* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    208    331     619
    1     0 S   NP   _N1_     1    29.15614    97.71913   -23.04429
    2     1 S   H    _HN1     2     1.02832    38.63858   149.67873
    3     1 S   H    _H1_     3     1.02777   104.52421  -109.68804
    4     1 S   H    _H2_     4     1.02958    71.92567    -4.77102
    5     1 S   CT   _CA1     5     1.50151   139.39527    95.69162
    6     5 S   HC   _HA1     6     1.09567   105.22033    91.93318
    7     5 S   CO3  _C1_     7     1.53842   112.31833   -28.32886
    8     7 S   O2Z  _O11     8     1.26382   114.97263   -42.70355
    9     7 S   O2Z  _O12     9     1.26221   114.98806   136.24870
   10     5 S   CT   _CB1    10     1.53079   107.39932  -150.02284
   11    10 S   HC   HB11    11     1.09827   109.54746   -48.76780
   12    10 S   HC   HB12    12     1.09817   110.34469    67.87376
   13    10 S   CT   _CG1    13     1.52969   112.58584  -169.73923
   14    13 S   HC   HG11    14     1.09575   110.47475   -62.34553
   15    13 S   HC   HG12    15     1.09649   109.95303    56.86007
   16    13 S   C    _CD1    16     1.51805   112.28077   177.46456
   17    16 S   O    _OE1    17     1.22727   123.32769     1.77189
   18    16 S   N    _N2_    18     1.38483   111.62058  -178.40713
   19    18 S   H    _HN2    19     1.01791   118.92223     1.62317
   20    18 S   CT1  _CA2    20     1.46078   123.82656  -176.82325
   21    20 S   HC   _HA2    21     1.09723   109.26104     7.08549
   22    20 S   C    _C2_    22     1.53526   109.26980  -109.14405
   23    22 S   O    _O2_    23     1.23101   122.00567  -145.79490
   24    20 S   CT   _CB2    32     1.53509   111.14563   128.69365
   25    24 S   HC   HB21    33     1.09336   109.54671    61.50841
   26    24 S   HC   HB22    34     1.09502   109.75632   179.46077
   27    22 S   N    _N3_    24     1.38429   113.85008    41.67197
   28    27 S   H    _HN3    25     1.01458   119.05728    -0.27052
   29    24 S   S    _SG2    35     1.83356   111.55104   -61.10354
   30    27 S   CT   _CA3    26     1.45438   123.34911   175.66230
   31    30 S   HC   HA31    27     1.09533   109.18277    26.21658
   32    30 S   HC   HA32    28     1.09501   107.14645   143.14375
   33    29 S   CT   _C23    36     1.88235   101.99863   151.22687
   34    33 S   OM   _O38    37     1.32235   105.60681  -176.87720
   35    30 S   CO3  _C3_    29     1.52901   113.08964   -97.25928
   36    35 S   O2Z  _O31    30     1.26403   115.35279   -47.50559
   37    35 S   O2Z  _O32    31     1.26353   115.02842   133.44601
   38    33 S   CM   _C24    38     1.52935   111.54019   -61.23443
   39    38 S   CMA  _C25    39     1.36354   125.27761   148.77524
   40    39 S   OM   _O36    40     1.26657   129.56164   178.33952
   41    38 S   C    _C26   107     1.50682   119.58324   -32.97642
   42    41 S   O    _O37   108     1.22756   122.46234   109.73738
   43    39 S   CT   _C17    41     1.56551   117.31781     0.79155
   44    41 S   N    _N6_   109     1.37288   113.32849   -70.39388
   45    44 S   H    _H22   110     1.01512   121.38407     1.69038
   46    44 S   H    _H23   111     1.01331   120.88961  -179.59555
   47    43 S   CM   _C16    42     1.54567   115.27272  -164.11432
   48    43 S   CT   _C18    89     1.55329   111.47431   -39.38404
   49    48 S   HC   _H3_    90     1.09691   108.85512   170.77201
   50    43 S   OH   _O39   105     1.43810   107.55995    77.85144
   51    50 S   HO   _H31   106     0.97375   106.22266    53.87128
   52    47 S   CM   _C15    43     1.35048   123.12873   100.69985
   53    33 S   CT   _C22    91     1.57503   108.03670    63.65147
   54    53 S   HC   _H5_    92     1.09368   106.58645   -21.64723
   55    47 S   OH   _O40   103     1.38909   113.57813   -80.96019
   56    55 S   HO   _H32   104     0.97249   108.72400   179.78602
   57    52 S   CO4  _C14    44     1.49717   121.46093   179.83331
   58    57 S   O    _O35    45     1.22678   121.62866   -15.11685
   59    53 S   NP   _N7_    93     1.55326   112.59153    88.44531
   60    59 S   H    _H24    94     1.03009   103.17688   -25.07035
   61    57 S   CA   _C12    46     1.49423   118.10737   165.17298
   62    59 S   CT   _C27    95     1.50694   117.87504    89.68696
   63    62 S   HC   _H25    96     1.09166   109.55719    71.84326
   64    62 S   HC   _H26    97     1.09422   107.43077  -169.03989
   65    62 S   HC   _H27    98     1.08894   109.73449   -51.00385
   66    59 S   CT   _C28    99     1.50558   112.53837  -139.27616
   67    66 S   HC   _H28   100     1.09282   108.54514   -64.66518
   68    66 S   HC   _H29   101     1.09323   108.31617    56.20049
   69    66 S   HC   _H30   102     1.09330   108.24827   174.78166
   70    61 S   CA   _C11    47     1.41112   120.01658   -10.52325
   71    70 S   CA   _C10    48     1.41838   119.99144  -177.43753
   72    70 S   CT   _C21    81     1.51426   119.69532     1.77365
   73    72 S   HC   _H20    82     1.09647   110.44871   152.16430
   74    72 S   HC   _H21    83     1.09764   108.49886   -89.97316
   75    71 S   CA   _C9_    49     1.41018   118.85335    -1.91141
   76    75 S   HA   _H16    50     1.08415   117.84129   179.36142
   77    71 S   NE   _N8_    72     1.40344   120.67401   177.16959
   78    52 S   CT   _C20    84     1.50121   123.03730     1.53008
   79    78 S   HC   _H4_    85     1.10070   106.77817   110.19477
   80    75 S   CA   _C8_    51     1.39549   121.66367     0.81084
   81    77 S   CT   _C29    73     1.45884   115.04719   -81.12674
   82    81 S   HC   _H33    74     1.09539   110.25343   168.52132
   83    81 S   HC   _H34    75     1.09470   112.17039    49.20240
   84    81 S   HC   _H35    76     1.09585   110.66241   -71.98323
   85    77 S   CT   _C30    77     1.45698   118.04382   134.31301
   86    85 S   HC   _H36    78     1.09547   109.96496  -162.87895
   87    85 S   HC   _H37    79     1.09522   111.56744    77.60029
   88    85 S   HC   _H38    80     1.09579   111.17322   -44.39784
   89    78 S   CT   _C19    86     1.53442   113.90805    -7.75150
   90    89 S   HC   _H18    87     1.09796   108.08477   159.61027
   91    89 S   HC   _H19    88     1.09686   110.40990   -84.60793
   92    61 S   CA   _C13    52     1.40641   120.53118   170.36683
   93    80 S   N    _N5_    55     1.41767   123.87304  -179.94405
   94    93 S   H    _H15    56     1.01841   113.89951  -179.37380
   95    92 S   OH   _O34    53     1.37548   122.52138    -1.51659
   96    95 S   HO   _H17    54     0.97374   109.12100     2.83131
   97    93 S   C    _C7_    57     1.38719   128.00873     0.70527
   98    97 S   O    _O33    58     1.22788   127.57181    -0.93440
   99    97 S   CT1  _C6_    59     1.51824   111.71042   179.80416
  100    99 S   HC   _H13    60     1.09529   107.80028    91.91500
  101    99 S   HC   _H14    61     1.09475   112.44159   -29.21573
  102    99 S   NP   _N4_    62     1.51749   111.73113  -150.17153
  103   102 S   H    _H9_    63     1.03017   106.66142   -46.05739
  104   102 S   CT   _C4_    64     1.50507   112.70465    71.00841
  105   104 S   HC   _H6_    65     1.09328   108.58241    62.96302
  106   104 S   HC   _H7_    66     1.09325   107.99032  -176.67174
  107   104 S   HC   _H8_    67     1.09248   108.57907   -57.80233
  108   102 S   CT   _C5_    68     1.50311   111.79081  -162.53335
  109   108 S   HC   _H10    69     1.09325   108.58155   -62.47608
  110   108 S   HC   _H11    70     1.09314   108.10303    58.11179
  111   108 S   HC   _H12    71     1.09318   108.12353   176.91206
  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   9   5   4   3
  17   7   2   1   1  14  14   5   6   3  16   2   1   1  15  17
   8   5   1  15  15   5   3   1  11   4  10   8  13   7   3   2
   1   3   2   1   1  15  18  10   4   3  10   4   9   4   3   8
   7   3   2   1   3   2   1   1   2   1   1   5   8   3   1   1
   8   4  12   5   4   9   8   7   3   2   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    53    54    59    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    89    48    49    53    54    59    60    62    66    41    42    44  
   38    39    48    53    54    59    41  
   36    37  
   37  
    0  
   39    40    43    47    48    53    54    59    50    41    42    44    45    46  
   40    43    47    52    89    48    49    53    55    50    51    41    42    44  
   43    47    48    50    41  
   42    44    45    46    43    53  
   44    45    46  
   47    52    57    78    89    90    91    48    49    53    54    59    55    56    50    51  
   45    46  
   46  
    0  
   52    57    58    61    72    78    79    89    48    49    53    55    56    50    51  
   49    53    54    59    60    62    66    55    50    51    52    72    78    79    89    90    91  
   53    54    59    50    78    89    90    91  
   51    52    53    55    89  
    0  
   57    58    61    70    92    72    73    74    78    79    89    90    91    55    56  
   54    59    60    62    63    64    65    66    67    68    69    78    89    90    91  
   59    60    62    66    89  
   56    57    78  
    0  
   58    61    70    71    80    92    95    72    78    79    89  
   61    70    92    78  
   60    62    63    64    65    66    67    68    69    89  
   62    63    64    65    66    67    68    69  
   70    71    75    80    92    95    96    93    77    72    73    74    78  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    75    76    80    92    95    77    81    85    72    73    74    78    79    89  
   75    76    80    92    93    77    81    82    83    84    85    86    87    88    72    73    74    78  
   73    74    78    79    89    90    91    75    77    92  
   74    78    79    89  
   78    79    89  
   76    80    92    95    93    94    97    77    81    85  
   80    92    93    77  
   81    82    83    84    85    86    87    88    80  
   79    89    90    91  
   89    90    91  
   92    95    96    93    94    97    98    99  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    0  
   90    91  
   91  
    0  
   95    96    93    94    97  
   94    97    98    99   100   101   102    95  
   97    98    99  
   96  
    0  
   98    99   100   101   102   103   104   108  
   99   100   101   102  
  100   101   102   103   104   105   106   107   108   109   110   111  
  101   102   103   104   108  
  102   103   104   108  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108  
  108  
  109   110   111  
  110   111  
  111  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   46   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   60   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   93   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   94   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   95   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   99   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  102   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
  103   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
  104   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  108   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    53   268.000  1.529
   38    39   465.000  1.376
   38    41   410.000  1.444
   39    40   745.000  1.250
   39    43   270.000  1.512
   43    47   317.000  1.510
   43    48   268.000  1.529
   43    50   320.000  1.410
   47    52   549.000  1.340
   47    55   510.000  1.338
   52    57   320.000  1.462
   52    78   317.000  1.510
   57    58   570.000  1.229
   57    61   310.000  1.470
   61    70   469.000  1.400
   61    92   469.000  1.400
   70    71   469.000  1.400
   70    72   317.000  1.510
   71    75   469.000  1.400
   71    77   481.000  1.340
   75    76   367.000  1.080
   75    80   469.000  1.400
   80    92   469.000  1.400
   80    93   360.000  1.404
   92    95   450.000  1.364
   95    96   553.000  0.945
   93    94   434.000  1.010
   93    97   490.000  1.335
   97    98   570.000  1.229
   97    99   317.000  1.522
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   367.000  1.471
  102   103   434.000  1.010
  102   104   367.000  1.471
  102   108   367.000  1.471
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   77    81   382.000  1.448
   77    85   382.000  1.448
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    48   268.000  1.529
   48    49   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    59   367.000  1.471
   59    60   434.000  1.010
   59    62   367.000  1.471
   59    66   367.000  1.471
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   55    56   553.000  0.945
   50    51   553.000  0.945
   41    42   570.000  1.229
   41    44   490.000  1.335
   44    45   434.000  1.010
   44    46   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    53    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  119.70000
   33    53    48    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    59    80.00000  111.20000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    43    65.00000  122.18000
   38    41    42    80.00000  125.30000
   38    41    44    80.00000  111.56200
   39    43    47    70.00000  110.12100
   39    43    48    70.00000  112.02700
   39    43    50    90.00000  110.39200
   43    39    40    85.00000  112.85300
   43    47    52    70.00000  124.00000
   43    47    55    90.00000  109.34000
   43    48    89    58.35000  112.70000
   43    48    49    37.50000  110.70000
   43    48    53    58.35000  112.70000
   43    50    51    55.00000  108.50000
   47    52    57    65.00000  118.96000
   47    52    78    70.00000  124.00000
   47    55    56    70.00000  107.45700
   52    57    58    80.00000  123.72100
   52    57    61    65.00000  117.02400
   52    78    72    70.00000  112.02700
   52    78    79    35.00000  109.50000
   52    78    89    70.00000  112.02700
   57    61    70    60.00000  119.52600
   57    61    92    60.00000  119.52600
   61    57    58    75.00000  123.78400
   61    70    71    63.00000  120.00000
   61    70    72    70.00000  120.00000
   61    92    80    63.00000  120.00000
   61    92    95    70.00000  120.00000
   70    71    75    63.00000  120.00000
   70    71    77    70.00000  120.10000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    78    70.00000  112.17500
   71    75    76    35.00000  120.00000
   71    75    80    63.00000  120.00000
   71    77    81    50.00000  120.00000
   71    77    85    50.00000  120.00000
   75    80    92    63.00000  120.00000
   75    80    93    70.00000  119.01900
   80    75    76    35.00000  120.00000
   80    92    95    70.00000  120.00000
   80    93    94    45.00000  118.23600
   80    93    97    65.00000  121.96500
   92    61    70    63.00000  120.00000
   92    95    96    35.00000  113.00000
   93    80    92    70.00000  119.01900
   93    97    98    80.00000  122.90000
   93    97    99    70.00000  116.60000
   97    93    94    35.00000  119.80000
   97    99   100    35.00000  109.50000
   97    99   101    35.00000  109.50000
   97    99   102    80.00000  111.20000
   99    97    98    80.00000  120.40000
   99   102   103    35.00000  109.50000
   99   102   104    75.00000  113.01200
   99   102   108    75.00000  113.01200
  101    99   100    33.00000  107.80000
  102    99   100    35.00000  109.50000
  102    99   101    35.00000  109.50000
  102   104   105    35.00000  109.50000
  102   104   106    35.00000  109.50000
  102   104   107    35.00000  109.50000
  102   108   109    35.00000  109.50000
  102   108   110    35.00000  109.50000
  102   108   111    35.00000  109.50000
  104   102   103    35.00000  109.50000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108   102   103    35.00000  109.50000
  108   102   104    75.00000  113.01200
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   77    71    75    70.00000  120.10000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   77    85    86    35.00000  109.50000
   77    85    87    35.00000  109.50000
   77    85    88    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    77    81    50.00000  115.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   72    70    71    70.00000  120.00000
   72    78    79    37.50000  110.70000
   72    78    89    58.35000  112.70000
   74    72    73    33.00000  107.80000
   78    52    57    65.00000  116.34900
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    89    90    37.50000  110.70000
   78    89    91    37.50000  110.70000
   78    89    48    58.35000  112.70000
   89    78    79    37.50000  110.70000
   89    48    49    37.50000  110.70000
   89    48    53    58.35000  112.70000
   91    89    90    33.00000  107.80000
   48    43    47    70.00000  112.02700
   48    89    90    37.50000  110.70000
   48    89    91    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    59    80.00000  111.20000
   53    33    34    50.00000  109.50000
   53    33    38    70.00000  112.02700
   53    48    49    37.50000  110.70000
   53    59    60    35.00000  109.50000
   53    59    62    75.00000  113.01200
   53    59    66    75.00000  113.01200
   59    53    54    35.00000  109.50000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    35.00000  109.50000
   59    66    67    35.00000  109.50000
   59    66    68    35.00000  109.50000
   59    66    69    35.00000  109.50000
   62    59    60    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    59    60    35.00000  109.50000
   66    59    62    75.00000  113.01200
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   55    47    52    80.00000  121.38400
   50    43    47    90.00000  110.39200
   50    43    48    50.00000  109.50000
   41    38    39    60.00000  120.04000
   41    44    45    35.00000  119.80000
   41    44    46    35.00000  119.80000
   44    41    42    80.00000  122.90000
   46    44    45    35.00000  120.00000
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
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   53    59    66    68   0.15000  1.0 3.0
   53    59    66    69   0.15000  1.0 3.0
   54    53    59    60   0.13050  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   54    53    59    66   0.15000  1.0 3.0
   60    59    62    63   0.13050  1.0 3.0
   60    59    62    64   0.13050  1.0 3.0
   60    59    62    65   0.13050  1.0 3.0
   60    59    66    67   0.13050  1.0 3.0
   60    59    66    68   0.13050  1.0 3.0
   60    59    66    69   0.13050  1.0 3.0
   62    59    66    67   0.15000  1.0 3.0
   62    59    66    68   0.15000  1.0 3.0
   62    59    66    69   0.15000  1.0 3.0
   66    59    62    63   0.15000  1.0 3.0
   66    59    62    64   0.15000  1.0 3.0
   66    59    62    65   0.15000  1.0 3.0
   55    47    52    57   7.00000 -1.0 2.0
   55    47    52    78   7.00000 -1.0 2.0
   50    43    47    52   0.67800  1.0 1.0
   50    43    47    52   0.47050 -1.0 2.0
   50    43    47    52  -0.62500  1.0 3.0
   50    43    47    55   0.09700  1.0 1.0
   50    43    47    55   0.15600 -1.0 2.0
   50    43    47    55  -0.50800  1.0 3.0
   50    43    48    89   0.86500  1.0 1.0
   50    43    48    89  -0.17500 -1.0 2.0
   50    43    48    89   0.20800  1.0 3.0
   50    43    48    49   0.23400  1.0 3.0
   50    43    48    53   0.86500  1.0 1.0
   50    43    48    53  -0.17500 -1.0 2.0
   50    43    48    53   0.20800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   42    41    44    45   2.45000 -1.0 2.0
   42    41    44    46   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   43    55    47    52   1.10000 -1.0 2.0
   57    78    52    47   1.10000 -1.0 2.0
   52    61    57    58  10.50000 -1.0 2.0
   70    92    61    57   4.00000 -1.0 2.0
   71    72    70    61   4.00000 -1.0 2.0
   75    77    71    70   4.00000 -1.0 2.0
   80    76    75    71   1.10000 -1.0 2.0
   92    93    80    75   4.00000 -1.0 2.0
   80    95    92    61   4.00000 -1.0 2.0
   94    97    93    80   1.00000 -1.0 2.0
   93    99    97    98  10.50000 -1.0 2.0
   85    71    77    81   1.00000 -1.0 2.0
   38    44    41    42  10.50000 -1.0 2.0
   46    41    44    45   1.00000 -1.0 2.0
END
