* 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     1.02047    87.12797   -73.66237
    3     1 S   H    _H1_     3     1.02070    93.25168    34.94117
    4     1 S   H    _H2_     4     1.02135    33.21502   154.88262
    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     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   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     1.83010    97.92533  -178.15772
   34    33 S   HC   _H3_    37     1.09772   103.81879    32.83014
   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   _C12    38     1.53964   110.47948   -80.03824
   39    38 S   HC   _H46    39     1.09869   108.93424   156.41770
   40    38 S   HC   _H47    40     1.09839   109.89666    42.31627
   41    38 S   CT   _C15    41     1.53769   114.24938   -81.73097
   42    41 S   HC   _H50    42     1.09407   107.26923    67.87867
   43    41 S   CT   _C13    43     1.53369   111.20885  -173.83474
   44    43 S   HC   _H48    44     1.10344   106.47314    64.16029
   45    41 S   CT   _C14    60     1.56535   111.59056   -52.55988
   46    45 S   HC   _H49    61     1.09924   106.76108   -61.53597
   47    43 S   CT   _C6_    45     1.52658   119.10806   -55.23523
   48    47 S   HC   _H34    46     1.09433   111.96396    78.74262
   49    47 S   HC   _H35    47     1.09595   111.50602   -41.92101
   50    45 S   CT   _C19    62     1.57625   111.76337    55.62104
   51    47 S   CT   _C8_    48     1.53983   104.16973  -161.01533
   52    51 S   HC   _H38    49     1.09626   109.86029   129.00240
   53    51 S   HC   _H39    50     1.09452   111.02487  -112.43082
   54    50 S   CT   _C9_    63     1.56259   110.56767  -174.35548
   55    54 S   HC   _H40    64     1.09766   109.68586    51.34930
   56    54 S   HC   _H41    65     1.09603   110.89823   -65.52817
   57    50 S   CT   _C22    78     1.55404   109.94574    68.58539
   58    57 S   HC   _H56    79     1.08002   108.50269   -60.28873
   59    57 S   HC   _H57    80     1.08004   108.47699   179.71129
   60    57 S   HC   _H58    81     1.08036   108.49326    59.73652
   61    51 S   CT   _C16    51     1.54648   106.28859     7.58010
   62    61 S   HC   _H51    52     1.10063   107.56567   -93.01659
   63    54 S   CT   _C4_    66     1.53283   113.26865   172.98373
   64    63 S   HC   _H30    67     1.09663   109.09914  -174.72251
   65    63 S   HC   _H31    68     1.09653   109.66930    69.61727
   66    43 S   CT   _C18    53     1.54498   113.01735  -177.10883
   67    63 S   CT   _C5_    69     1.52377   113.39173   -52.68356
   68    67 S   HC   _H32    70     1.09581   109.64878   171.88371
   69    67 S   HC   _H33    71     1.09708   108.89753   -72.30818
   70    61 S   CT   _C29    86     1.52177   112.88878   149.09407
   71    70 S   HC   _H74    87     1.10019   108.64042   -80.08805
   72    66 S   CT   _C10    54     1.53474   107.76267   -62.37647
   73    72 S   HC   _H42    55     1.09764   110.07533   -63.90705
   74    72 S   HC   _H43    56     1.09688   110.61140   178.92899
   75    67 S   CT   _C11    72     1.53154   112.94696    49.44176
   76    75 S   HC   _H44    73     1.09451   108.34743    73.18786
   77    75 S   HC   _H45    74     1.09843   107.72489  -171.96662
   78    66 S   CT   _C21    82     1.54984   114.10807    59.66705
   79    78 S   HC   _H53    83     1.08120   108.70656    59.00533
   80    78 S   HC   _H54    84     1.08118   108.67764   -60.98051
   81    78 S   HC   _H55    85     1.08088   108.70636   179.01921
   82    70 S   CT   _C23    88     1.53370   109.86600   162.65056
   83    82 S   HC   _H59    89     1.09526   111.16793   -61.97940
   84    82 S   HC   _H60    90     1.09547   110.74814    58.14137
   85    82 S   HC   _H61    91     1.09570   111.15817   177.66242
   86    70 S   CT   _C27    92     1.54391   112.85220    40.18128
   87    86 S   HC   _H70    93     1.09814   109.60192   179.96044
   88    86 S   HC   _H71    94     1.09601   108.36276   -63.84465
   89    72 S   CT   _C7_    57     1.53938   111.66844    56.70307
   90    89 S   HC   _H36    58     1.09501   109.00157    70.67838
   91    89 S   HC   _H37    59     1.09510   107.40265  -174.55630
   92    33 S   CT   _C20    75     1.55445   117.13257   151.12545
   93    86 S   CT   _C26    95     1.53173   113.31291    57.47702
   94    93 S   HC   _H68    96     1.09587   109.56336    63.02132
   95    93 S   HC   _H69    97     1.09566   109.94070   -53.46964
   96    92 S   OH   _O28    76     1.45342   102.20119  -166.41113
   97    96 S   HO   _H76    77     0.96279   104.96704    58.83144
   98    93 S   CT   _C28    98     1.53507   113.47577  -177.33670
   99    98 S   HC   _H72    99     1.09758   108.35954    59.97389
  100    98 S   HC   _H73   100     1.09822   107.85933   -54.53703
  101    98 S   CT   _C30   101     1.54018   116.13734  -177.15972
  102   101 S   HC   _H75   102     1.09591   109.26288    57.18498
  103   101 S   CT   _C24   103     1.53262   109.65119   -60.00694
  104   103 S   HC   _H62   104     1.09448   111.31076   -61.49664
  105   103 S   HC   _H63   105     1.09526   110.79205   178.24487
  106   103 S   HC   _H64   106     1.09543   110.75130    58.81835
  107   101 S   CT   _C25   107     1.52856   112.53816   177.57440
  108   107 S   HC   _H65   108     1.09453   111.28513    59.07179
  109   107 S   HC   _H66   109     1.09457   111.29214   179.88809
  110   107 S   HC   _H67   110     1.09579   110.78082   -59.98252
  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
  18   8   2   1   1  15   6   5  20   8  22   9  21   8  11   6
   5  21  11   5   4  16   7   6   8   3   2   1  20   7   9   5
   4  14   7   5   4  14   8   9   5   4   5   3   2   4   2   1
   1   7   3   2   1   9   5   4   3   1   1   2   9   5   4   1
   1  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    92    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    50    75    92    96  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    50    54    67    75    76    77    92    96    97    57  
   38    39    40    41    50    75    92    96  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    66    89    45    46    50    75    92    96  
   40    41    42    43    45    92  
   41    42    43    45    92  
   42    43    44    47    48    49    51    61    66    72    89    90    91    45    46    50    54    92    57    78  
   43    44    47    66    89    45    46    50  
   44    47    48    49    51    52    53    61    62    66    72    73    74    89    45    46    50    78    79    80    81    70  
   47    48    49    51    61    66    72    45    78  
   46    50    54    55    56    63    75    92    96    57    58    59    60    47    66    72    73    74    89    90    91  
   50    54    92    57    72    89    90    91  
   48    49    51    52    53    61    62    66    72    78    70  
   49    51    52    53    61    66  
   51    52    53    61    66  
   54    55    56    63    64    65    67    75    76    77    92    96    97    57    58    59    60    72    89    90    91  
   52    53    61    62    66    72    78    70    71    82    86  
   53    61    62    66    70  
   61    62    66    70  
   55    56    63    64    65    67    68    69    75    92    96    57    58    59    60    89  
   56    63    64    65    67    92    57  
   63    64    65    67    92    57  
   58    59    60    63    75    89    92    96  
   59    60    92  
   60    92  
   92  
   62    66    72    73    74    89    78    79    80    81    70    71    82    83    84    85    86    87    88    93  
   66    72    78    70    71    82    86  
   64    65    67    68    69    75    76    77    92  
   65    67    68    69    75  
   67    68    69    75  
   72    73    74    89    90    91    78    79    80    81    70    71    82    86  
   68    69    75    76    77    92    96  
   69    75    76    77    92  
   75    76    77    92  
   71    82    83    84    85    86    87    88    93    94    95    98    72    78  
   82    83    84    85    86    87    88    93  
   73    74    89    90    91    78    79    80    81  
   74    89    90    91    78  
   89    90    91    78  
   76    77    92    96    97  
   77    92    96  
   92    96  
   79    80    81    89  
   80    81  
   81  
    0  
   83    84    85    86    87    88    93  
   84    85    86  
   85    86  
   86  
   87    88    93    94    95    98    99   100   101  
   88    93    94    95    98  
   93    94    95    98  
   90    91    92  
   91  
    0  
   96    97  
   94    95    98    99   100   101   102   103   107  
   95    98    99   100   101  
   98    99   100   101  
   97  
    0  
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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    92   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    70   268.000  1.529
   66    72   268.000  1.529
   66    78   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    45   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    54   268.000  1.529
   50    92   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    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    92   268.000  1.529
   92    96   320.000  1.410
   96    97   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   70    71   340.000  1.090
   70    82   268.000  1.529
   70    86   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    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    92    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    92    50    58.35000  112.70000
   33    92    75    58.35000  112.70000
   33    92    96    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    89    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    72    58.35000  112.70000
   43    66    78    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    70    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    72    58.35000  112.70000
   61    66    78    58.35000  112.70000
   61    70    71    37.50000  110.70000
   61    70    82    58.35000  112.70000
   61    70    86    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    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    89    58.35000  112.70000
   66    78    79    37.50000  110.70000
   66    78    80    37.50000  110.70000
   66    78    81    37.50000  110.70000
   72    89    90    37.50000  110.70000
   72    89    91    37.50000  110.70000
   72    89    45    58.35000  112.70000
   74    72    73    33.00000  107.80000
   89    72    73    37.50000  110.70000
   89    72    74    37.50000  110.70000
   89    45    46    37.50000  110.70000
   89    45    50    58.35000  112.70000
   91    89    90    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    58.35000  112.70000
   45    89    90    37.50000  110.70000
   45    89    91    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    92    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    92    75    58.35000  112.70000
   50    92    96    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    69    37.50000  110.70000
   63    67    75    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    92    58.35000  112.70000
   69    67    68    33.00000  107.80000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    92    96    50.00000  109.50000
   77    75    76    33.00000  107.80000
   92    33    34    37.50000  110.70000
   92    33    38    58.35000  112.70000
   92    50    54    58.35000  112.70000
   92    75    76    37.50000  110.70000
   92    75    77    37.50000  110.70000
   92    96    97    55.00000  108.50000
   57    50    54    58.35000  112.70000
   57    50    92    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
   78    66    72    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   70    61    62    37.50000  110.70000
   70    61    66    58.35000  112.70000
   70    82    83    37.50000  110.70000
   70    82    84    37.50000  110.70000
   70    82    85    37.50000  110.70000
   70    86    87    37.50000  110.70000
   70    86    88    37.50000  110.70000
   70    86    93    58.35000  112.70000
   82    70    71    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    70    71    37.50000  110.70000
   86    70    82    58.35000  112.70000
   86    93    94    37.50000  110.70000
   86    93    95    37.50000  110.70000
   86    93    98    58.35000  112.70000
   88    86    87    33.00000  107.80000
   93    86    87    37.50000  110.70000
   93    86    88    37.50000  110.70000
   93    98    99    37.50000  110.70000
   93    98   100    37.50000  110.70000
   93    98   101    58.35000  112.70000
   95    93    94    33.00000  107.80000
   98    93    94    37.50000  110.70000
   98    93    95    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    75    76   0.15000  1.0 3.0
   63    67    75    77   0.15000  1.0 3.0
   63    67    75    92   0.56750  1.0 1.0
   63    67    75    92  -0.07550 -1.0 2.0
   63    67    75    92   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    75   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    69   0.15000  1.0 3.0
   65    63    67    75   0.15000  1.0 3.0
   67    75    92    33   0.56750  1.0 1.0
   67    75    92    33  -0.07550 -1.0 2.0
   67    75    92    33   0.20000  1.0 3.0
   67    75   -92    50   0.56750  1.0 1.0
   67    75   -92    50  -0.07550 -1.0 2.0
   67    75   -92    50   0.20000  1.0 3.0
   67    75    92    96   0.86500  1.0 1.0
   67    75    92    96  -0.17500 -1.0 2.0
   67    75    92    96   0.20800  1.0 3.0
   68    67    75    76   0.15000  1.0 3.0
   68    67    75    77   0.15000  1.0 3.0
   68    67    75    92   0.15000  1.0 3.0
   69    67    75    76   0.15000  1.0 3.0
   69    67    75    77   0.15000  1.0 3.0
   69    67    75    92   0.15000  1.0 3.0
   75    92    96    97  -0.11600  1.0 1.0
   75    92    96    97  -0.09450 -1.0 2.0
   75    92    96    97   0.21250  1.0 3.0
   76    75    92    33   0.15000  1.0 3.0
   76    75    92    50   0.15000  1.0 3.0
   76    75    92    96   0.23400  1.0 3.0
   77    75    92    33   0.15000  1.0 3.0
   77    75    92    50   0.15000  1.0 3.0
   77    75    92    96   0.23400  1.0 3.0
   92    33    38    39   0.15000  1.0 3.0
   92    33    38    40   0.15000  1.0 3.0
   92    33   -38    41   0.56750  1.0 1.0
   92    33   -38    41  -0.07550 -1.0 2.0
   92    33   -38    41   0.20000  1.0 3.0
   92    50    54    55   0.15000  1.0 3.0
   92    50    54    56   0.15000  1.0 3.0
   92    50   -54    63   0.56750  1.0 1.0
   92    50   -54    63  -0.07550 -1.0 2.0
   92    50   -54    63   0.20000  1.0 3.0
   92    50    57    58   0.15000  1.0 3.0
   92    50    57    59   0.15000  1.0 3.0
   92    50    57    60   0.15000  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    92    33   0.56750  1.0 1.0
   57    50    92    33  -0.07550 -1.0 2.0
   57    50    92    33   0.20000  1.0 3.0
   57    50    92    75   0.56750  1.0 1.0
   57    50    92    75  -0.07550 -1.0 2.0
   57    50    92    75   0.20000  1.0 3.0
   57    50    92    96   0.86500  1.0 1.0
   57    50    92    96  -0.17500 -1.0 2.0
   57    50    92    96   0.20800  1.0 3.0
   78    66    72    73   0.15000  1.0 3.0
   78    66    72    74   0.15000  1.0 3.0
   78    66    72    89   0.56750  1.0 1.0
   78    66    72    89  -0.07550 -1.0 2.0
   78    66    72    89   0.20000  1.0 3.0
   70    61    66    43   0.56750  1.0 1.0
   70    61    66    43  -0.07550 -1.0 2.0
   70    61    66    43   0.20000  1.0 3.0
   70    61    66    72   0.56750  1.0 1.0
   70    61    66    72  -0.07550 -1.0 2.0
   70    61    66    72   0.20000  1.0 3.0
   70    61    66    78   0.56750  1.0 1.0
   70    61    66    78  -0.07550 -1.0 2.0
   70    61    66    78   0.20000  1.0 3.0
   70    86    93    94   0.15000  1.0 3.0
   70    86    93    95   0.15000  1.0 3.0
   70    86    93    98   0.56750  1.0 1.0
   70    86    93    98  -0.07550 -1.0 2.0
   70    86    93    98   0.20000  1.0 3.0
   71    70    82    83   0.15000  1.0 3.0
   71    70    82    84   0.15000  1.0 3.0
   71    70    82    85   0.15000  1.0 3.0
   71    70    86    87   0.15000  1.0 3.0
   71    70    86    88   0.15000  1.0 3.0
   71    70    86    93   0.15000  1.0 3.0
   82    70    86    87   0.15000  1.0 3.0
   82    70    86    88   0.15000  1.0 3.0
   82    70    86    93   0.56750  1.0 1.0
   82    70    86    93  -0.07550 -1.0 2.0
   82    70    86    93   0.20000  1.0 3.0
   86    70    82    83   0.15000  1.0 3.0
   86    70    82    84   0.15000  1.0 3.0
   86    70    82    85   0.15000  1.0 3.0
   86    93    98    99   0.15000  1.0 3.0
   86    93    98   100   0.15000  1.0 3.0
   86    93    98   101   0.56750  1.0 1.0
   86    93    98   101  -0.07550 -1.0 2.0
   86    93    98   101   0.20000  1.0 3.0
   87    86    93    94   0.15000  1.0 3.0
   87    86    93    95   0.15000  1.0 3.0
   87    86    93    98   0.15000  1.0 3.0
   88    86    93    94   0.15000  1.0 3.0
   88    86    93    95   0.15000  1.0 3.0
   88    86    93    98   0.15000  1.0 3.0
   93    98   101   102   0.15000  1.0 3.0
   93    98   101   103   0.56750  1.0 1.0
   93    98   101   103  -0.07550 -1.0 2.0
   93    98   101   103   0.20000  1.0 3.0
   93    98   101   107   0.56750  1.0 1.0
   93    98   101   107  -0.07550 -1.0 2.0
   93    98   101   107   0.20000  1.0 3.0
   94    93    98    99   0.15000  1.0 3.0
   94    93    98   100   0.15000  1.0 3.0
   94    93    98   101   0.15000  1.0 3.0
   95    93    98    99   0.15000  1.0 3.0
   95    93    98   100   0.15000  1.0 3.0
   95    93    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
