* LIGAND DATABASE FILE (OPLS2005)
*
001     108   112    215    356     654
    1     0 S   NP   _N1_     1    29.09807    98.18179   -19.23113
    2     1 S   H    _HN1     2     1.02827    54.75966   152.24229
    3     1 S   H    _H1_     3     1.02778    84.94851   -91.61671
    4     1 S   H    _H2_     4     1.02949    68.36857    20.46102
    5     1 S   CT   _CA1     5     1.50106   161.41766   110.20999
    6     5 S   HC   _HA1     6     1.09578   105.17005    94.90051
    7     5 S   CO3  _C1_     7     1.53740   112.54175   -25.23045
    8     7 S   O2Z  _O11     8     1.26368   114.94780   -40.95661
    9     7 S   O2Z  _O12     9     1.26239   114.88739   138.19254
   10     5 S   CT   _CB1    10     1.53073   107.42984  -147.18047
   11    10 S   HC   HB11    11     1.09828   109.21627   -50.60753
   12    10 S   HC   HB12    12     1.09813   110.50289    65.97713
   13    10 S   CT   _CG1    13     1.52970   112.63094  -171.66480
   14    13 S   HC   HG11    14     1.09567   110.51477   -68.30292
   15    13 S   HC   HG12    15     1.09673   109.82281    50.91698
   16    13 S   C    _CD1    16     1.51799   112.29954   171.34642
   17    16 S   O    _OE1    17     1.22721   123.30381     7.62110
   18    16 S   N    _N2_    18     1.38610   111.60065  -172.47838
   19    18 S   H    _HN2    19     1.01587   118.90614     0.98338
   20    18 S   CT1  _CA2    20     1.46271   123.49948   177.28286
   21    20 S   HC   _HA2    21     1.09732   109.46235    -1.55696
   22    20 S   C    _C2_    22     1.53479   108.37722  -117.00809
   23    22 S   O    _O2_    23     1.23037   122.35686  -147.66489
   24    20 S   CT   _CB2    32     1.53210   111.24757   120.65479
   25    24 S   HC   HB21    33     1.09489   109.75523    55.31507
   26    24 S   HC   HB22    34     1.09508   110.81312   173.84840
   27    22 S   N    _N3_    24     1.38361   113.56100    39.79279
   28    27 S   H    _HN3    25     1.01607   119.51403    -3.46131
   29    24 S   S    _SG2    35     1.82860   111.12191   -67.11030
   30    27 S   CT   _CA3    26     1.45278   123.21754   177.08953
   31    30 S   HC   HA31    27     1.09549   107.52336   -64.23296
   32    30 S   HC   HA32    28     1.09556   107.96820    52.20016
   33    29 S   CT   _C22    36     1.84939   100.09077   151.14897
   34    33 S   HC   _H8_    37     1.09645   103.25804    36.71138
   35    30 S   CO3  _C3_    29     1.52957   114.07931   174.18773
   36    35 S   O2Z  _O31    30     1.26376   116.06311    -0.61929
   37    35 S   O2Z  _O32    31     1.26427   114.41399   179.43803
   38    33 S   CT   _C21    38     1.53772   110.06043   -78.79557
   39    38 S   HC   _H26    39     1.09702   108.98612   159.79229
   40    38 S   HC   _H27    40     1.09619   110.38680    45.26225
   41    38 S   CT   _C20    41     1.53772   113.80520   -78.54032
   42    41 S   HC   _H7_    42     1.09411   107.45091    66.06167
   43    41 S   CT   _C19    43     1.55948   111.45606   -54.16950
   44    43 S   HC   _H6_    44     1.09997   106.87266   -60.90025
   45    43 S   CT   _C18    45     1.55141   111.31617  -174.71469
   46    45 S   HC   _H24    46     1.09413   110.60623   -72.02199
   47    45 S   HC   _H25    47     1.09583   109.77796   171.03516
   48    43 S   CT   _C24    91     1.57124   111.98966    56.29159
   49    45 S   CT   _C17    48     1.53931   113.65458    50.70153
   50    49 S   HC   _H22    49     1.09764   108.62522    68.01884
   51    49 S   HC   _H23    50     1.09350   108.02783  -176.97496
   52    48 S   CO4  _C25    92     1.55405   108.95660  -174.10336
   53    52 S   O    _O35    93     1.23276   122.70273   -89.15549
   54    48 S   CT   _C29   105     1.55259   111.22864    70.33527
   55    54 S   HC   _H31   106     1.09018   113.11210   -51.45164
   56    54 S   HC   _H32   107     1.09556   111.52597  -173.75107
   57    54 S   HC   _H33   108     1.09587   112.17660    67.89297
   58    49 S   CT   _C16    51     1.53964   112.25413   -53.90167
   59    52 S   CM   _C26    94     1.47918   120.26167    88.44709
   60    59 S   HC   _H28    95     1.08423   117.62839  -173.30007
   61    41 S   CT   _C15    52     1.53639   111.06527  -175.41862
   62    61 S   HC   _H5_    53     1.10333   106.27501    64.22555
   63    58 S   CT   _C30    87     1.54631   109.81607   -66.74440
   64    63 S   HC   _H35    88     1.09356   112.35908  -178.04756
   65    63 S   HC   _H36    89     1.09304   112.90081    61.53176
   66    63 S   HC   _H37    90     1.09482   110.91393   -57.50512
   67    59 S   CM   _C27    96     1.33265   121.05796     5.93617
   68    67 S   HC   _H29    97     1.08716   118.26897  -177.75032
   69    61 S   CT   _C14    54     1.52190   118.36524   -54.54101
   70    69 S   HC   _H20    55     1.09480   112.09971    77.30300
   71    69 S   HC   _H21    56     1.09542   111.58785   -43.40371
   72    67 S   CT   _C28    98     1.49316   123.90573     0.97358
   73    72 S   HC   _H9_    99     1.09434   106.75850  -103.42651
   74    69 S   CT   _C13    57     1.53445   104.02374  -162.55790
   75    74 S   HC   _H18    58     1.09520   109.30868   130.39035
   76    74 S   HC   _H19    59     1.09582   110.48180  -111.80986
   77    33 S   CT   _C23   100     1.56839   114.76544   153.83217
   78    72 S   OH   _O36   103     1.42979   108.56307   142.06869
   79    78 S   HO   _H30   104     0.97246   107.94136    60.50327
   80    58 S   CT   _C12    60     1.56683   115.60543   165.19307
   81    80 S   HC   _H4_    61     1.09975   105.80403   -42.82908
   82    77 S   OH   _O37   101     1.44139   107.31788   -44.59312
   83    82 S   HO   _H34   102     0.97128   108.88300  -167.74941
   84    80 S   CT   _C10    62     1.56193   121.42583    78.54245
   85    84 S   CT   _C8_    63     1.56406   111.80813   178.87761
   86    85 S   HC   _H3_    64     1.09853   108.62116   -63.63799
   87    84 S   CT   _C11    81     1.53520   111.91250   -55.56604
   88    87 S   HC   _H15    82     1.09555   111.65119  -171.80705
   89    87 S   HC   _H16    83     1.09404   111.90188   -50.63788
   90    87 S   HC   _H17    84     1.09369   111.22772    71.63536
   91    84 S   OH   _O38    85     1.43476   108.87395    62.14455
   92    91 S   HO   _H38    86     0.97310   107.82389   175.44353
   93    85 S   CT   _C9_    65     1.52377   114.96135    60.67689
   94    93 S   HC   _H13    66     1.09574   111.83398    54.77352
   95    93 S   HC   _H14    67     1.09486   109.73061   -65.11158
   96    93 S   CM   _C5_    68     1.50620   109.53922   174.62407
   97    96 S   CM   _C6_    69     1.34795   120.63842   -28.80701
   98    96 S   CT   _C4_    77     1.50398   114.32182   151.79939
   99    98 S   HC   _H10    78     1.09472   110.13371   -70.69195
  100    98 S   HC   _H11    79     1.09221   113.53854   167.77611
  101    98 S   HC   _H12    80     1.09569   109.95038    48.58015
  102    97 S   CO4  _C7_    70     1.49107   119.36612    -5.30482
  103   102 S   O    _O33    71     1.22691   121.45459  -164.34696
  104    97 S   CT   _C31    73     1.50170   125.70745   177.45778
  105   104 S   HC   _H39    74     1.09468   110.32171   102.37047
  106   104 S   HC   _H40    75     1.09276   113.04210   -19.22770
  107   104 S   HC   _H41    76     1.09587   110.47785  -137.84908
  108    85 S   OS   _O34    72     1.44935   108.19539  -177.67005
  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  13   6   5  17
  14   5   4  12   5   7   3   2   1  18   7   3  14   6   8   3
   2   1   7   4   8   5   4   6   4   8   4   3   4   2   1  12
   4   1   1  14  16   8   7   3   2   1   3   1  11   5   4  12
  11   5   2   1   1   6   2   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    77    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    72    77    82  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    61    48    52    67    72    73    77    82    83    78    54  
   38    39    40    41    48    72    77    82  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    58    61    62    69    48    72    77    82  
   40    41    42    43    61    77  
   41    42    43    61    77  
   42    43    44    45    46    47    49    58    61    62    69    70    71    74    80    63    48    52    77    54  
   43    44    45    58    61    62    69    48  
   44    45    46    47    49    50    51    58    61    62    69    48    52    53    59    72    77    82    54    55    56    57  
   45    46    47    49    61    48    52    77    54  
   46    47    49    50    51    58    61    80    63    48    52    77    54  
   47    49    50    51    58    48  
   49    50    51    58    48  
   52    53    59    60    67    72    73    77    82    83    78    54    55    56    57    49    61  
   50    51    58    61    62    69    74    80    81    84    63    64    65    66  
   51    58    61    80    63  
   58    61    80    63  
   53    59    60    67    68    72    77    82    54    55    56    57  
   59    60    67    77    54  
   55    56    57    59    72    77    82  
   56    57    77  
   57    77  
   77  
   61    62    69    70    71    74    75    76    80    81    84    85    87    91    63    64    65    66  
   60    67    68    72    73    77    78  
   67    68    72  
   62    69    70    71    74    75    76    80    81    84    63    64    65    66  
   69    70    71    74    80    63  
   64    65    66    69    74    80    81    84  
   65    66    80  
   66    80  
   80  
   68    72    73    77    82    78    79  
   72    73    77    78  
   70    71    74    75    76    80    81    84  
   71    74    75    76    80  
   74    75    76    80  
   73    77    82    83    78    79  
   77    82    78    79  
   75    76    80    81    84    85    87    91  
   76    80    81    84  
   80    81    84  
   82    83    78    79  
   79    82  
    0  
   81    84    85    86    93   108    87    88    89    90    91    92  
   84    85    87    91  
   83  
    0  
   85    86    93    94    95    96   102   108    87    88    89    90    91    92  
   86    93    94    95    96    97   102   103   108    98    87    88    89    90    91    92  
   93    94    95    96   102   108    87    91  
   88    89    90    91    92    93   108  
   89    90    91  
   90    91  
   91  
   92    93   108  
    0  
   94    95    96    97   102   108   104    98    99   100   101  
   95    96    97   108    98  
   96    97   108    98  
   97   102   103   108   104   105   106   107    98    99   100   101  
  102   103   108   104   105   106   107    98    99   100   101  
   99   100   101   102   104  
  100   101  
  101  
    0  
  103   108   104   105   106   107  
  108   104  
  105   106   107   108  
  106   107  
  107  
    0  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   97   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   98   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    77   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    61   268.000  1.529
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    61   268.000  1.529
   58    80   268.000  1.529
   58    63   268.000  1.529
   61    62   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    84   268.000  1.529
   84    85   268.000  1.529
   84    87   268.000  1.529
   84    91   320.000  1.410
   85    86   340.000  1.090
   85    93   268.000  1.529
   85   108   320.000  1.410
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   317.000  1.510
   96    97   549.000  1.340
   96    98   317.000  1.510
   97   102   320.000  1.462
   97   104   317.000  1.510
  102   103   570.000  1.229
  102   108   214.000  1.327
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   48    52   317.000  1.522
   48    77   268.000  1.529
   48    54   268.000  1.529
   52    53   570.000  1.229
   52    59   320.000  1.462
   59    60   340.000  1.080
   59    67   549.000  1.340
   67    68   340.000  1.080
   67    72   317.000  1.510
   72    73   340.000  1.090
   72    77   268.000  1.529
   72    78   320.000  1.410
   77    82   320.000  1.410
   82    83   553.000  0.945
   78    79   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    77    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    77    48    58.35000  112.70000
   33    77    72    58.35000  112.70000
   33    77    82    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    61    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    45    58.35000  112.70000
   41    43    48    58.35000  112.70000
   41    61    58    58.35000  112.70000
   41    61    62    37.50000  110.70000
   41    61    69    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    48    52    63.00000  111.10000
   43    48    77    58.35000  112.70000
   43    48    54    58.35000  112.70000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    58    58.35000  112.70000
   47    45    46    33.00000  107.80000
   49    45    46    37.50000  110.70000
   49    45    47    37.50000  110.70000
   49    58    61    58.35000  112.70000
   49    58    80    58.35000  112.70000
   49    58    63    58.35000  112.70000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    69    58.35000  112.70000
   58    80    74    58.35000  112.70000
   58    80    81    37.50000  110.70000
   58    80    84    58.35000  112.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   61    41    42    37.50000  110.70000
   61    41    43    58.35000  112.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    74    58.35000  112.70000
   69    61    62    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    80    58.35000  112.70000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    84    58.35000  112.70000
   76    74    75    33.00000  107.80000
   80    58    61    58.35000  112.70000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    84    85    58.35000  112.70000
   80    84    87    58.35000  112.70000
   80    84    91    50.00000  109.50000
   84    80    81    37.50000  110.70000
   84    85    86    37.50000  110.70000
   84    85    93    58.35000  112.70000
   84    85   108    50.00000  109.50000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    37.50000  110.70000
   84    91    92    55.00000  108.50000
   85    93    94    37.50000  110.70000
   85    93    95    37.50000  110.70000
   85    93    96    70.00000  112.02700
   85   108   102    83.00000  116.90000
   93    85    86    37.50000  110.70000
   93    96    97    70.00000  124.00000
   93    96    98    65.00000  117.92700
   95    93    94    33.00000  107.80000
   96    93    94    35.00000  109.50000
   96    93    95    35.00000  109.50000
   96    97   102    65.00000  118.96000
   96    97   104    70.00000  124.00000
   96    98    99    35.00000  109.50000
   96    98   100    35.00000  109.50000
   96    98   101    35.00000  109.50000
   97   102   103    80.00000  123.72100
   97   102   108    90.00000  111.29400
   97   104   105    35.00000  109.50000
   97   104   106    35.00000  109.50000
   97   104   107    35.00000  109.50000
  108    85    86    35.00000  109.50000
  108    85    93    50.00000  109.50000
  108   102   103    83.00000  123.40000
  104    97   102    65.00000  116.34900
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   98    96    97    70.00000  124.00000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   87    84    85    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    84    85    50.00000  109.50000
   91    84    87    50.00000  109.50000
   63    58    61    58.35000  112.70000
   63    58    80    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    52    53    80.00000  120.40000
   48    52    59    65.00000  118.62400
   48    77    72    58.35000  112.70000
   48    77    82    50.00000  109.50000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   52    59    60    40.00000  117.72500
   52    59    67    65.00000  118.96000
   59    52    53    80.00000  123.72100
   59    67    68    35.00000  120.00000
   59    67    72    70.00000  124.00000
   67    59    60    35.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    77    70.00000  112.02700
   67    72    78    90.00000  110.39200
   72    67    68    35.00000  117.00000
   72    77    82    50.00000  109.50000
   72    78    79    55.00000  108.50000
   77    33    34    37.50000  110.70000
   77    33    38    58.35000  112.70000
   77    48    52    63.00000  111.10000
   77    72    73    37.50000  110.70000
   77    82    83    55.00000  108.50000
   78    72    73    35.00000  109.50000
   78    72    77    50.00000  109.50000
   54    48    52    63.00000  111.10000
   54    48    77    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
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  102    97   104   105   0.15000  1.0 3.0
  102    97   104   106   0.15000  1.0 3.0
  102    97   104   107   0.15000  1.0 3.0
  103   102   108    85   3.00000 -1.0 2.0
  108    85    93    94   0.23400  1.0 3.0
  108    85    93    95   0.23400  1.0 3.0
  108    85   -93    96   0.61850  1.0 1.0
  108    85   -93    96  -0.22750 -1.0 2.0
  108    85   -93    96   0.15300  1.0 3.0
  104    97   102   103  -0.64400  1.0 1.0
  104    97   102   103   0.26850 -1.0 2.0
  104    97   102   108  -0.15000  1.0 1.0
  104    97   102   108   0.89550 -1.0 2.0
  104    97   102   108  -0.06900  1.0 3.0
   98    96    97   102   7.00000 -1.0 2.0
   98    96    97   104   7.00000 -1.0 2.0
   87    84    85    86   0.15000  1.0 3.0
   87    84    85    93   0.56750  1.0 1.0
   87    84    85    93  -0.07550 -1.0 2.0
   87    84    85    93   0.20000  1.0 3.0
   87    84    85   108   0.62750  1.0 1.0
   87    84    85   108  -0.30950 -1.0 2.0
   87    84    85   108   0.27300  1.0 3.0
   87    84    91    92  -0.11600  1.0 1.0
   87    84    91    92  -0.09450 -1.0 2.0
   87    84    91    92   0.21250  1.0 3.0
   91    84    85    86   0.23400  1.0 3.0
   91    84    85    93   0.86500  1.0 1.0
   91    84    85    93  -0.17500 -1.0 2.0
   91    84    85    93   0.20800  1.0 3.0
   91    84    85   108   3.69350  1.0 1.0
   91    84    85   108  -1.82950 -1.0 2.0
   91    84    87    88   0.23400  1.0 3.0
   91    84    87    89   0.23400  1.0 3.0
   91    84    87    90   0.23400  1.0 3.0
   63    58    61    41   0.56750  1.0 1.0
   63    58    61    41  -0.07550 -1.0 2.0
   63    58    61    41   0.20000  1.0 3.0
   63    58    61    62   0.15000  1.0 3.0
   63    58    61    69   0.56750  1.0 1.0
   63    58    61    69  -0.07550 -1.0 2.0
   63    58    61    69   0.20000  1.0 3.0
   63    58    80    74   0.56750  1.0 1.0
   63    58    80    74  -0.07550 -1.0 2.0
   63    58    80    74   0.20000  1.0 3.0
   63    58    80    81   0.15000  1.0 3.0
   63    58    80    84   0.56750  1.0 1.0
   63    58    80    84  -0.07550 -1.0 2.0
   63    58    80    84   0.20000  1.0 3.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    49   0.56750  1.0 1.0
   48    43    45    49  -0.07550 -1.0 2.0
   48    43    45    49   0.20000  1.0 3.0
   48    52    59    60   0.04550  1.0 1.0
   48    52    59    60   0.83000 -1.0 2.0
   48    52    59    60  -0.04000  1.0 3.0
   48    52    59    67  -0.33500  1.0 1.0
   48    52    59    67   1.06600 -1.0 2.0
   48    52    59    67  -0.14000  1.0 3.0
   48    77    82    83  -0.11600  1.0 1.0
   48    77    82    83  -0.09450 -1.0 2.0
   48    77    82    83   0.21250  1.0 3.0
   52    48    77    33  -0.95700  1.0 1.0
   52    48    77    33  -0.18200 -1.0 2.0
   52    48    77    33   0.29450  1.0 3.0
   52    48    77    72  -0.95700  1.0 1.0
   52    48    77    72  -0.18200 -1.0 2.0
   52    48    77    72   0.29450  1.0 3.0
   52    48    77    82  -0.09450  1.0 1.0
   52    48    77    82  -1.12950 -1.0 2.0
   52    48    77    82   0.54000  1.0 3.0
   52    48    54    55  -0.11250  1.0 3.0
   52    48    54    56  -0.11250  1.0 3.0
   52    48    54    57  -0.11250  1.0 3.0
   52    59    67    68   7.00000 -1.0 2.0
   52    59   -67    72   7.00000 -1.0 2.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    67   1.00000 -1.0 2.0
   59    67    72    73   0.00000  1.0 1.0
   59    67    72    77   0.09850  1.0 1.0
   59    67    72    77   0.15250 -1.0 2.0
   59    67    72    77  -0.50650  1.0 3.0
   59    67    72    78   0.67800  1.0 1.0
   59    67    72    78   0.47050 -1.0 2.0
   59    67    72    78  -0.62500  1.0 3.0
   60    59    67    68   7.00000 -1.0 2.0
   60    59    67    72   7.00000 -1.0 2.0
   67    72    77    33   0.34400  1.0 1.0
   67    72    77    33   0.09450 -1.0 2.0
   67    72    77    33   0.11100  1.0 3.0
   67    72   -77    48   0.34400  1.0 1.0
   67    72   -77    48   0.09450 -1.0 2.0
   67    72   -77    48   0.11100  1.0 3.0
   67    72    77    82   1.05650  1.0 1.0
   67    72    77    82   0.15600 -1.0 2.0
   67    72    77    82   0.53150  1.0 3.0
   67    72    78    79  -0.07800  1.0 1.0
   67    72    78    79  -0.21500 -1.0 2.0
   67    72    78    79  -0.03150  1.0 3.0
   68    67    72    73   0.33100  1.0 3.0
   68    67    72    77   0.00000  1.0 1.0
   68    67    72    78   0.00000  1.0 1.0
   72    77    82    83  -0.11600  1.0 1.0
   72    77    82    83  -0.09450 -1.0 2.0
   72    77    82    83   0.21250  1.0 3.0
   73    72    77    33   0.15000  1.0 3.0
   73    72    77    48   0.15000  1.0 3.0
   73    72    77    82   0.23400  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   77    33    38    39   0.15000  1.0 3.0
   77    33    38    40   0.15000  1.0 3.0
   77    33   -38    41   0.56750  1.0 1.0
   77    33   -38    41  -0.07550 -1.0 2.0
   77    33   -38    41   0.20000  1.0 3.0
   77    48    52    53   0.30150 -1.0 2.0
   77    48   -52    59   0.65300  1.0 1.0
   77    48   -52    59  -0.03850 -1.0 2.0
   77    48   -52    59   0.33900  1.0 3.0
   77    48    54    55   0.15000  1.0 3.0
   77    48    54    56   0.15000  1.0 3.0
   77    48    54    57   0.15000  1.0 3.0
   77    72    78    79  -0.11600  1.0 1.0
   77    72    78    79  -0.09450 -1.0 2.0
   77    72    78    79   0.21250  1.0 3.0
   78    72    77    33   0.86500  1.0 1.0
   78    72    77    33  -0.17500 -1.0 2.0
   78    72    77    33   0.20800  1.0 3.0
   78    72    77    48   0.86500  1.0 1.0
   78    72    77    48  -0.17500 -1.0 2.0
   78    72    77    48   0.20800  1.0 3.0
   78    72    77    82   3.75450  1.0 1.0
   54    48    52    53   0.30150 -1.0 2.0
   54    48    52    59   0.65300  1.0 1.0
   54    48    52    59  -0.03850 -1.0 2.0
   54    48    52    59   0.33900  1.0 3.0
   54    48    77    33   0.56750  1.0 1.0
   54    48    77    33  -0.07550 -1.0 2.0
   54    48    77    33   0.20000  1.0 3.0
   54    48    77    72   0.56750  1.0 1.0
   54    48    77    72  -0.07550 -1.0 2.0
   54    48    77    72   0.20000  1.0 3.0
   54    48    77    82   0.86500  1.0 1.0
   54    48    77    82  -0.17500 -1.0 2.0
   54    48    77    82   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   93    98    96    97   1.10000 -1.0 2.0
  102   104    97    96   1.10000 -1.0 2.0
   97   108   102   103  10.50000 -1.0 2.0
   48    59    52    53  10.50000 -1.0 2.0
   52    60    59    67   1.10000 -1.0 2.0
   72    68    67    59   1.10000 -1.0 2.0
END
