54.52846
   48    46 S   HC   _H27    77     1.09905   107.85698   -58.45005
   49    42 S   OS   _O33   105     1.36794   109.12615   160.99681
   50    44 S   CO   _C9_    44     1.54194   112.29398   -45.28089
   51    50 S   HC   _H6_    45     1.09768   108.96854   168.98159
   52    44 S   CM   _C17    70     1.51493   111.98803    79.32925
   53    52 S   HC   _H23    71     1.08641   118.34247   -80.22096
   54    46 S   CT   _C20    78     1.54072   117.46754   177.96260
   55    54 S   HC   _H13    79     1.09330   111.70445   -55.94104
   56    49 S   CT   _C4_   106     1.43059   115.18112   179.66138
   57    56 S   HC   _H14   107     1.09325   108.09669  -179.89165
   58    56 S   HC   _H15   108     1.09420   110.29484    61.41204
   59    56 S   HC   _H16   109     1.09426   110.26838   -61.22896
   60    33 S   OS   _O35    46     1.42587   111.82047    77.20827
   61    50 S   OS1  _O36    47     1.43193   108.25338   -73.20853
   62    52 S   CM   _C18    72     1.33871   123.77699   101.57332
   63    62 S   HC   _H24    73     1.08501   120.38188   179.07106
   64    62 S   HC   _H25    74     1.08430   121.77336    -0.84765
   65    54 S   C5A  _C21    80     1.49072   111.29117  -177.39586
   66    61 S   CO1  _C11    48     1.42698   113.05091  -161.24965
   67    66 S   HC   _H8_    49     1.09556   109.28942   -38.60272
   68    65 S   C5B  _C22    81     1.37847   125.94328  -109.48122
   69    65 S   NA   _N4_    92     1.36600   125.38515    70.89985
   70    69 S   H    _H32    93     1.01251   125.57207     0.41825
   71    66 S   CT   _C12    50     1.53300   108.40070  -157.31773
   72    71 S   HC   _H9_    51     1.09587   110.61361    58.91817
   73    68 S   C56B _C23    82     1.42261   107.33333   179.51827
   74    68 S   CT   _C29    94     1.49087   121.90249    -1.81478
   75    74 S   HC   _H33    95     1.09553   110.57236   140.38838
   76    74 S   HC   _H34    96     1.09700   108.57177  -102.07901
   77    71 S   CT   _C13    52     1.52925   108.82502  -179.21815
   78    77 S   HC   _H10    53     1.09484   107.59073   -67.49304
   79    71 S   OH5  _O41    68     1.43058   109.81557   -57.72601
   80    79 S   HO   _H22    69     0.97359   106.58731  -165.34731
   81    73 S   CA   _C24    83     1.40937   134.38179   179.97202
   82    81 S   HA   _H28    84     1.08622   120.77287     0.22117
   83    74 S   CT   _C30    97     1.53717   111.54474    18.44290
   84    83 S   HC   _H35    98     1.09456   112.07201    73.76030
   85    83 S   HC   _H36    99     1.09414   111.20035  -164.01897
   86    77 S   CT   _C14    54     1.53285   112.14104    52.30128
   87    86 S   HC   _H11    55     1.09576   110.06939  -172.92388
   88    77 S   OH5  _O40    66     1.42376   110.03963   175.71358
   89    88 S   HO   _H21    67     0.97456   106.81645   167.08088
   90    81 S   CA   _C25    85     1.39956   119.29744  -179.85196
   91    90 S   HA   _H29    86     1.08693   119.52602  -179.90513
   92    54 S   NP   _N5_   100     1.51981   110.42854    61.25801
   93    92 S   H    _H37   101     1.02758   110.62521   -44.35484
   94    92 S   H    _H38   102     1.02957   107.91577  -158.79192
   95    86 S   CT   _C15    56     1.53703   110.14162   -50.94493
   96    95 S   HC   _H12    57     1.09751   110.27070   -64.94009
   97    86 S   OH5  _O39    64     1.42930   110.11336    70.07028
   98    97 S   HO   _H20    65     0.97302   106.97751    50.85609
   99    90 S   CA   _C26    87     1.39323   120.77634     0.13270
  100    99 S   HA   _H30    88     1.08720   119.55507   179.96574
  101    66 S   OS1  _O37    58     1.43096   111.06847    81.34940
  102    95 S   CT   _C16    59     1.52812   112.04605   173.42568
  103   102 S   HC   _H17    60     1.09441   110.98421    50.50010
  104   102 S   HC   _H18    61     1.09478   111.45752   -72.03782
  105    99 S   CA   _C27    89     1.39766   121.04748     0.05595
  106   105 S   HA   _H31    90     1.08502   120.91773   179.80820
  107   102 S   OH5  _O38    62     1.42552   109.11125   169.31918
  108   107 S   HO   _H19    63     0.97223   106.95171   179.97202
  109    73 S   C56A _C28    91     1.39980   106.95916     0.36797
  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
  14   6   2   1   1  16   8  20   9   9   2  15   8  13   5   4
   4  10   4   6   3  14   7   3   2   1   1   2   8   2   1   1
  14  13   6  15   9   3  12   7  12  10   5   4  13   7   4   1
   7   4   5   4   3  12   7   3   1   6   3   2   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    60    61    46    42    43    49  
   38    39    40    50    60    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    60    52    46    47    48    54    42    43    49    56  
   40    41    44    60    46    42    43    49  
   41    44    45    50    51    60    61    52    53    62    46    47    48    54    55    65    92    42    43    49  
   44    45    50    52    46    47    48    54    42  
   43    49    56    57    58    59    44    46    60  
   49    56  
   45    50    51    60    61    66    52    53    62    63    64    46    47    48    54  
   50    51    60    61    52    53    62    46  
   47    48    54    55    65    68    69    83    92    93    94    50    52  
   48    54    55    65    92  
   54    55    65    92  
   56    57    58    59  
   51    60    61    66    67    71   101    52    53    62  
   60    61    66    52  
   53    62    63    64    60    61  
   62    63    64  
   55    65    68    73   109    69    70    74    83    84    85    92    93    94  
   65    68    69    83    92    93    94  
   57    58    59  
   58    59  
   59  
    0  
   61    66  
   66    67    71    72    77    95   101    79  
   63    64  
   64  
    0  
   68    73    81   105   109    69    70    74    75    76    83    92    93    94  
   67    71    72    77    78    86    95    96   101   102    88    79    80  
   71    72    77    95   101    79  
   73    81    82    90   105   109    69    70    74    75    76    83    84    85    92  
   70    74    92    73    81    99   105   106   109  
   73   105   109  
   72    77    78    86    87    95   101    97    88    89    79    80  
   77    78    86   101    88    79    80  
   81    82    90    91    99   105   106   109    74    75    76    83  
   75    76    83    84    85    92    93    94    81   109  
   76    83    84    85    92  
   83    84    85    92  
   78    86    87    95    96   101   102    97    98    88    89    79    80  
   86    87    95    97    88    89    79  
   80    86    88   101  
    0  
   82    90    91    99   100   105   109  
   90    91    99   109  
   84    85    92    93    94  
   85    92    93    94  
   92    93    94  
   87    95    96   101   102   103   104   107    97    98    88    89  
   95    96   101   102    97    98    88  
   89    95    97  
    0  
   91    99   100   105   106   109  
   99   100   105  
   93    94  
   94  
    0  
   96   101   102   103   104   107   108    97    98  
  101   102   103   104   107    97  
   98   101   102  
    0  
  100   105   106   109  
  105   106   109  
  102   103   104   107  
  103   104   107   108  
  104   107   108  
  107   108  
  106   109  
  109  
  108  
    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   0.318900   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.345000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   69   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   70   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   83   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   92   3.2500   0.1700  -0.200000   2.2900   2.0360   0.003973653   1.685851020
   93   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   94   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
  101   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  102   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
  106   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
  107   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  108   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  109   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   268.000  1.529
   33    60   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    50   250.000  1.527
   44    52   317.000  1.510
   50    51   340.000  1.090
   50    60   320.000  1.380
   50    61   320.000  1.380
   61    66   370.000  1.399
   66    67   360.000  1.097
   66    71   255.000  1.525
   66   101   370.000  1.399
   71    72   340.000  1.090
   71    77   268.000  1.529
   71    79   355.000  1.421
   77    78   340.000  1.090
   77    86   268.000  1.529
   77    88   355.000  1.421
   86    87   340.000  1.090
   86    95   268.000  1.529
   86    97   355.000  1.421
   95    96   340.000  1.090
   95   101   335.000  1.422
   95   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   107   355.000  1.421
  107   108   580.000  0.967
   97    98   580.000  0.967
   88    89   580.000  0.967
   79    80   580.000  0.967
   52    53   340.000  1.080
   52    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    65   295.000  1.489
   54    92   367.000  1.471
   65    68   520.000  1.370
   65    69   427.000  1.381
   68    73   380.000  1.440
   68    74   295.000  1.494
   73    81   469.000  1.404
   73   109   447.000  1.419
   81    82   367.000  1.080
   81    90   469.000  1.400
   90    91   367.000  1.080
   90    99   469.000  1.400
   99   100   367.000  1.080
   99   105   469.000  1.400
  105   106   367.000  1.080
  105   109   469.000  1.400
  109    69   428.000  1.380
   69    70   434.000  1.010
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    92   367.000  1.471
   92    93   434.000  1.010
   92    94   434.000  1.010
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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  111.63000
   29    33    60    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    60    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    50    75.00000  109.43000
   40    44    52    70.00000  112.02700
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    54    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    45.00000  112.01100
   44    50    60    90.00000  108.56700
   44    50    61    90.00000  108.56700
   44    52    53    35.00000  117.00000
   44    52    62    70.00000  124.00000
   50    44    45    45.00000  108.72000
   50    61    66    90.00000  112.10700
   60    33    34    35.00000  109.50000
   60    33    38    50.00000  109.50000
   60    50    51    35.00000  109.50000
   61    50    51    35.00000  109.50000
   61    50    60    92.60000  111.55000
   61    66    67    60.00000  105.75400
   61    66    71    90.00000  109.70700
   61    66   101   110.00000  113.16000
   66    71    72    45.00000  109.54000
   66    71    77    70.00000  111.10000
   66    71    79    90.00000  109.42000
   66   101    95    90.00000  112.10700
   71    66    67    45.00000  111.65000
   71    77    78    37.50000  110.70000
   71    77    86    58.35000  112.70000
   71    77    88    90.00000  111.45300
   71    79    80    65.00000  108.53500
   77    71    72    37.50000  110.70000
   77    86    87    37.50000  110.70000
   77    86    95    58.35000  112.70000
   77    86    97    90.00000  111.45300
   77    88    89    65.00000  108.53500
   86    77    78    37.50000  110.70000
   86    95    96    37.50000  110.70000
   86    95   101    95.00000  107.88500
   86    95   102    58.35000  112.70000
   86    97    98    65.00000  108.53500
   95    86    87    37.50000  110.70000
   95   102   103    37.50000  110.70000
   95   102   104    37.50000  110.70000
   95   102   107    90.00000  111.45300
  101    66    67    60.00000  105.75400
  101    66    71    90.00000  109.70700
  101    95    96    55.00000  108.98800
  102    95    96    37.50000  110.70000
  102    95   101    95.00000  107.88500
  102   107   108    65.00000  108.53500
  104   102   103    33.00000  107.80000
  107   102   103    60.00000  109.39000
  107   102   104    60.00000  109.39000
   97    86    87    60.00000  109.39000
   97    86    95    90.00000  111.45300
   88    77    78    60.00000  109.39000
   88    77    86    90.00000  111.45300
   79    71    72    60.00000  109.39000
   79    71    77    90.00000  111.45300
   52    44    45    35.00000  109.50000
   52    44    50    70.00000  112.02700
   52    62    63    35.00000  120.00000
   52    62    64    35.00000  120.00000
   62    52    53    35.00000  120.00000
   64    62    63    35.00000  117.00000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    54    55    37.50000  110.70000
   46    54    65    70.00000  113.44400
   46    54    92    80.00000  111.20000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    65    68    55.00000  130.44200
   54    65    69    65.00000  122.56900
   54    92    83    75.00000  113.01200
   54    92    93    35.00000  109.50000
   54    92    94    35.00000  109.50000
   65    54    55    45.00000  110.47400
   65    68    73    80.00000  105.82900
   65    68    74    55.00000  127.77900
   65    69   109    90.00000  107.14200
   65    69    70    35.00000  120.00000
   68    73    81    50.00000  134.85500
   68    73   109    80.00000  107.43600
   68    74    75    45.00000  111.11700
   68    74    76    45.00000  111.11700
   68    74    83    70.00000  112.62400
   73    81    82    35.00000  120.00000
   73    81    90    63.00000  120.00000
   73   109   105    85.00000  122.70000
   73   109    69    70.00000  104.40000
   81    90    91    35.00000  120.00000
   81    90    99    63.00000  120.00000
   90    81    82    35.00000  120.00000
   90    99   100    35.00000  120.00000
   90    99   105    63.00000  120.00000
   99    90    91    35.00000  120.00000
   99   105   106    35.00000  120.00000
   99   105   109    85.00000  120.00000
  105    99   100    35.00000  120.00000
  105   109    69    70.00000  132.80000
  109    73    81    85.00000  116.20000
  109   105   106    35.00000  120.00000
  109    69    70    35.00000  123.10000
   69    65    68    70.00000  106.30000
   74    68    73    55.00000  128.73000
   74    83    84    37.50000  110.70000
   74    83    85    37.50000  110.70000
   74    83    92    80.00000  111.20000
   76    74    75    33.00000  107.80000
   83    74    75    37.50000  110.70000
   83    74    76    37.50000  110.70000
   83    92    93    35.00000  109.50000
   83    92    94    35.00000  109.50000
   85    83    84    33.00000  107.80000
   92    54    55    35.00000  109.50000
   92    54    65    75.00000  111.64000
   92    83    84    35.00000  109.50000
   92    83    85    35.00000  109.50000
   94    92    93    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    56    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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
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   92    54    65    69   0.04300 -1.0 2.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    46  -0.95700  1.0 1.0
   42    38    40    46  -0.18200 -1.0 2.0
   42    38    40    46   0.29450  1.0 3.0
   42    49    56    57   0.08050  1.0 3.0
   42    49    56    58   0.08050  1.0 3.0
   42    49    56    59   0.08050  1.0 3.0
   43    42    49    56   3.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   44    53    52    62  15.00000 -1.0 2.0
   63    64    62    52  15.00000 -1.0 2.0
   68    69    65    54   4.00000 -1.0 2.0
   73    74    68    65   4.00000 -1.0 2.0
   81   109    73    68   4.00000 -1.0 2.0
   90    82    81    73   1.10000 -1.0 2.0
   99    91    90    81   1.10000 -1.0 2.0
  105   100    99    90   1.10000 -1.0 2.0
  109   106   105    99   1.10000 -1.0 2.0
  105    69   109    73   4.00000 -1.0 2.0
   70    65    69   109   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
