* 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     1.02089   103.42621   -38.65744
    3     1 S   H    _H1_     3     1.02028    71.16742    66.78736
    4     1 S   H    _H2_     4     1.02141    42.30306  -141.77008
    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     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   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   _C20    36     1.87216    96.63099   161.88310
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C11    37     1.56047   105.92385    39.98098
   38    37 S   HC   _H44    38     1.09912   110.63298   -51.79168
   39    37 S   HC   _H45    39     1.09590   110.18675  -167.06222
   40    33 S   CT   _C17    99     1.55982   105.14566   -74.97164
   41    40 S   HC   _H52   100     1.09586   110.33085    63.05758
   42    37 S   CT   _C5_    40     1.52861   114.96720    72.10799
   43    42 S   HC   _H32    41     1.09581   110.29451   -70.38053
   44    42 S   HC   _H33    42     1.09628   109.33329   173.37845
   45    40 S   OH   _O28   101     1.42940   112.25954   -55.62045
   46    45 S   HO   _H76   102     0.96868   106.39097   175.47494
   47    42 S   CT   _C4_    43     1.52013   112.13635    51.90469
   48    47 S   HC   _H30    44     1.09524   109.82798    70.80754
   49    47 S   HC   _H31    45     1.09597   109.17976  -173.18453
   50    47 S   CT   _C9_    46     1.52429   111.92074   -52.02069
   51    50 S   HC   _H40    47     1.09602   108.98953  -179.96044
   52    50 S   HC   _H41    48     1.09811   107.97483   -66.88084
   53    33 S   CT   _C19    49     1.59334   113.55074   161.60529
   54    53 S   CT   _C14    50     1.59179   108.92340   170.53319
   55    54 S   HC   _H49    51     1.09753   107.29759    61.55534
   56    53 S   CT   _C22   107     1.55463   113.00182    48.66834
   57    56 S   HC   _H56   108     1.07960   108.46042    60.50629
   58    56 S   HC   _H57   109     1.07993   108.41679   -59.46998
   59    56 S   HC   _H58   110     1.07942   108.42169  -179.51746
   60    54 S   CT   _C7_    52     1.55681   114.52433   176.97903
   61    60 S   HC   _H36    53     1.09302   110.72589    55.94670
   62    60 S   HC   _H37    54     1.09499   109.83433   -61.31705
   63    60 S   CT   _C10    55     1.53861   113.83887   178.56673
   64    63 S   HC   _H42    56     1.09755   108.56271    68.65553
   65    63 S   HC   _H43    57     1.09699   109.48062  -175.78221
   66    63 S   CT   _C18    58     1.53329   111.61483   -52.93665
   67    66 S   CT   _C13    59     1.54234   107.56545    57.09956
   68    67 S   HC   _H48    60     1.10266   108.28080    55.21042
   69    66 S   CT   _C21   103     1.54966   109.75279   -67.59582
   70    69 S   HC   _H53   104     1.08171   108.70304   179.98022
   71    69 S   HC   _H54   105     1.08154   108.71349    60.02092
   72    69 S   HC   _H55   106     1.08123   108.70881   -60.02430
   73    67 S   CT   _C6_    61     1.52627   103.55472   167.26635
   74    73 S   HC   _H34    62     1.09476   111.99582  -154.72685
   75    73 S   HC   _H35    63     1.09606   111.51366    84.64402
   76    54 S   CT   _C15    94     1.56293   112.43245   -54.02642
   77    76 S   HC   _H50    95     1.09426   109.59450   -62.21851
   78    73 S   CT   _C8_    64     1.53985   104.18561   -34.43497
   79    78 S   HC   _H38    65     1.09566   109.86421   129.00213
   80    78 S   HC   _H39    66     1.09602   110.98713  -112.52659
   81    76 S   CT   _C12    96     1.53465   111.00565    56.64441
   82    81 S   HC   _H46    97     1.09573   110.12780    68.02624
   83    81 S   HC   _H47    98     1.09743   108.78873  -175.68489
   84    66 S   CT   _C16    67     1.54820   114.74610   166.46975
   85    84 S   HC   _H51    68     1.09992   108.66591   -42.13424
   86    84 S   CT   _C29    69     1.52233   116.59503    78.84550
   87    86 S   HC   _H74    70     1.09935   108.64864    39.92319
   88    86 S   CT   _C23    71     1.53350   109.90261   -77.43480
   89    88 S   HC   _H59    72     1.09612   111.13007   -61.92373
   90    88 S   HC   _H60    73     1.09482   110.70725    58.13669
   91    88 S   HC   _H61    74     1.09434   111.11901   177.71381
   92    86 S   CT   _C27    75     1.54459   112.83610   160.08815
   93    92 S   HC   _H70    76     1.09712   109.62312  -179.97202
   94    92 S   HC   _H71    77     1.09630   108.37780   -63.77138
   95    92 S   CT   _C26    78     1.53219   113.31749    57.46495
   96    95 S   HC   _H68    79     1.09606   109.53427    62.96889
   97    95 S   HC   _H69    80     1.09580   109.93329   -53.43639
   98    95 S   CT   _C28    81     1.53424   113.52900  -177.32117
   99    98 S   HC   _H72    82     1.09844   108.36151    59.95852
  100    98 S   HC   _H73    83     1.09825   107.80832   -54.47651
  101    98 S   CT   _C30    84     1.53996   116.12770  -177.15071
  102   101 S   HC   _H75    85     1.09605   109.28170    57.28015
  103   101 S   CT   _C24    86     1.53128   109.67486   -60.05074
  104   103 S   HC   _H62    87     1.09515   111.35124   -61.48126
  105   103 S   HC   _H63    88     1.09614   110.81176   178.23242
  106   103 S   HC   _H64    89     1.09490   110.79244    58.85809
  107   101 S   CT   _C25    90     1.52941   112.47258   177.57005
  108   107 S   HC   _H65    91     1.09463   111.32668    59.11025
  109   107 S   HC   _H66    92     1.09521   111.28492   179.94405
  110   107 S   HC   _H67    93     1.09603   110.77870   -59.99318
  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  13   5   4   3
  26   2   1   1  16   7   6  14   7   9   5   4   6   1   8   5
   4  11   4   3  14  20   9   5   2   1   1  12   6   5  15   5
   4  21  19   9   9   3   2   1  11   6   5   6   3   8   4   3
   2   1   1  11   4  12   8   7   3   2   1   9   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    50    53    54    81    40    41    45    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    44    47    50    51    52    53    54    55    60    76    81    82    83    40    41    45    46    56    57    58    59  
   35    36  
   36  
    0  
   38    39    42    43    44    47    48    49    50    53    54    81    40    41    45    56  
   39    42    43    44    47    53    40  
   42    43    44    47    53    40  
   41    45    46    56    42    50    53    54    67    76    77    81    82    83  
   45    46    53    76    81    82    83  
   43    44    47    48    49    50    51    52    53  
   44    47    48    49    50  
   47    48    49    50  
   46    53    76    81    82    83  
   81  
   48    49    50    51    52    53    54    56  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53    54    55    60    76    56    57    58    59  
   52    53    54    56  
   53    54    56  
   54    55    60    61    62    63    67    76    77    81    56    57    58    59  
   55    60    61    62    63    64    65    66    67    68    73    76    77    81    82    83    56    57    58    59  
   60    61    62    63    67    76    77    81    56  
   57    58    59    60    76  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67    84    76    77    81    69  
   62    63    64    65    66    76  
   63    64    65    66    76  
   64    65    66    67    68    73    78    84    85    86    76    69    70    71    72  
   65    66    67    84    69  
   66    67    84    69  
   67    68    73    74    75    78    79    80    84    85    86    87    88    92    76    77    81    69    70    71    72  
   68    73    74    75    78    79    80    84    85    86    76    77    81    82    83    69    70    71    72  
   73    74    75    78    84    76    77    81    69  
   70    71    72    73    76    78    84    85    86  
   71    72    84  
   72    84  
   84  
   74    75    78    79    80    84    85    86    76    77    81  
   75    78    79    80    84    76  
   78    79    80    84    76  
   77    81    82    83    78    84  
   81    82    83  
   79    80    84    85    86    87    88    92  
   80    84    85    86  
   84    85    86  
   82    83  
   83  
    0  
   85    86    87    88    89    90    91    92    93    94    95  
   86    87    88    92  
   87    88    89    90    91    92    93    94    95    96    97    98  
   88    89    90    91    92    93    94    95  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95    96    97    98    99   100   101  
   94    95    96    97    98  
   95    96    97    98  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   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   3.5000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   268.000  1.529
   53    56   268.000  1.529
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    76   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   268.000  1.529
   66    84   268.000  1.529
   66    69   268.000  1.529
   67    68   340.000  1.090
   67    73   268.000  1.529
   67    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   86    87   340.000  1.090
   86    88   268.000  1.529
   86    92   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    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
   76    77   340.000  1.090
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    40   268.000  1.529
   40    41   340.000  1.090
   40    45   320.000  1.410
   45    46   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    53    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    53    50    58.35000  112.70000
   33    53    54    58.35000  112.70000
   33    53    56    58.35000  112.70000
   33    40    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    45    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    47    58.35000  112.70000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    58.35000  112.70000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    58.35000  112.70000
   50    53    56    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    60    58.35000  112.70000
   53    54    76    58.35000  112.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    58.35000  112.70000
   54    76    67    58.35000  112.70000
   54    76    77    37.50000  110.70000
   54    76    81    58.35000  112.70000
   60    54    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    58.35000  112.70000
   63    66    84    58.35000  112.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    73    58.35000  112.70000
   66    67    76    58.35000  112.70000
   66    84    78    58.35000  112.70000
   66    84    85    37.50000  110.70000
   66    84    86    58.35000  112.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    78    58.35000  112.70000
   67    76    77    37.50000  110.70000
   67    76    81    58.35000  112.70000
   73    67    68    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    84    58.35000  112.70000
   75    73    74    33.00000  107.80000
   78    73    74    37.50000  110.70000
   78    73    75    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    58.35000  112.70000
   80    78    79    33.00000  107.80000
   84    66    67    58.35000  112.70000
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    88    58.35000  112.70000
   84    86    92    58.35000  112.70000
   86    84    85    37.50000  110.70000
   86    88    89    37.50000  110.70000
   86    88    90    37.50000  110.70000
   86    88    91    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    58.35000  112.70000
   88    86    87    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    86    87    37.50000  110.70000
   92    86    88    58.35000  112.70000
   92    95    96    37.50000  110.70000
   92    95    97    37.50000  110.70000
   92    95    98    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    37.50000  110.70000
   95    92    94    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
   76    54    55    37.50000  110.70000
   76    54    60    58.35000  112.70000
   76    67    68    37.50000  110.70000
   76    67    73    58.35000  112.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    40    58.35000  112.70000
   81    76    77    37.50000  110.70000
   81    40    41    37.50000  110.70000
   81    40    45    50.00000  109.50000
   83    81    82    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    81    83    37.50000  110.70000
   40    45    46    55.00000  108.50000
   45    40    41    35.00000  109.50000
   69    66    67    58.35000  112.70000
   69    66    84    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    53    54    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
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   84    86    88    89   0.15000  1.0 3.0
   84    86    88    90   0.15000  1.0 3.0
   84    86    88    91   0.15000  1.0 3.0
   84    86    92    93   0.15000  1.0 3.0
   84    86    92    94   0.15000  1.0 3.0
   84    86    92    95   0.56750  1.0 1.0
   84    86    92    95  -0.07550 -1.0 2.0
   84    86    92    95   0.20000  1.0 3.0
   85    84    86    87   0.15000  1.0 3.0
   85    84    86    88   0.15000  1.0 3.0
   85    84    86    92   0.15000  1.0 3.0
   86    92    95    96   0.15000  1.0 3.0
   86    92    95    97   0.15000  1.0 3.0
   86    92    95    98   0.56750  1.0 1.0
   86    92    95    98  -0.07550 -1.0 2.0
   86    92    95    98   0.20000  1.0 3.0
   87    86    88    89   0.15000  1.0 3.0
   87    86    88    90   0.15000  1.0 3.0
   87    86    88    91   0.15000  1.0 3.0
   87    86    92    93   0.15000  1.0 3.0
   87    86    92    94   0.15000  1.0 3.0
   87    86    92    95   0.15000  1.0 3.0
   88    86    92    93   0.15000  1.0 3.0
   88    86    92    94   0.15000  1.0 3.0
   88    86    92    95   0.56750  1.0 1.0
   88    86    92    95  -0.07550 -1.0 2.0
   88    86    92    95   0.20000  1.0 3.0
   92    86    88    89   0.15000  1.0 3.0
   92    86    88    90   0.15000  1.0 3.0
   92    86    88    91   0.15000  1.0 3.0
   92    95    98    99   0.15000  1.0 3.0
   92    95    98   100   0.15000  1.0 3.0
   92    95    98   101   0.56750  1.0 1.0
   92    95    98   101  -0.07550 -1.0 2.0
   92    95    98   101   0.20000  1.0 3.0
   93    92    95    96   0.15000  1.0 3.0
   93    92    95    97   0.15000  1.0 3.0
   93    92    95    98   0.15000  1.0 3.0
   94    92    95    96   0.15000  1.0 3.0
   94    92    95    97   0.15000  1.0 3.0
   94    92    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
   76    54    60    61   0.15000  1.0 3.0
   76    54    60    62   0.15000  1.0 3.0
   76    54   -60    63   0.56750  1.0 1.0
   76    54   -60    63  -0.07550 -1.0 2.0
   76    54   -60    63   0.20000  1.0 3.0
   76    67    73    74   0.15000  1.0 3.0
   76    67    73    75   0.15000  1.0 3.0
   76    67    73    78   0.56750  1.0 1.0
   76    67    73    78  -0.07550 -1.0 2.0
   76    67    73    78   0.20000  1.0 3.0
   76    81   -40    33   0.56750  1.0 1.0
   76    81   -40    33  -0.07550 -1.0 2.0
   76    81   -40    33   0.20000  1.0 3.0
   76    81    40    41   0.15000  1.0 3.0
   76    81    40    45   0.86500  1.0 1.0
   76    81    40    45  -0.17500 -1.0 2.0
   76    81    40    45   0.20800  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    40   0.15000  1.0 3.0
   81    40    45    46  -0.11600  1.0 1.0
   81    40    45    46  -0.09450 -1.0 2.0
   81    40    45    46   0.21250  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.15000  1.0 3.0
   82    81    40    45   0.23400  1.0 3.0
   83    81    40    33   0.15000  1.0 3.0
   83    81    40    41   0.15000  1.0 3.0
   83    81    40    45   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    53    50   0.56750  1.0 1.0
   40    33    53    50  -0.07550 -1.0 2.0
   40    33    53    50   0.20000  1.0 3.0
   40    33   -53    54   0.56750  1.0 1.0
   40    33   -53    54  -0.07550 -1.0 2.0
   40    33   -53    54   0.20000  1.0 3.0
   40    33    53    56   0.56750  1.0 1.0
   40    33    53    56  -0.07550 -1.0 2.0
   40    33    53    56   0.20000  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   69    66    67    68   0.15000  1.0 3.0
   69    66    67    73   0.56750  1.0 1.0
   69    66    67    73  -0.07550 -1.0 2.0
   69    66    67    73   0.20000  1.0 3.0
   69    66    67    76   0.56750  1.0 1.0
   69    66    67    76  -0.07550 -1.0 2.0
   69    66    67    76   0.20000  1.0 3.0
   69    66    84    78   0.56750  1.0 1.0
   69    66    84    78  -0.07550 -1.0 2.0
   69    66    84    78   0.20000  1.0 3.0
   69    66    84    85   0.15000  1.0 3.0
   69    66    84    86   0.56750  1.0 1.0
   69    66    84    86  -0.07550 -1.0 2.0
   69    66    84    86   0.20000  1.0 3.0
   56    53    54    55   0.15000  1.0 3.0
   56    53    54    60   0.56750  1.0 1.0
   56    53    54    60  -0.07550 -1.0 2.0
   56    53    54    60   0.20000  1.0 3.0
   56    53    54    76   0.56750  1.0 1.0
   56    53    54    76  -0.07550 -1.0 2.0
   56    53    54    76   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
END
