* LIGAND DATABASE FILE (OPLS2005)
*
001     116   117    219    333     658
    1     0 S   NP   _N1_     1    28.55350    91.25296   -21.59459
    2     1 S   H    _HN1     2     1.02832    31.43643    89.85768
    3     1 S   H    _H1_     3     1.02773    81.50069  -122.89710
    4     1 S   H    _H2_     4     1.02961   100.46840   -15.64414
    5     1 S   CT   _CA1     5     1.50220   138.79126   122.76388
    6     5 S   HC   _HA1     6     1.09553   105.19446    41.79868
    7     5 S   CO3  _C1_     7     1.53911   112.28529   -78.47094
    8     7 S   O2Z  _O11     8     1.26444   114.92021   -38.58178
    9     7 S   O2Z  _O12     9     1.26234   114.98594   140.26292
   10     5 S   CT   _CB1    10     1.53053   107.35064   160.00686
   11    10 S   HC   HB11    11     1.09822   109.65159   -45.53442
   12    10 S   HC   HB12    12     1.09791   110.14261    71.09455
   13    10 S   CT   _CG1    13     1.53059   112.86365  -166.62419
   14    13 S   HC   HG11    14     1.09519   110.42010   -60.74565
   15    13 S   HC   HG12    15     1.09614   110.14746    58.58158
   16    13 S   C    _CD1    16     1.51785   111.92778   178.87813
   17    16 S   O    _OE1    17     1.22776   123.29950    -5.93808
   18    16 S   N    _N2_    18     1.38668   112.14820   173.79701
   19    18 S   H    _HN2    19     1.01576   119.47548     6.32784
   20    18 S   CT1  _CA2    20     1.45738   122.10511  -176.46986
   21    20 S   HC   _HA2    21     1.09515   108.05895    33.66301
   22    20 S   C    _C2_    22     1.52953   107.75819   -83.38011
   23    22 S   O    _O2_    23     1.22938   122.89816   -28.81370
   24    20 S   CT   _CB2    32     1.53293   112.99524   156.60721
   25    24 S   HC   HB21    33     1.09676   109.53835    66.32774
   26    24 S   HC   HB22    34     1.09583   110.90592  -176.72517
   27    22 S   N    _N3_    24     1.38622   112.32712   154.15144
   28    27 S   H    _HN3    25     1.01487   119.76335     0.65012
   29    24 S   S    _SG2    35     1.82620   114.89032   -53.01864
   30    27 S   CT   _CA3    26     1.45441   122.82854   175.08953
   31    30 S   HC   HA31    27     1.09538   108.95480    30.22460
   32    30 S   HC   HA32    28     1.09478   107.16758   147.38624
   33    29 S   CT   _C29    36     1.83512   101.22852   -68.03162
   34    33 S   HC   _H3_    37     1.09558   106.52547  -115.43964
   35    33 S   HC   _H4_    38     1.09209   108.63065    -0.26170
   36    30 S   CO3  _C3_    29     1.53066   113.61264   -92.74354
   37    36 S   O2Z  _O31    30     1.26375   115.84569   -29.66292
   38    36 S   O2Z  _O32    31     1.26414   114.65974   151.18928
   39    33 S   CT   _C21    39     1.55066   112.85678   123.10372
   40    39 S   CO4  _C4_    40     1.55216   110.07418    60.44629
   41    40 S   O    _O27    41     1.23809   119.57791    48.78197
   42    39 S   CT   _C6_    63     1.56322   110.05588   177.55928
   43    42 S   HC   _H38    64     1.09764   109.12237   -28.70065
   44    42 S   HC   _H39    65     1.09677   107.79332  -141.54300
   45    39 S   OH   _O37   115     1.41195   108.78336   -62.92259
   46    45 S   HO   _H82   116     0.97186   108.08039    48.82546
   47    40 S   CT   _C8_    42     1.54019   121.59357  -131.43479
   48    47 S   HC   _H42    43     1.09424   103.39608  -165.96716
   49    47 S   CT   _C14    44     1.54715   113.66696   -49.27887
   50    49 S   HC   _H48    45     1.09153   109.81418    -9.48639
   51    47 S   CT   _C22   111     1.52972   110.09403    81.92981
   52    51 S   HC   _H55   112     1.09237   112.65446   -67.18563
   53    51 S   HC   _H56   113     1.09419   111.10271   171.81820
   54    51 S   HC   _H57   114     1.09566   110.49463    52.67207
   55    49 S   CT   _C12    46     1.55646   116.50501  -131.96260
   56    55 S   HC   _H46    47     1.10052   104.86669  -167.90711
   57    49 S   OH   _O34   109     1.43286   108.64799   105.64000
   58    57 S   HO   _H79   110     0.97267   108.64962  -179.59555
   59    55 S   CT   _C18    48     1.55251   115.66799    77.04679
   60    59 S   HC   _H52    49     1.09849   108.29205   168.92278
   61    55 S   CT   _C26   105     1.53214   113.15137   -54.26062
   62    61 S   HC   _H67   106     1.09326   112.40985    65.38599
   63    61 S   HC   _H68   107     1.09512   110.83369   -55.43046
   64    61 S   HC   _H69   108     1.09541   110.48709  -174.29140
   65    59 S   OS   _O29    50     1.44725   110.12935    49.91559
   66    59 S   CT   _C27   101     1.52378   116.68587   -70.83224
   67    66 S   HC   _H70   102     1.09368   111.75546    72.08825
   68    66 S   HC   _H71   103     1.09248   112.53407   -52.02782
   69    66 S   HC   _H72   104     1.09667   109.44705  -171.67496
   70    65 S   CO4  _C5_    51     1.36560   118.10258    84.51923
   71    70 S   O    _O28    52     1.22292   125.78898    -1.23938
   72    70 S   CT   _C9_    53     1.52460   109.03359   178.38118
   73    72 S   HC   _H43    54     1.09908   104.40430   -45.10910
   74    72 S   CT   _C15    55     1.55933   110.03620    72.49688
   75    74 S   HC   _H49    56     1.09389   108.88970   -12.81310
   76    72 S   CT   _C23    97     1.53043   110.10638  -159.08943
   77    76 S   HC   _H58    98     1.09389   112.37276   -56.67045
   78    76 S   HC   _H59    99     1.09330   111.74454  -178.46316
   79    76 S   HC   _H60   100     1.09618   110.09577    61.97322
   80    74 S   CT   _C11    57     1.56071   111.13466  -130.70049
   81    80 S   HC   _H45    58     1.09778   108.44077    51.88260
   82    74 S   OS   _O38    76     1.43401   112.47282   107.06447
   83    80 S   CT   _C16    59     1.55691   113.51172   171.62391
   84    83 S   HC   _H50    60     1.09685   107.90366    67.23937
   85    80 S   CT   _C25    72     1.54208   111.73744   -64.58207
   86    85 S   HC   _H64    73     1.09489   111.45678   -61.01831
   87    85 S   HC   _H65    74     1.09492   111.41295   178.56523
   88    85 S   HC   _H66    75     1.09335   111.44048    60.14039
   89    82 S   CO   _C20    77     1.43223   114.34029   -81.35544
   90    89 S   HC   _H54    78     1.09341   109.61305    40.73212
   91    83 S   CT   _C10    61     1.55833   117.11216   -54.74474
   92    91 S   HC   _H44    62     1.09407   107.63131    61.94234
   93    83 S   OH   _O35    70     1.43382   109.05471  -178.46813
   94    93 S   HO   _H80    71     0.97185   108.09086    54.63436
   95    89 S   CT   _C7_    79     1.52707   109.04970   158.11347
   96    95 S   HC   _H40    80     1.09639   110.84654   -51.48526
   97    95 S   HC   _H41    81     1.09789   109.47217  -168.92852
   98    91 S   CT   _C24    66     1.53605   108.87276   177.72015
   99    98 S   HC   _H61    67     1.09482   111.61072    72.35405
  100    98 S   HC   _H62    68     1.09559   110.83972   -48.05294
  101    98 S   HC   _H63    69     1.09230   111.49801  -166.50565
  102    95 S   CT   _C13    82     1.52478   111.61476    70.71921
  103   102 S   HC   _H47    83     1.09661   110.84828   -69.79176
  104   102 S   CT   _C17    84     1.52953   110.12798    52.44821
  105   104 S   HC   _H51    85     1.09702   109.07791    69.70778
  106   102 S   OH   _O33    95     1.42611   109.25161   172.34452
  107   106 S   HO   _H78    96     0.97245   107.53049    60.22871
  108   104 S   CT   _C19    86     1.53251   110.42807   -51.73577
  109   108 S   HC   _H53    87     1.09551   109.77196   -66.71583
  110   104 S   OH   _O36    93     1.42674   109.84227  -173.31663
  111   110 S   HO   _H81    94     0.97237   108.07359    58.22050
  112    89 S   OS   _O30    88     1.42969   113.46719   -78.26185
  113   108 S   CT   _C28    89     1.52463   111.55034   174.29927
  114   113 S   HC   _H73    90     1.09555   110.92404   -59.63279
  115   113 S   HC   _H74    91     1.09482   110.17120  -177.39977
  116   113 S   HC   _H75    92     1.09386   111.75124    61.87805
  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   7   5   4   3
  12   5   4   2   1   1  15  17   6  15   6   5   3   1  13   8
  17   7   5   2   1   1  15   9   3   1  13   7   5   2   1   1
  10   4   2   1   1  11   4  13   8  20   7   5   2   1   1  14
   9  10  13   6   5   2   1   1  12   6   7   5   2   1  11   6
   5   3   2   1   1  11   6  12   7   3   1   8   6   3   1   4
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    47    91    42    43    44    45    46  
   35    39    40    42    45  
   39    40    42    45  
   37    38  
   38  
    0  
   40    41    47    48    49    83    91    92    42    43    44    98    51    45    46  
   41    47    48    49    50    55    91    42    43    44    57    51    52    53    54    45    46  
   47    48    49    42    51    45  
   43    44    98    99   100   101    93    45    46    47    80    83    84    91    92  
   44    98    45    83    91    92  
   98    45    83    91    92  
   46    47    91  
    0  
   48    49    50    55    56    59    61    57    58    51    52    53    54  
   49    50    55    57    51    52    53    54  
   50    55    56    59    60    65    66    61    62    63    64    57    58    51    52    53    54  
   55    56    59    61    57    58    51  
   52    53    54    55    57  
   53    54  
   54  
    0  
   56    59    60    65    70    66    67    68    69    61    62    63    64    57    58  
   59    60    65    66    61    62    63    64    57  
   58    59    61  
    0  
   60    65    70    71    72    66    67    68    69    61    62    63    64  
   65    70    66    67    68    69    61  
   62    63    64    65    66  
   63    64  
   64  
    0  
   70    71    72    73    74    76    66    67    68    69  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74    75    80    82    76    77    78    79  
   72    73    74    76  
   73    74    75    80    81    83    85    82    89    76    77    78    79  
   74    75    80    82    76    77    78    79  
   75    80    81    83    84    91    93    85    86    87    88    82    89    90    95   112    76    77    78    79  
   80    81    83    85    82    89    76  
   77    78    79    80    82  
   78    79  
   79  
    0  
   81    83    84    91    92    98    93    94    85    86    87    88    82    89  
   83    84    91    93    85    86    87    88    82  
   89    90    95    96    97   102   108   112    83    85  
   84    91    92    98    99   100   101    93    94    85    86    87    88  
   91    92    98    93    94    85  
   86    87    88    91    93  
   87    88  
   88  
    0  
   90    95    96    97   102   103   104   108   109   112   113   106  
   95    96    97   102   108   112  
   92    98    99   100   101    93    94  
   98    99   100   101    93  
   94    98  
    0  
   96    97   102   103   104   105   108   112   110   106   107  
   97   102   103   104   112   106  
  102   103   104   112   106  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   108   109   112   113   110   111   106   107  
  104   105   108   110   106   107  
  105   108   109   112   113   114   115   116   110   111   106   107  
  108   109   112   113   110   111   106  
  107   108   110  
    0  
  109   112   113   114   115   116   110   111  
  112   113   114   115   116   110  
  111   112   113  
    0  
  113   114   115   116  
  114   115   116  
  115   116  
  116  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.180000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  108   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  110   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  111   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  112   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  113   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   317.000  1.522
   39    42   268.000  1.529
   39    45   320.000  1.410
   40    41   570.000  1.229
   40    47   317.000  1.522
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    57   320.000  1.410
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   268.000  1.529
   59    60   340.000  1.090
   59    65   320.000  1.410
   59    66   268.000  1.529
   65    70   214.000  1.327
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    76   268.000  1.529
   74    75   340.000  1.090
   74    80   268.000  1.529
   74    82   320.000  1.410
   80    81   340.000  1.090
   80    83   268.000  1.529
   80    85   268.000  1.529
   83    84   340.000  1.090
   83    91   268.000  1.529
   83    93   320.000  1.410
   91    92   340.000  1.090
   91    42   268.000  1.529
   91    98   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   93    94   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   82    89   320.000  1.380
   89    90   340.000  1.090
   89    95   250.000  1.527
   89   112   320.000  1.380
   95    96   340.000  1.090
   95    97   340.000  1.090
   95   102   268.000  1.529
  102   103   340.000  1.090
  102   104   268.000  1.529
  102   106   320.000  1.410
  104   105   340.000  1.090
  104   108   268.000  1.529
  104   110   320.000  1.410
  108   109   340.000  1.090
  108   112   320.000  1.410
  108   113   268.000  1.529
  113   114   340.000  1.090
  113   115   340.000  1.090
  113   116   340.000  1.090
  110   111   553.000  0.945
  106   107   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   57    58   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   45    46   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    63.00000  111.10000
   33    39    42    58.35000  112.70000
   33    39    45    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    80.00000  120.40000
   39    40    47    70.00000  116.00000
   39    42    91    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    45    46    55.00000  108.50000
   40    47    48    35.00000  109.50000
   40    47    49    63.00000  111.10000
   40    47    51    63.00000  111.10000
   47    40    41    80.00000  120.40000
   47    49    50    37.50000  110.70000
   47    49    55    58.35000  112.70000
   47    49    57    50.00000  109.50000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    54    37.50000  110.70000
   49    47    48    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    55    61    58.35000  112.70000
   49    57    58    55.00000  108.50000
   55    49    50    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    65    50.00000  109.50000
   55    59    66    58.35000  112.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    37.50000  110.70000
   59    55    56    37.50000  110.70000
   59    65    70    83.00000  116.90000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    69    37.50000  110.70000
   65    59    60    35.00000  109.50000
   65    70    71    83.00000  123.40000
   65    70    72    81.00000  111.40000
   70    72    73    35.00000  109.50000
   70    72    74    63.00000  111.10000
   70    72    76    63.00000  111.10000
   72    70    71    80.00000  120.40000
   72    74    75    37.50000  110.70000
   72    74    80    58.35000  112.70000
   72    74    82    50.00000  109.50000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   74    72    73    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    83    58.35000  112.70000
   74    80    85    58.35000  112.70000
   74    82    89    60.00000  109.50000
   80    74    75    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    91    58.35000  112.70000
   80    83    93    50.00000  109.50000
   80    85    86    37.50000  110.70000
   80    85    87    37.50000  110.70000
   80    85    88    37.50000  110.70000
   83    80    81    37.50000  110.70000
   83    91    92    37.50000  110.70000
   83    91    42    58.35000  112.70000
   83    91    98    58.35000  112.70000
   83    93    94    55.00000  108.50000
   91    83    84    37.50000  110.70000
   91    42    43    37.50000  110.70000
   91    42    44    37.50000  110.70000
   91    98    99    37.50000  110.70000
   91    98   100    37.50000  110.70000
   91    98   101    37.50000  110.70000
   42    39    40    63.00000  111.10000
   42    91    92    37.50000  110.70000
   44    42    43    33.00000  107.80000
   98    91    92    37.50000  110.70000
   98    91    42    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   93    83    84    35.00000  109.50000
   93    83    91    50.00000  109.50000
   85    80    81    37.50000  110.70000
   85    80    83    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   82    74    75    35.00000  109.50000
   82    74    80    50.00000  109.50000
   82    89    90    35.00000  109.50000
   82    89    95    90.00000  108.56700
   82    89   112    92.60000  111.55000
   89    95    96    45.00000  108.72000
   89    95    97    45.00000  108.72000
   89    95   102    75.00000  109.43000
   89   112   108    60.00000  109.50000
   95    89    90    45.00000  112.01100
   95   102   103    37.50000  110.70000
   95   102   104    58.35000  112.70000
   95   102   106    50.00000  109.50000
   97    95    96    33.00000  107.80000
  102    95    96    37.50000  110.70000
  102    95    97    37.50000  110.70000
  102   104   105    37.50000  110.70000
  102   104   108    58.35000  112.70000
  102   104   110    50.00000  109.50000
  102   106   107    55.00000  108.50000
  104   102   103    37.50000  110.70000
  104   108   109    37.50000  110.70000
  104   108   112    50.00000  109.50000
  104   108   113    58.35000  112.70000
  104   110   111    55.00000  108.50000
  108   104   105    37.50000  110.70000
  108   113   114    37.50000  110.70000
  108   113   115    37.50000  110.70000
  108   113   116    37.50000  110.70000
  112    89    90    35.00000  109.50000
  112    89    95    90.00000  108.56700
  112   108   109    35.00000  109.50000
  113   108   109    37.50000  110.70000
  113   108   112    50.00000  109.50000
  115   113   114    33.00000  107.80000
  116   113   114    33.00000  107.80000
  116   113   115    33.00000  107.80000
  110   104   105    35.00000  109.50000
  110   104   108    50.00000  109.50000
  106   102   103    35.00000  109.50000
  106   102   104    50.00000  109.50000
   76    72    73    37.50000  110.70000
   76    72    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    65    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   57    49    50    35.00000  109.50000
   57    49    55    50.00000  109.50000
   51    47    48    37.50000  110.70000
   51    47    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   45    39    40    90.00000  109.61100
   45    39    42    50.00000  109.50000
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
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   95   102   104   110   0.86500  1.0 1.0
   95   102   104   110  -0.17500 -1.0 2.0
   95   102   104   110   0.20800  1.0 3.0
   95   102   106   107  -0.11600  1.0 1.0
   95   102   106   107  -0.09450 -1.0 2.0
   95   102   106   107   0.21250  1.0 3.0
   96    95   102   103   0.15000  1.0 3.0
   96    95   102   104   0.15000  1.0 3.0
   96    95   102   106   0.23400  1.0 3.0
   97    95   102   103   0.15000  1.0 3.0
   97    95   102   104   0.15000  1.0 3.0
   97    95   102   106   0.23400  1.0 3.0
  102   104   108   109   0.15000  1.0 3.0
  102   104   108   112   0.62750  1.0 1.0
  102   104   108   112  -0.30950 -1.0 2.0
  102   104   108   112   0.27300  1.0 3.0
  102   104   108   113   0.56750  1.0 1.0
  102   104   108   113  -0.07550 -1.0 2.0
  102   104   108   113   0.20000  1.0 3.0
  102   104   110   111  -0.11600  1.0 1.0
  102   104   110   111  -0.09450 -1.0 2.0
  102   104   110   111   0.21250  1.0 3.0
  103   102   104   105   0.15000  1.0 3.0
  103   102   104   108   0.15000  1.0 3.0
  103   102   104   110   0.23400  1.0 3.0
  103   102   106   107   0.19450  1.0 3.0
  104   102   106   107  -0.11600  1.0 1.0
  104   102   106   107  -0.09450 -1.0 2.0
  104   102   106   107   0.21250  1.0 3.0
  104   108  -112    89   0.06250  1.0 1.0
  104   108  -112    89  -0.01100 -1.0 2.0
  104   108  -112    89   0.28050  1.0 3.0
  104   108   113   114   0.15000  1.0 3.0
  104   108   113   115   0.15000  1.0 3.0
  104   108   113   116   0.15000  1.0 3.0
  105   104   108   109   0.15000  1.0 3.0
  105   104   108   112   0.23400  1.0 3.0
  105   104   108   113   0.15000  1.0 3.0
  105   104   110   111   0.19450  1.0 3.0
  108   104   110   111  -0.11600  1.0 1.0
  108   104   110   111  -0.09450 -1.0 2.0
  108   104   110   111   0.21250  1.0 3.0
  109   108   112    89   0.37050  1.0 3.0
  109   108   113   114   0.15000  1.0 3.0
  109   108   113   115   0.15000  1.0 3.0
  109   108   113   116   0.15000  1.0 3.0
  112    89    95    96   0.23400  1.0 3.0
  112    89    95    97   0.23400  1.0 3.0
  112    89   -95   102   0.62750  1.0 1.0
  112    89   -95   102  -0.30950 -1.0 2.0
  112    89   -95   102   0.27300  1.0 3.0
  112   108   113   114   0.23400  1.0 3.0
  112   108   113   115   0.23400  1.0 3.0
  112   108   113   116   0.23400  1.0 3.0
  113   108   112    89   0.06250  1.0 1.0
  113   108   112    89  -0.01100 -1.0 2.0
  113   108   112    89   0.28050  1.0 3.0
  110   104   108   109   0.23400  1.0 3.0
  110   104   108   112   3.69350  1.0 1.0
  110   104   108   112  -1.82950 -1.0 2.0
  110   104   108   113   0.86500  1.0 1.0
  110   104   108   113  -0.17500 -1.0 2.0
  110   104   108   113   0.20800  1.0 3.0
  106   102   104   105   0.23400  1.0 3.0
  106   102   104   108   0.86500  1.0 1.0
  106   102   104   108  -0.17500 -1.0 2.0
  106   102   104   108   0.20800  1.0 3.0
  106   102   104   110   3.75450  1.0 1.0
   76    72    74    75   0.15000  1.0 3.0
   76    72    74    80   0.56750  1.0 1.0
   76    72    74    80  -0.07550 -1.0 2.0
   76    72    74    80   0.20000  1.0 3.0
   76    72    74    82   0.62750  1.0 1.0
   76    72    74    82  -0.30950 -1.0 2.0
   76    72    74    82   0.27300  1.0 3.0
   66    59    65    70  -0.25900  1.0 1.0
   66    59    65    70  -0.47000 -1.0 2.0
   66    59    65    70   0.11750  1.0 3.0
   61    55    59    60   0.15000  1.0 3.0
   61    55    59    65   0.62750  1.0 1.0
   61    55    59    65  -0.30950 -1.0 2.0
   61    55    59    65   0.27300  1.0 3.0
   61    55    59    66   0.56750  1.0 1.0
   61    55    59    66  -0.07550 -1.0 2.0
   61    55    59    66   0.20000  1.0 3.0
   57    49    55    56   0.23400  1.0 3.0
   57    49    55    59   0.86500  1.0 1.0
   57    49    55    59  -0.17500 -1.0 2.0
   57    49    55    59   0.20800  1.0 3.0
   57    49    55    61   0.86500  1.0 1.0
   57    49    55    61  -0.17500 -1.0 2.0
   57    49    55    61   0.20800  1.0 3.0
   51    47    49    50   0.15000  1.0 3.0
   51    47    49    55   0.56750  1.0 1.0
   51    47    49    55  -0.07550 -1.0 2.0
   51    47    49    55   0.20000  1.0 3.0
   51    47    49    57   0.86500  1.0 1.0
   51    47    49    57  -0.17500 -1.0 2.0
   51    47    49    57   0.20800  1.0 3.0
   45    39    40    41   0.30150 -1.0 2.0
   45    39    40    47   0.55300  1.0 1.0
   45    39    40    47   1.25850 -1.0 2.0
   45    39    40    47  -0.23600  1.0 3.0
   45    39    42    91   0.86500  1.0 1.0
   45    39    42    91  -0.17500 -1.0 2.0
   45    39    42    91   0.20800  1.0 3.0
   45    39    42    43   0.23400  1.0 3.0
   45    39    42    44   0.23400  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
   38    30    36    37  10.50000 -1.0 2.0
   39    47    40    41  10.50000 -1.0 2.0
   65    72    70    71  10.50000 -1.0 2.0
END
