* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    224    365     682
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02175    49.42323  -126.77942
    3     1 S   H    _H1_     3     1.02123   105.99149   -25.60822
    4     1 S   H    _H2_     4     1.02072    62.93253    77.58723
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.85061    97.24815   161.85365
   34    33 S   HC   _H3_    37     1.09887   104.36551   -33.34894
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C10    38     1.53459   106.45194    80.00906
   39    38 S   HC   _H43    39     1.09771   110.75623    59.64399
   40    38 S   HC   _H44    40     1.09825   109.17202   -57.07783
   41    38 S   CT   _C14    41     1.53354   112.36323  -177.50260
   42    41 S   HC   _H49    42     1.09403   107.51156    64.71355
   43    41 S   CT   _C12    43     1.53479   110.65545  -176.59366
   44    43 S   HC   _H47    44     1.10356   106.50392    62.76134
   45    41 S   CT   _C13    60     1.55862   110.84271   -55.41316
   46    45 S   HC   _H48    61     1.09855   105.56837   -59.41655
   47    43 S   CT   _C4_    45     1.52673   119.00376   -56.54418
   48    47 S   HC   _H31    46     1.09395   111.98733    78.77473
   49    47 S   HC   _H32    47     1.09637   111.52136   -41.93466
   50    45 S   CT   _C19    62     1.58994   112.16234    57.18969
   51    47 S   CT   _C6_    48     1.54050   104.18597  -160.97316
   52    51 S   HC   _H35    49     1.09595   109.82759   128.88165
   53    51 S   HC   _H36    50     1.09563   110.95778  -112.57599
   54    50 S   CT   _C9_    63     1.56451   110.55489  -176.76978
   55    54 S   HC   _H41    64     1.09662   110.71074   -58.95153
   56    54 S   HC   _H42    65     1.09821   109.88621  -173.71066
   57    50 S   CT   _C22    78     1.56068   109.34469    66.81540
   58    57 S   HC   _H56    79     1.07838   108.10742   -60.75319
   59    57 S   HC   _H57    80     1.07784   108.16402   179.27909
   60    57 S   HC   _H58    81     1.07724   108.15482    59.24513
   61    51 S   CT   _C15    51     1.54579   106.27372     7.44840
   62    61 S   HC   _H50    52     1.09961   107.59048   -92.97096
   63    54 S   CT   _C7_    66     1.52669   113.79880    64.16389
   64    63 S   HC   _H37    67     1.09674   108.35507   177.29448
   65    63 S   HC   _H38    68     1.09573   110.15482   -66.36459
   66    43 S   CT   _C18    53     1.54269   113.13969  -178.44480
   67    63 S   CT   _C16    69     1.52331   112.08650    56.31360
   68    67 S   HC   _H51    70     1.08642   109.36670  -172.08076
   69    61 S   CT   _C29    86     1.52134   112.91203   149.06779
   70    69 S   HC   _H74    87     1.09954   108.66627   -79.96645
   71    66 S   CT   _C8_    54     1.53314   107.47296   -62.61188
   72    71 S   HC   _H39    55     1.09806   110.18313   -63.47971
   73    71 S   HC   _H40    56     1.09735   110.61146   179.32885
   74    67 S   CT   _C11    71     1.53848   112.91061   -50.53721
   75    74 S   HC   _H45    72     1.09882   107.45811   172.85897
   76    74 S   HC   _H46    73     1.09668   107.00465   -73.68560
   77    67 S   OH   _O29    76     1.42620   109.78349    71.88404
   78    77 S   HO   _H76    77     0.96956   106.49234   -59.98336
   79    66 S   CT   _C21    82     1.54871   114.10616    59.38205
   80    79 S   HC   _H53    83     1.08164   108.74555    59.22953
   81    79 S   HC   _H54    84     1.08212   108.76494   -60.71351
   82    79 S   HC   _H55    85     1.08184   108.74718   179.22671
   83    69 S   CT   _C23    88     1.53326   109.88380   162.65402
   84    83 S   HC   _H59    89     1.09532   111.15296   -61.91342
   85    83 S   HC   _H60    90     1.09507   110.74570    58.16919
   86    83 S   HC   _H61    91     1.09548   111.13068   177.74250
   87    69 S   CT   _C27    92     1.54455   112.82275    40.18205
   88    87 S   HC   _H70    93     1.09795   109.59252   179.98022
   89    87 S   HC   _H71    94     1.09512   108.39999   -63.80325
   90    71 S   CT   _C5_    57     1.53960   111.60207    57.16876
   91    90 S   HC   _H33    58     1.09337   108.63037    71.22190
   92    90 S   HC   _H34    59     1.09516   106.94521  -174.36807
   93    33 S   CT   _C20    74     1.57484   115.32750  -153.60198
   94    93 S   OM   _O28    75     1.32866   106.75775    63.95992
   95    87 S   CT   _C26    95     1.53200   113.29289    57.45335
   96    95 S   HC   _H68    96     1.09568   109.54159    63.02228
   97    95 S   HC   _H69    97     1.09508   109.99803   -53.46829
   98    95 S   CT   _C28    98     1.53518   113.49237  -177.37579
   99    98 S   HC   _H72    99     1.09825   108.31969    60.01751
  100    98 S   HC   _H73   100     1.09796   107.83072   -54.44478
  101    98 S   CT   _C30   101     1.53991   116.12159  -177.15146
  102   101 S   HC   _H75   102     1.09612   109.27178    57.27903
  103   101 S   CT   _C24   103     1.53131   109.69592   -59.98091
  104   103 S   HC   _H62   104     1.09547   111.29204   -61.48165
  105   103 S   HC   _H63   105     1.09553   110.83672   178.28822
  106   103 S   HC   _H64   106     1.09536   110.79764    58.81033
  107   101 S   CT   _C25   107     1.52992   112.46570   177.60151
  108   107 S   HC   _H65   108     1.09415   111.29090    59.14456
  109   107 S   HC   _H66   109     1.09499   111.22859   179.90935
  110   107 S   HC   _H67   110     1.09520   110.76545   -60.01745
  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
  17   8   2   1   1  15   6   5  20   8  22   9  21   8  11   6
   5  20  11   5   4  16   7   6   8   3   2   1  20   7  10   5
   4  14   8   6  14   8   9   5   4   6   4   3   2   1   4   2
   1   1   7   3   2   1   9   5   4   3   1   1   1   1   9   5
   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    93    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    50    74    93    94  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    50    54    67    74    75    76    93    94    57  
   38    39    40    41    50    74    93    94  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    66    90    45    46    50    74    93    94  
   40    41    42    43    45    93  
   41    42    43    45    93  
   42    43    44    47    48    49    51    61    66    71    90    91    92    45    46    50    54    93    57    79  
   43    44    47    66    90    45    46    50  
   44    47    48    49    51    52    53    61    62    66    71    72    73    90    45    46    50    79    80    81    82    69  
   47    48    49    51    61    66    71    45    79  
   46    50    54    55    56    63    74    93    94    57    58    59    60    47    66    71    72    73    90    91    92  
   50    54    93    57    71    90    91    92  
   48    49    51    52    53    61    62    66    71    79    69  
   49    51    52    53    61    66  
   51    52    53    61    66  
   54    55    56    63    64    65    67    74    75    76    93    94    57    58    59    60    71    90    91    92  
   52    53    61    62    66    71    79    69    70    83    87  
   53    61    62    66    69  
   61    62    66    69  
   55    56    63    64    65    67    68    74    93    94    77    57    58    59    60    90  
   56    63    64    65    67    93    57  
   63    64    65    67    93    57  
   58    59    60    63    74    90    93    94  
   59    60    93  
   60    93  
   93  
   62    66    71    72    73    90    79    80    81    82    69    70    83    84    85    86    87    88    89    95  
   66    71    79    69    70    83    87  
   64    65    67    68    74    75    76    93    77    78  
   65    67    68    74    77  
   67    68    74    77  
   71    72    73    90    91    92    79    80    81    82    69    70    83    87  
   68    74    75    76    93    94    77    78  
   74    75    76    93    77    78  
   70    83    84    85    86    87    88    89    95    96    97    98    71    79  
   83    84    85    86    87    88    89    95  
   72    73    90    91    92    79    80    81    82  
   73    90    91    92    79  
   90    91    92    79  
   75    76    93    94    77    78  
   76    93    94    77  
   93    94    77  
   78    93  
    0  
   80    81    82    90  
   81    82  
   82  
    0  
   84    85    86    87    88    89    95  
   85    86    87  
   86    87  
   87  
   88    89    95    96    97    98    99   100   101  
   89    95    96    97    98  
   95    96    97    98  
   91    92    93  
   92  
    0  
   94  
    0  
   96    97    98    99   100   101   102   103   107  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101   102   103   104   105   106   107   108   109   110  
  100   101   102   103   107  
  101   102   103   107  
  102   103   104   105   106   107   108   109   110  
  103   104   105   106   107   108   109   110  
  104   105   106   107   108   109   110  
  105   106   107  
  106   107  
  107  
  108   109   110  
  109   110  
  110  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   94   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   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   340.000  1.090
   33    38   268.000  1.529
   33    93   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    66   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    61   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    69   268.000  1.529
   66    71   268.000  1.529
   66    79   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    45   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    54   268.000  1.529
   50    93   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    74   268.000  1.529
   67    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    93   268.000  1.529
   93    94   570.000  1.307
   77    78   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   69    70   340.000  1.090
   69    83   268.000  1.529
   69    87   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   268.000  1.529
  101   107   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   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    93    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    93    50    58.35000  112.70000
   33    93    74    58.35000  112.70000
   33    93    94    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    66    58.35000  112.70000
   41    45    90    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    50    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    51    58.35000  112.70000
   43    66    61    58.35000  112.70000
   43    66    71    58.35000  112.70000
   43    66    79    58.35000  112.70000
   47    43    44    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    61    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    66    58.35000  112.70000
   51    61    69    58.35000  112.70000
   53    51    52    33.00000  107.80000
   61    51    52    37.50000  110.70000
   61    51    53    37.50000  110.70000
   61    66    71    58.35000  112.70000
   61    66    79    58.35000  112.70000
   61    69    70    37.50000  110.70000
   61    69    83    58.35000  112.70000
   61    69    87    58.35000  112.70000
   66    43    44    37.50000  110.70000
   66    43    47    58.35000  112.70000
   66    61    62    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    90    58.35000  112.70000
   66    79    80    37.50000  110.70000
   66    79    81    37.50000  110.70000
   66    79    82    37.50000  110.70000
   71    90    91    37.50000  110.70000
   71    90    92    37.50000  110.70000
   71    90    45    58.35000  112.70000
   73    71    72    33.00000  107.80000
   90    71    72    37.50000  110.70000
   90    71    73    37.50000  110.70000
   90    45    46    37.50000  110.70000
   90    45    50    58.35000  112.70000
   92    90    91    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    58.35000  112.70000
   45    90    91    37.50000  110.70000
   45    90    92    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    93    58.35000  112.70000
   45    50    57    58.35000  112.70000
   50    45    46    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    58.35000  112.70000
   50    93    74    58.35000  112.70000
   50    93    94    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    67    58.35000  112.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    74    58.35000  112.70000
   63    67    77    50.00000  109.50000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    93    58.35000  112.70000
   67    77    78    55.00000  108.50000
   74    67    68    37.50000  110.70000
   74    93    94    50.00000  109.50000
   76    74    75    33.00000  107.80000
   93    33    34    37.50000  110.70000
   93    33    38    58.35000  112.70000
   93    50    54    58.35000  112.70000
   93    74    75    37.50000  110.70000
   93    74    76    37.50000  110.70000
   77    67    68    35.00000  109.50000
   77    67    74    50.00000  109.50000
   57    50    54    58.35000  112.70000
   57    50    93    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   79    66    71    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    66    58.35000  112.70000
   69    83    84    37.50000  110.70000
   69    83    85    37.50000  110.70000
   69    83    86    37.50000  110.70000
   69    87    88    37.50000  110.70000
   69    87    89    37.50000  110.70000
   69    87    95    58.35000  112.70000
   83    69    70    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    69    70    37.50000  110.70000
   87    69    83    58.35000  112.70000
   87    95    96    37.50000  110.70000
   87    95    97    37.50000  110.70000
   87    95    98    58.35000  112.70000
   89    87    88    33.00000  107.80000
   95    87    88    37.50000  110.70000
   95    87    89    37.50000  110.70000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
   98   101   102    37.50000  110.70000
   98   101   103    58.35000  112.70000
   98   101   107    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   103   104    37.50000  110.70000
  101   103   105    37.50000  110.70000
  101   103   106    37.50000  110.70000
  101   107   108    37.50000  110.70000
  101   107   109    37.50000  110.70000
  101   107   110    37.50000  110.70000
  103   101   102    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107   101   102    37.50000  110.70000
  107   101   103    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    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
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   63    67    74    93   0.20000  1.0 3.0
   63    67    77    78  -0.11600  1.0 1.0
   63    67    77    78  -0.09450 -1.0 2.0
   63    67    77    78   0.21250  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    74   0.15000  1.0 3.0
   64    63    67    77   0.23400  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    74   0.15000  1.0 3.0
   65    63    67    77   0.23400  1.0 3.0
   67    74    93    33   0.56750  1.0 1.0
   67    74    93    33  -0.07550 -1.0 2.0
   67    74    93    33   0.20000  1.0 3.0
   67    74   -93    50   0.56750  1.0 1.0
   67    74   -93    50  -0.07550 -1.0 2.0
   67    74   -93    50   0.20000  1.0 3.0
   67    74    93    94   0.62750  1.0 1.0
   67    74    93    94  -0.30950 -1.0 2.0
   67    74    93    94   0.27300  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    93   0.15000  1.0 3.0
   68    67    77    78   0.19450  1.0 3.0
   74    67    77    78  -0.11600  1.0 1.0
   74    67    77    78  -0.09450 -1.0 2.0
   74    67    77    78   0.21250  1.0 3.0
   75    74    93    33   0.15000  1.0 3.0
   75    74    93    50   0.15000  1.0 3.0
   75    74    93    94   0.23400  1.0 3.0
   76    74    93    33   0.15000  1.0 3.0
   76    74    93    50   0.15000  1.0 3.0
   76    74    93    94   0.23400  1.0 3.0
   93    33    38    39   0.15000  1.0 3.0
   93    33    38    40   0.15000  1.0 3.0
   93    33   -38    41   0.56750  1.0 1.0
   93    33   -38    41  -0.07550 -1.0 2.0
   93    33   -38    41   0.20000  1.0 3.0
   93    50    54    55   0.15000  1.0 3.0
   93    50    54    56   0.15000  1.0 3.0
   93    50   -54    63   0.56750  1.0 1.0
   93    50   -54    63  -0.07550 -1.0 2.0
   93    50   -54    63   0.20000  1.0 3.0
   93    50    57    58   0.15000  1.0 3.0
   93    50    57    59   0.15000  1.0 3.0
   93    50    57    60   0.15000  1.0 3.0
   77    67    74    75   0.23400  1.0 3.0
   77    67    74    76   0.23400  1.0 3.0
   77    67    74    93   0.86500  1.0 1.0
   77    67    74    93  -0.17500 -1.0 2.0
   77    67    74    93   0.20800  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    63   0.56750  1.0 1.0
   57    50    54    63  -0.07550 -1.0 2.0
   57    50    54    63   0.20000  1.0 3.0
   57    50    93    33   0.56750  1.0 1.0
   57    50    93    33  -0.07550 -1.0 2.0
   57    50    93    33   0.20000  1.0 3.0
   57    50    93    74   0.56750  1.0 1.0
   57    50    93    74  -0.07550 -1.0 2.0
   57    50    93    74   0.20000  1.0 3.0
   57    50    93    94   0.62750  1.0 1.0
   57    50    93    94  -0.30950 -1.0 2.0
   57    50    93    94   0.27300  1.0 3.0
   79    66    71    72   0.15000  1.0 3.0
   79    66    71    73   0.15000  1.0 3.0
   79    66    71    90   0.56750  1.0 1.0
   79    66    71    90  -0.07550 -1.0 2.0
   79    66    71    90   0.20000  1.0 3.0
   69    61    66    43   0.56750  1.0 1.0
   69    61    66    43  -0.07550 -1.0 2.0
   69    61    66    43   0.20000  1.0 3.0
   69    61    66    71   0.56750  1.0 1.0
   69    61    66    71  -0.07550 -1.0 2.0
   69    61    66    71   0.20000  1.0 3.0
   69    61    66    79   0.56750  1.0 1.0
   69    61    66    79  -0.07550 -1.0 2.0
   69    61    66    79   0.20000  1.0 3.0
   69    87    95    96   0.15000  1.0 3.0
   69    87    95    97   0.15000  1.0 3.0
   69    87    95    98   0.56750  1.0 1.0
   69    87    95    98  -0.07550 -1.0 2.0
   69    87    95    98   0.20000  1.0 3.0
   70    69    83    84   0.15000  1.0 3.0
   70    69    83    85   0.15000  1.0 3.0
   70    69    83    86   0.15000  1.0 3.0
   70    69    87    88   0.15000  1.0 3.0
   70    69    87    89   0.15000  1.0 3.0
   70    69    87    95   0.15000  1.0 3.0
   83    69    87    88   0.15000  1.0 3.0
   83    69    87    89   0.15000  1.0 3.0
   83    69    87    95   0.56750  1.0 1.0
   83    69    87    95  -0.07550 -1.0 2.0
   83    69    87    95   0.20000  1.0 3.0
   87    69    83    84   0.15000  1.0 3.0
   87    69    83    85   0.15000  1.0 3.0
   87    69    83    86   0.15000  1.0 3.0
   87    95    98    99   0.15000  1.0 3.0
   87    95    98   100   0.15000  1.0 3.0
   87    95    98   101   0.56750  1.0 1.0
   87    95    98   101  -0.07550 -1.0 2.0
   87    95    98   101   0.20000  1.0 3.0
   88    87    95    96   0.15000  1.0 3.0
   88    87    95    97   0.15000  1.0 3.0
   88    87    95    98   0.15000  1.0 3.0
   89    87    95    96   0.15000  1.0 3.0
   89    87    95    97   0.15000  1.0 3.0
   89    87    95    98   0.15000  1.0 3.0
   95    98   101   102   0.15000  1.0 3.0
   95    98   101   103   0.56750  1.0 1.0
   95    98   101   103  -0.07550 -1.0 2.0
   95    98   101   103   0.20000  1.0 3.0
   95    98   101   107   0.56750  1.0 1.0
   95    98   101   107  -0.07550 -1.0 2.0
   95    98   101   107   0.20000  1.0 3.0
   96    95    98    99   0.15000  1.0 3.0
   96    95    98   100   0.15000  1.0 3.0
   96    95    98   101   0.15000  1.0 3.0
   97    95    98    99   0.15000  1.0 3.0
   97    95    98   100   0.15000  1.0 3.0
   97    95    98   101   0.15000  1.0 3.0
   98   101   103   104   0.15000  1.0 3.0
   98   101   103   105   0.15000  1.0 3.0
   98   101   103   106   0.15000  1.0 3.0
   98   101   107   108   0.15000  1.0 3.0
   98   101   107   109   0.15000  1.0 3.0
   98   101   107   110   0.15000  1.0 3.0
   99    98   101   102   0.15000  1.0 3.0
   99    98   101   103   0.15000  1.0 3.0
   99    98   101   107   0.15000  1.0 3.0
  100    98   101   102   0.15000  1.0 3.0
  100    98   101   103   0.15000  1.0 3.0
  100    98   101   107   0.15000  1.0 3.0
  102   101   103   104   0.15000  1.0 3.0
  102   101   103   105   0.15000  1.0 3.0
  102   101   103   106   0.15000  1.0 3.0
  102   101   107   108   0.15000  1.0 3.0
  102   101   107   109   0.15000  1.0 3.0
  102   101   107   110   0.15000  1.0 3.0
  103   101   107   108   0.15000  1.0 3.0
  103   101   107   109   0.15000  1.0 3.0
  103   101   107   110   0.15000  1.0 3.0
  107   101   103   104   0.15000  1.0 3.0
  107   101   103   105   0.15000  1.0 3.0
  107   101   103   106   0.15000  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
END
