* LIGAND DATABASE FILE (OPLS2005)
*
001     108   113    221    364     660
    1     0 S   NP   _N1_     1    28.47598    91.12939   -20.27545
    2     1 S   H    _HN1     2     1.02950   101.51720     2.10208
    3     1 S   H    _H1_     3     1.02824    24.89033   107.97646
    4     1 S   H    _H2_     4     1.02788    87.38686  -106.09830
    5     1 S   CT   _CA1     5     1.50151   133.56211   135.32083
    6     5 S   HC   _HA1     6     1.09565   105.17245    47.33329
    7     5 S   CO3  _C1_     7     1.53784   112.36359   -72.89105
    8     7 S   O2Z  _O11     8     1.26383   114.98678   -41.84879
    9     7 S   O2Z  _O12     9     1.26220   114.98590   137.10146
   10     5 S   CT   _CB1    10     1.53089   107.39962   165.38960
   11    10 S   HC   HB11    11     1.09833   109.46228   -47.98789
   12    10 S   HC   HB12    12     1.09816   110.39715    68.64190
   13    10 S   CT   _CG1    13     1.53018   112.67065  -168.90554
   14    13 S   HC   HG11    14     1.09605   110.60818   -64.99258
   15    13 S   HC   HG12    15     1.09659   109.82404    54.26155
   16    13 S   C    _CD1    16     1.51880   112.13300   174.79207
   17    16 S   O    _OE1    17     1.22743   123.22974     7.94127
   18    16 S   N    _N2_    18     1.38611   111.75407  -172.73510
   19    18 S   H    _HN2    19     1.01604   118.96774     2.09134
   20    18 S   CT1  _CA2    20     1.46412   123.49261  -179.46295
   21    20 S   HC   _HA2    21     1.09732   109.40837    -3.52764
   22    20 S   C    _C2_    22     1.53377   108.65643  -119.21474
   23    22 S   O    _O2_    23     1.23041   122.28313  -148.53634
   24    20 S   CT   _CB2    32     1.53526   111.10957   118.42816
   25    24 S   HC   HB21    33     1.09313   108.70546    56.45284
   26    24 S   HC   HB22    34     1.09469   110.93519   175.51651
   27    22 S   N    _N3_    24     1.38338   113.57029    38.98293
   28    27 S   H    _HN3    25     1.01623   119.51311    -3.62488
   29    24 S   S    _SG2    35     1.82542   110.55525   -64.53237
   30    27 S   CT   _CA3    26     1.45282   123.16467   176.99313
   31    30 S   HC   HA31    27     1.09551   107.53842   -63.76662
   32    30 S   HC   HA32    28     1.09558   107.93684    52.64370
   33    29 S   CT   _C21    36     1.84460   101.69691   171.95289
   34    33 S   HC   _H3_    37     1.09620   107.50226    64.04658
   35    30 S   CO3  _C3_    29     1.52944   114.12636   174.63995
   36    35 S   O2Z  _O31    30     1.26370   116.07572    -0.04846
   37    35 S   O2Z  _O32    31     1.26430   114.40823   180.00000
   38    33 S   CT   _C9_    38     1.52364   114.63346   -56.71158
   39    38 S   HC   _H38    39     1.09604   111.35502   179.94065
   40    38 S   HC   _H39    40     1.09375   111.63958    62.17633
   41    38 S   CO4  _C7_    41     1.51060   110.67316   -59.98955
   42    41 S   O    _O30    42     1.23248   118.76021   129.77670
   43    41 S   CT   _C23    43     1.55560   117.96556   -53.70419
   44    43 S   CT   _C15    44     1.59136   107.29865   159.37819
   45    44 S   HC   _H50    45     1.10187   106.55603   -39.36344
   46    43 S   C3T  _C25    95     1.54827   109.66935    37.33382
   47    43 S   CT   _C27   105     1.54379   106.59687   -80.72327
   48    47 S   HC   _H61   106     1.09531   111.34254  -170.84951
   49    47 S   HC   _H62   107     1.09434   111.92035    69.32419
   50    47 S   HC   _H63   108     1.09557   111.88845   -49.35743
   51    44 S   CT   _C11    46     1.55866   113.33374    76.98695
   52    51 S   HC   _H42    47     1.09473   110.14636    59.17775
   53    51 S   HC   _H43    48     1.09403   110.65122   -57.51587
   54    33 S   CT   _C20    96     1.53551   108.36476  -178.07603
   55    54 S   HC   _H55    97     1.09767   109.75742   -54.82435
   56    82 S   O3T  _O34   100     1.42332   115.56534   -41.46629
   57    51 S   CT   _C13    49     1.53720   114.12722  -178.97588
   58    57 S   HC   _H46    50     1.09740   108.75865    66.58741
   59    57 S   HC   _H47    51     1.09339   108.08225  -178.26675
   60    54 S   OH   _O35    98     1.42960   109.81349  -170.52479
   61    60 S   HO   _H73    99     0.97249   107.55574    62.72512
   62    57 S   CT   _C24    52     1.53718   111.80085   -55.43613
   63    62 S   CT   _C16    53     1.54677   106.19600    56.60840
   64    63 S   HC   _H51    54     1.10348   107.77032    56.37215
   65    62 S   CT   _C28   101     1.54695   110.43015   -67.08046
   66    65 S   HC   _H64   102     1.09454   112.43867  -176.19265
   67    65 S   HC   _H65   103     1.09304   112.76601    63.17910
   68    65 S   HC   _H66   104     1.09495   110.86670   -56.41338
   69    63 S   CT   _C10    55     1.52200   103.91689   168.17802
   70    69 S   HC   _H40    56     1.09482   112.13937  -155.09927
   71    69 S   HC   _H41    57     1.09571   111.54811    84.08780
   72    44 S   CT   _C17    88     1.55850   114.36835  -155.67631
   73    72 S   HC   _H52    89     1.09628   109.19273   -60.29051
   74    69 S   CT   _C12    58     1.53417   103.93884   -35.03605
   75    74 S   HC   _H44    59     1.09601   109.31653   129.68662
   76    74 S   HC   _H45    60     1.09571   110.66308  -112.13025
   77    72 S   CT   _C14    90     1.53067   110.47314    59.02177
   78    77 S   HC   _H48    91     1.09728   110.13524    68.21644
   79    77 S   HC   _H49    92     1.09611   109.99312  -174.39178
   80    62 S   CT   _C18    61     1.56007   115.82392   165.70921
   81    80 S   HC   _H53    62     1.09827   106.89017   -41.63157
   82    77 S   C3T  _C19    93     1.48003   113.07296   -53.02807
   83    82 S   HC   _H54    94     1.08212   112.41313   179.24983
   84    80 S   CT   _C31    63     1.55331   119.77507    80.44474
   85    84 S   HC   _H72    64     1.09854   108.77410    59.28271
   86    84 S   CT   _C22    65     1.55807   112.15977   176.25467
   87    86 S   HC   _H57    66     1.09753   108.61810   -58.58603
   88    84 S   CT   _C29    84     1.53507   112.41307   -57.95295
   89    88 S   HC   _H67    85     1.09464   111.57977   -47.98371
   90    88 S   HC   _H68    86     1.09470   111.83129  -168.98022
   91    88 S   HC   _H69    87     1.09274   110.92842    72.85155
   92    86 S   CT   _C8_    67     1.52365   114.64295    64.79946
   93    92 S   HC   _H36    68     1.09566   112.01769    55.34958
   94    92 S   HC   _H37    69     1.09494   109.65793   -64.57991
   95    92 S   CM   _C5_    70     1.50500   109.27041   174.98878
   96    95 S   CM   _C4_    71     1.34874   120.67701   -29.25309
   97    95 S   CT   _C26    80     1.50391   114.35163   151.67576
   98    97 S   HC   _H58    81     1.09479   110.12913   -69.80706
   99    97 S   HC   _H59    82     1.09248   113.47655   168.78174
  100    97 S   HC   _H60    83     1.09565   109.96512    49.46462
  101    96 S   CO4  _C6_    72     1.49230   119.46459    -4.19778
  102   101 S   O    _O29    73     1.22695   121.62415  -165.82922
  103    96 S   CT   _C30    75     1.50257   125.16477   177.30616
  104   103 S   HC   _H70    76     1.09381   112.41879   -26.00420
  105   103 S   HC   _H71    77     1.09579   110.90406  -145.10702
  106    86 S   OS   _O33    74     1.44497   108.24983  -173.12693
  107   103 S   OH   _O36    78     1.42049   109.25025    94.93617
  108   107 S   HO   _H74    79     0.97221   107.05166   176.74141
  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  10   5   4   3
  14   8   2   1   1  11   5   4  14   4  21  24  10  16   8   2
   1   1  12   6   5   7   4   7  15   5   4   2   1  21  20   9
   9   3   2   1  11   6   5   8   4   8   4   3   4   3   2  11
   4   1   1  13   8  14   7   5   2   1   1  11   5   4  12  12
   5   2   1   1   6   2   5   3   2   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    54    55    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    82    46    54    55    60    61    56  
   38    39    40    41    46    54    55    60  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    54    55    60    47  
   40    41    42    43    54  
   41    42    43    54  
   42    43    44    45    51    72    82    46    54    56    47    48    49    50  
   43    44    46    47  
   44    45    51    52    53    57    63    72    73    77    82    83    46    54    55    60    56    47    48    49    50  
   45    51    52    53    57    58    59    62    63    64    69    72    73    77    78    79    82    46    54    56    47    48    49    50  
   51    52    53    57    63    72    73    77    46    47  
   54    55    60    61    56    47    48    49    50    51    72    77    78    79    82    83  
   48    49    50    51    54    56    72    82  
   49    50  
   50  
    0  
   52    53    57    58    59    62    63    80    72    73    77    65  
   53    57    58    59    62    72  
   57    58    59    62    72  
   55    60    61    56    77    82    83  
   60    61    56    82  
   60    72    77    78    79    82    83  
   58    59    62    63    64    69    74    80    81    84    72    65    66    67    68  
   59    62    63    80    65  
   62    63    80    65  
   61    82  
    0  
   63    64    69    70    71    74    75    76    80    81    84    85    86    88    72    73    77    65    66    67    68  
   64    69    70    71    74    75    76    80    81    84    72    73    77    78    79    82    65    66    67    68  
   69    70    71    74    80    72    73    77    65  
   66    67    68    69    72    74    80    81    84  
   67    68    80  
   68    80  
   80  
   70    71    74    75    76    80    81    84    72    73    77  
   71    74    75    76    80    72  
   74    75    76    80    72  
   73    77    78    79    82    83    74    80  
   77    78    79    82  
   75    76    80    81    84    85    86    88  
   76    80    81    84  
   80    81    84  
   78    79    82    83  
   79    82    83  
   82    83  
   81    84    85    86    87    92   106    88    89    90    91  
   84    85    86    88  
   83  
    0  
   85    86    87    92    93    94    95   101   106    88    89    90    91  
   86    87    92   106    88    89    90    91  
   87    92    93    94    95    96   101   102   106    97    88    89    90    91  
   92    93    94    95   101   106    88  
   89    90    91    92   106  
   90    91  
   91  
    0  
   93    94    95    96   101   106   103    97    98    99   100  
   94    95    96   106    97  
   95    96   106    97  
   96   101   102   106   103   104   105   107    97    98    99   100  
  101   102   106   103   104   105   107   108    97    98    99   100  
   98    99   100   101   103  
   99   100  
  100  
    0  
  102   106   103   104   105   107  
  106   103  
  104   105   107   108   106  
  105   107   108  
  107   108  
    0  
  108  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  103   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  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
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    54   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   275.000  1.510
   43    47   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    72   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   268.000  1.529
   62    80   268.000  1.529
   62    65   268.000  1.529
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    72   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    88   268.000  1.529
   86    87   340.000  1.090
   86    92   268.000  1.529
   86   106   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   317.000  1.510
   95    96   549.000  1.340
   95    97   317.000  1.510
   96   101   320.000  1.462
   96   103   317.000  1.510
  101   102   570.000  1.229
  101   106   214.000  1.327
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   107   320.000  1.410
  107   108   553.000  0.945
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   72    73   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   275.000  1.510
   82    83   340.000  1.088
   82    46   260.000  1.509
   82    56   335.000  1.432
   46    54   275.000  1.510
   46    56   335.000  1.432
   54    55   340.000  1.090
   54    60   320.000  1.410
   60    61   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    54    46    70.00000  112.37300
   33    54    55    37.50000  110.70000
   33    54    60    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    47    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    51    58.35000  112.70000
   43    44    72    58.35000  112.70000
   43    46    82    60.00000  120.94000
   43    46    54    58.35000  112.70000
   43    46    56    80.00000  116.47100
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    57    58.35000  112.70000
   44    72    63    58.35000  112.70000
   44    72    73    37.50000  110.70000
   44    72    77    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    62    63    58.35000  112.70000
   57    62    80    58.35000  112.70000
   57    62    65    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    69    58.35000  112.70000
   62    63    72    58.35000  112.70000
   62    80    74    58.35000  112.70000
   62    80    81    37.50000  110.70000
   62    80    84    58.35000  112.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    74    58.35000  112.70000
   63    72    73    37.50000  110.70000
   63    72    77    58.35000  112.70000
   69    63    64    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    80    58.35000  112.70000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    84    58.35000  112.70000
   76    74    75    33.00000  107.80000
   80    62    63    58.35000  112.70000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    84    85    37.50000  110.70000
   80    84    86    58.35000  112.70000
   80    84    88    58.35000  112.70000
   84    80    81    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    92    58.35000  112.70000
   84    86   106    50.00000  109.50000
   84    88    89    37.50000  110.70000
   84    88    90    37.50000  110.70000
   84    88    91    37.50000  110.70000
   86    84    85    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    70.00000  112.02700
   86   106   101    83.00000  116.90000
   92    86    87    37.50000  110.70000
   92    95    96    70.00000  124.00000
   92    95    97    65.00000  117.92700
   94    92    93    33.00000  107.80000
   95    92    93    35.00000  109.50000
   95    92    94    35.00000  109.50000
   95    96   101    65.00000  118.96000
   95    96   103    70.00000  124.00000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   96   101   102    80.00000  123.72100
   96   101   106    90.00000  111.29400
   96   103   104    35.00000  109.50000
   96   103   105    35.00000  109.50000
   96   103   107    90.00000  110.39200
  106    86    87    35.00000  109.50000
  106    86    92    50.00000  109.50000
  106   101   102    83.00000  123.40000
  103    96   101    65.00000  116.34900
  103   107   108    55.00000  108.50000
  105   103   104    33.00000  107.80000
  107   103   104    35.00000  109.50000
  107   103   105    35.00000  109.50000
   97    95    96    70.00000  124.00000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   88    84    85    37.50000  110.70000
   88    84    86    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   72    44    45    37.50000  110.70000
   72    44    51    58.35000  112.70000
   72    63    64    37.50000  110.70000
   72    63    69    58.35000  112.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    82    70.00000  112.37300
   77    72    73    37.50000  110.70000
   77    82    83    40.00000  115.04500
   77    82    46    60.00000  120.94000
   77    82    56    80.00000  116.47100
   79    77    78    33.00000  107.80000
   82    77    78    45.00000  109.38400
   82    77    79    45.00000  109.38400
   82    46    54    60.00000  120.94000
   82    46    56    15.00000   60.43100
   82    56    46    15.00000   59.14900
   46    43    44    70.00000  112.37300
   46    82    83    37.50000  117.20000
   46    54    55    45.00000  109.38400
   46    54    60    50.00000  109.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    60    61    55.00000  108.50000
   60    54    55    35.00000  109.50000
   56    82    83    50.00000  114.27700
   56    82    46    15.00000   60.43100
   56    46    54    80.00000  116.47100
   65    62    63    58.35000  112.70000
   65    62    80    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   47    43    44    58.35000  112.70000
   47    43    46    70.00000  112.37300
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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
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   93    92    95    97   0.34800  1.0 3.0
   94    92    95    96   0.00000  1.0 1.0
   94    92    95    97   0.34800  1.0 3.0
   95    96   101   102   1.00000 -1.0 2.0
   95    96   101   106  -0.56150  1.0 1.0
   95    96   101   106   2.19150 -1.0 2.0
   95    96   103   104   0.00000  1.0 1.0
   95    96   103   105   0.00000  1.0 1.0
   95    96   103   107   0.67800  1.0 1.0
   95    96   103   107   0.47050 -1.0 2.0
   95    96   103   107  -0.62500  1.0 3.0
   96    95    97    98   0.00000  1.0 1.0
   96    95    97    99   0.00000  1.0 1.0
   96    95    97   100   0.00000  1.0 1.0
   96   101  -106    86   2.00000 -1.0 2.0
   96   103   107   108  -0.07800  1.0 1.0
   96   103   107   108  -0.21500 -1.0 2.0
   96   103   107   108  -0.03150  1.0 3.0
  101    96   103   104   0.15000  1.0 3.0
  101    96   103   105   0.15000  1.0 3.0
  101    96   103   107   0.09700  1.0 1.0
  101    96   103   107   0.15600 -1.0 2.0
  101    96   103   107  -0.50800  1.0 3.0
  102   101   106    86   3.00000 -1.0 2.0
  106    86    92    93   0.23400  1.0 3.0
  106    86    92    94   0.23400  1.0 3.0
  106    86   -92    95   0.61850  1.0 1.0
  106    86   -92    95  -0.22750 -1.0 2.0
  106    86   -92    95   0.15300  1.0 3.0
  103    96   101   102  -0.64400  1.0 1.0
  103    96   101   102   0.26850 -1.0 2.0
  103    96   101   106  -0.15000  1.0 1.0
  103    96   101   106   0.89550 -1.0 2.0
  103    96   101   106  -0.06900  1.0 3.0
  104   103   107   108   0.19450  1.0 3.0
  105   103   107   108   0.19450  1.0 3.0
   97    95    96   101   7.00000 -1.0 2.0
   97    95    96   103   7.00000 -1.0 2.0
   88    84    86    87   0.15000  1.0 3.0
   88    84    86    92   0.56750  1.0 1.0
   88    84    86    92  -0.07550 -1.0 2.0
   88    84    86    92   0.20000  1.0 3.0
   88    84    86   106   0.62750  1.0 1.0
   88    84    86   106  -0.30950 -1.0 2.0
   88    84    86   106   0.27300  1.0 3.0
   72    44    51    52   0.15000  1.0 3.0
   72    44    51    53   0.15000  1.0 3.0
   72    44   -51    57   0.56750  1.0 1.0
   72    44   -51    57  -0.07550 -1.0 2.0
   72    44   -51    57   0.20000  1.0 3.0
   72    63    69    70   0.15000  1.0 3.0
   72    63    69    71   0.15000  1.0 3.0
   72    63    69    74   0.56750  1.0 1.0
   72    63    69    74  -0.07550 -1.0 2.0
   72    63    69    74   0.20000  1.0 3.0
   72    77    82    83   0.15000  1.0 3.0
   72    77    82    46   0.07850  1.0 1.0
   72    77    82    46  -0.03950 -1.0 2.0
   72    77    82    46   0.67350  1.0 3.0
   72    77    82    56   0.02550  1.0 1.0
   72    77    82    56  -0.02600 -1.0 2.0
   72    77    82    56   1.20400  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    82   0.15000  1.0 3.0
   77    82   -46    43   0.56750  1.0 1.0
   77    82   -46    43  -0.07550 -1.0 2.0
   77    82   -46    43   0.20000  1.0 3.0
   77    82    46    54   0.56750  1.0 1.0
   77    82    46    54  -0.07550 -1.0 2.0
   77    82    46    54   0.20000  1.0 3.0
   77    82   -46    56   0.02550  1.0 1.0
   77    82   -46    56  -0.02600 -1.0 2.0
   77    82   -46    56   1.20400  1.0 3.0
   77    82   -56    46   0.06250  1.0 1.0
   77    82   -56    46  -0.01100 -1.0 2.0
   77    82   -56    46   0.28050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    46   0.15000  1.0 3.0
   78    77    82    56   0.23400  1.0 3.0
   79    77    82    83   0.15000  1.0 3.0
   79    77    82    46   0.15000  1.0 3.0
   79    77    82    56   0.23400  1.0 3.0
   82    46    54    33   0.07850  1.0 1.0
   82    46    54    33  -0.03950 -1.0 2.0
   82    46    54    33   0.67350  1.0 3.0
   82    46    54    55   0.15000  1.0 3.0
   82    46    54    60   0.86500  1.0 1.0
   82    46    54    60  -0.17500 -1.0 2.0
   82    46    54    60   0.20800  1.0 3.0
   83    82    46    43   0.15000  1.0 3.0
   83    82    46    54   0.15000  1.0 3.0
   83    82   -46    56   0.23400  1.0 3.0
   83    82   -56    46   0.36800  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    51   0.47050  1.0 1.0
   46    43    44    51   0.03900 -1.0 2.0
   46    43    44    51   0.20100  1.0 3.0
   46    43   -44    72   0.47050  1.0 1.0
   46    43   -44    72   0.03900 -1.0 2.0
   46    43   -44    72   0.20100  1.0 3.0
   46    43    47    48   0.15000  1.0 3.0
   46    43    47    49   0.15000  1.0 3.0
   46    43    47    50   0.15000  1.0 3.0
   46    54    60    61  -0.11600  1.0 1.0
   46    54    60    61  -0.09450 -1.0 2.0
   46    54    60    61   0.21250  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33   -38    41  -0.95700  1.0 1.0
   54    33   -38    41  -0.18200 -1.0 2.0
   54    33   -38    41   0.29450  1.0 3.0
   54    46   -56    82   0.06250  1.0 1.0
   54    46   -56    82  -0.01100 -1.0 2.0
   54    46   -56    82   0.28050  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   56    82   -46    43   0.02550  1.0 1.0
   56    82   -46    43  -0.02600 -1.0 2.0
   56    82   -46    43   1.20400  1.0 3.0
   56    82   -46    54   0.02550  1.0 1.0
   56    82   -46    54  -0.02600 -1.0 2.0
   56    82   -46    54   1.20400  1.0 3.0
   56    46    54    33   0.02550  1.0 1.0
   56    46    54    33  -0.02600 -1.0 2.0
   56    46    54    33   1.20400  1.0 3.0
   56    46    54    55   0.23400  1.0 3.0
   56    46    54    60   3.69350  1.0 1.0
   56    46    54    60  -1.82950 -1.0 2.0
   65    62    63    64   0.15000  1.0 3.0
   65    62    63    69   0.56750  1.0 1.0
   65    62    63    69  -0.07550 -1.0 2.0
   65    62    63    69   0.20000  1.0 3.0
   65    62    63    72   0.56750  1.0 1.0
   65    62    63    72  -0.07550 -1.0 2.0
   65    62    63    72   0.20000  1.0 3.0
   65    62    80    74   0.56750  1.0 1.0
   65    62    80    74  -0.07550 -1.0 2.0
   65    62    80    74   0.20000  1.0 3.0
   65    62    80    81   0.15000  1.0 3.0
   65    62    80    84   0.56750  1.0 1.0
   65    62    80    84  -0.07550 -1.0 2.0
   65    62    80    84   0.20000  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    51   0.56750  1.0 1.0
   47    43    44    51  -0.07550 -1.0 2.0
   47    43    44    51   0.20000  1.0 3.0
   47    43    44    72   0.56750  1.0 1.0
   47    43    44    72  -0.07550 -1.0 2.0
   47    43    44    72   0.20000  1.0 3.0
   47    43    46    82   0.07850  1.0 1.0
   47    43    46    82  -0.03950 -1.0 2.0
   47    43    46    82   0.67350  1.0 3.0
   47    43    46    54   0.56750  1.0 1.0
   47    43    46    54  -0.07550 -1.0 2.0
   47    43    46    54   0.20000  1.0 3.0
   47    43    46    56   0.02550  1.0 1.0
   47    43    46    56  -0.02600 -1.0 2.0
   47    43    46    56   1.20400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   92    97    95    96   1.10000 -1.0 2.0
  101   103    96    95   1.10000 -1.0 2.0
   96   106   101   102  10.50000 -1.0 2.0
END
