* LIGAND DATABASE FILE (OPLS2005)
*
001     117   120    224    353     657
    1     0 S   NP   _N1_     1    30.33188    89.64188   -17.63147
    2     1 S   H    _HN1     2     1.02834    28.52267    35.08051
    3     1 S   H    _H1_     3     1.02777   106.30988   -62.51674
    4     1 S   H    _H2_     4     1.02962   131.40317    71.49926
    5     1 S   CT   _CA1     5     1.50158    86.11270  -174.58264
    6     5 S   HC   _HA1     6     1.09582   105.12705    44.62658
    7     5 S   CO3  _C1_     7     1.53684   112.57947   -75.23120
    8     7 S   O2Z  _O11     8     1.26442   115.08430   -39.29762
    9     7 S   O2Z  _O12     9     1.26215   115.09860   140.08568
   10     5 S   CT   _CB1    10     1.53104   107.32443   162.33414
   11    10 S   HC   HB11    11     1.09841   109.22260   -51.87042
   12    10 S   HC   HB12    12     1.09662   110.29819    64.28502
   13    10 S   CT   _CG1    13     1.52888   112.90055  -173.24753
   14    13 S   HC   HG11    14     1.09555   111.14803   -73.81186
   15    13 S   HC   HG12    15     1.09636   110.68852    45.23702
   16    13 S   C    _CD1    16     1.51399   110.72512   164.43454
   17    16 S   O    _OE1    17     1.22934   121.43771   -98.91324
   18    16 S   N    _N2_    18     1.38375   113.52489    80.33844
   19    18 S   H    _HN2    19     1.01713   119.10447     2.63611
   20    18 S   CT1  _CA2    20     1.46127   122.38263   178.39197
   21    20 S   HC   _HA2    21     1.09685   109.78473    26.36977
   22    20 S   C    _C2_    22     1.52939   105.38554   -91.04066
   23    22 S   O    _O2_    23     1.22974   122.51663   -90.31090
   24    20 S   CT   _CB2    32     1.53079   112.02448   149.57695
   25    24 S   HC   HB21    33     1.09255   110.06952    52.67946
   26    24 S   HC   HB22    34     1.09553   110.23725   171.14632
   27    22 S   N    _N3_    24     1.38502   112.90542    86.27125
   28    27 S   H    _HN3    25     1.01579   119.49056     2.93665
   29    24 S   S    _SG2    35     1.82462   112.02621   -68.82355
   30    27 S   CT   _CA3    26     1.45406   122.86586   179.76427
   31    30 S   HC   HA31    27     1.09546   108.75988    33.12264
   32    30 S   HC   HA32    28     1.09481   107.20167   150.06115
   33    29 S   CT   _C35    36     1.84755    99.21413   158.66251
   34    33 S   HC   _H3_    37     1.09658   108.54260    14.93829
   35    30 S   CO3  _C3_    29     1.52992   113.78736   -89.88112
   36    35 S   O2Z  _O31    30     1.26355   115.82285   -34.42843
   37    35 S   O2Z  _O32    31     1.26424   114.69132   146.50971
   38    33 S   CM   _C12    38     1.51253   106.88331   129.53166
   39    38 S   HC   _H46    39     1.09065   114.59800   -66.76118
   40    33 S   CT   _C33    56     1.53438   110.20340  -104.06773
   41    40 S   HC   _H77    57     1.09811   110.75652  -173.92762
   42    40 S   HC   _H78    58     1.09786   111.92761   -56.32431
   43    38 S   CM   _C10    40     1.34287   127.19285   114.36644
   44    43 S   HC   _H44    41     1.08604   120.46666    -0.91365
   45    40 S   CO4  _C14    59     1.50990   113.04964    65.53285
   46    45 S   O    _O35    60     1.22250   123.45012   -95.41622
   47    43 S   CM   _C9_    42     1.44620   122.89678   179.41483
   48    47 S   HC   _H43    43     1.08726   117.37997    -0.00000
   49    45 S   OS   _O39    61     1.36215   110.33813    83.99231
   50    47 S   CM   _C11    44     1.34147   123.10667   179.88636
   51    50 S   HC   _H45    45     1.08797   119.96383     0.35443
   52    49 S   C3T  _C23    62     1.45788   119.57309   178.32462
   53    50 S   CT   _C32    46     1.50193   123.63954   179.76845
   54    53 S   HC   _H75    47     1.09663   108.41503  -121.38068
   55    53 S   HC   _H76    48     1.09690   110.79264    -4.48428
   56    52 S   C3T  _C19    63     1.51029   118.38377    71.98246
   57    56 S   HC   _H52    64     1.08371   115.12183    -9.18200
   58    53 S   CT   _C34    49     1.52888   111.24740   117.75639
   59    58 S   HC   _H79    50     1.09685   110.11555    58.30728
   60    58 S   HC   _H80    51     1.09685   110.02205   -59.45575
   61    56 S   CT   _C17    65     1.51864   120.73738  -147.92713
   62    61 S   HC   _H50    66     1.09581   105.96652   -83.89474
   63    52 S   C3T  _C24   109     1.54084   111.95038   138.65252
   64    58 S   CT   _C30    52     1.52078   111.43652   179.43214
   65    64 S   HC   _H70    53     1.09469   111.00287    60.30774
   66    64 S   HC   _H71    54     1.09450   110.25728  -179.95154
   67    64 S   HC   _H72    55     1.09468   110.99441   -60.22425
   68    61 S   CM   _C5_    67     1.51980   112.56662   163.53738
   69    68 S   HC   _H42    68     1.08769   115.76689   -12.59607
   70    61 S   CT   _C22    82     1.57715   110.94995    32.65393
   71    63 S   CT   _C28   110     1.51663   118.72626    -6.84037
   72    71 S   HC   _H64   111     1.09500   110.16270    81.01452
   73    71 S   HC   _H65   112     1.09473   112.65203   -39.60233
   74    71 S   HC   _H66   113     1.09526   110.26386  -159.41109
   75    63 S   CT   _C29   114     1.50832   120.45594   136.81077
   76    75 S   HC   _H67   115     1.09564   109.91274   -89.63958
   77    75 S   HC   _H68   116     1.09546   109.98071   151.72667
   78    75 S   HC   _H69   117     1.08877   114.51033    30.79496
   79    68 S   CM   _C7_    69     1.34975   126.62383   162.84436
   80    70 S   CT   _C20    83     1.56964   106.44027   -60.16664
   81    80 S   HC   _H53    84     1.09637   108.03804   -57.85892
   82    70 S   OH   _O36    98     1.43249   107.41188    56.40710
   83    82 S   HO   _H82    99     0.97423   108.71778   177.42451
   84    79 S   CT   _C15    70     1.52138   125.71659     7.46006
   85    84 S   HC   _H47    71     1.09917   107.60995   137.67169
   86    84 S   HC   _H48    72     1.09739   108.97002  -108.17899
   87    52 S   CT   _C21    85     1.51445   112.85941   -74.18261
   88    87 S   HC   _H54    86     1.09819   107.92232    31.06264
   89    80 S   CT   _C27    94     1.54007   115.82378  -174.83502
   90    89 S   HC   _H61    95     1.09388   111.92085   -48.58640
   91    89 S   HC   _H62    96     1.09600   111.29709  -168.66207
   92    89 S   HC   _H63    97     1.09197   111.41483    74.19376
   93    79 S   CT   _C31   104     1.50993   119.52180  -175.44293
   94    93 S   HC   _H73   105     1.09509   112.23975     1.21499
   95    93 S   HC   _H74   106     1.09514   110.22408  -119.26372
   96    84 S   CT   _C18    73     1.53303   117.06438    15.94931
   97    96 S   HC   _H51    74     1.09666   110.97578   -85.92079
   98    87 S   OS   _O38    87     1.44943   109.09037   -86.71002
   99    93 S   OH   _O37   107     1.42127   109.33759   121.16258
  100    99 S   HO   _H83   108     0.97226   106.93562  -178.08848
  101    96 S   CO4  _C8_    75     1.50964   112.83892   155.49396
  102   101 S   O    _O33    76     1.22214   125.12856    49.47202
  103    98 S   CO4  _C13    88     1.36216   117.91913    86.25358
  104   103 S   O    _O34    89     1.22303   126.64489     1.01104
  105   101 S   CM   _C6_    77     1.47321   111.32269  -132.25452
  106   103 S   CT   _C26    90     1.49832   109.35324  -178.98124
  107   106 S   HC   _H58    91     1.09289   109.82741   -61.21548
  108   106 S   HC   _H59    92     1.09377   109.37191   179.70392
  109   106 S   HC   _H60    93     1.09298   109.80152    60.68269
  110   105 S   CM   _C4_    78     1.33636   105.76236     6.38697
  111   110 S   HC   _H41    79     1.08291   122.59539   176.86156
  112   105 S   CT   _C25   100     1.47751   124.05499  -175.02145
  113   112 S   HC   _H55   101     1.09443   110.57365   -58.52105
  114   112 S   HC   _H56   102     1.09476   111.40445  -178.53767
  115   112 S   HC   _H57   103     1.09442   110.47250    61.51610
  116    96 S   CT   _C16    80     1.53906   112.35622    40.28485
  117   116 S   HC   _H49    81     1.10206   109.73261    23.59099
  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   9   5   4   3
  12   7   2   1   1  10   4   7   4   3   6   3   6   2   7   3
  11   8   4  22   9   5   4  22   8   6   5   4  20   8  14   3
   2   1   1  14   4  21   8   3   2   1   4   2   1   1  12  15
   9   7   1  14   6   5  10   3   5   2   1   1   5   3   2   9
   6   6   1   1  10   4   5   4   8   3   2   1   1   7   3   4
   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    49  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    50    40    41    42    45  
   43    44    47    40  
   41    42    45    46    49    52    43  
   42    45    46    49  
   45    46    49  
   44    47    48    50    51    53  
   47    48    50  
   46    49    52    56    87    63  
   49    52  
   48    50    51    53    54    55    58  
   50    51    53  
   52    56    57    61    80    87    88    98    63    71    75  
   51    53    54    55    58    59    60    64  
   53    54    55    58  
   56    57    61    62    68    70    80    81    87    88    98   103    89    63    71    72    73    74    75    76    77    78  
   54    55    58    59    60    64    65    66    67  
   55    58    59    60    64  
   58    59    60    64  
   57    61    62    68    69    79   116    70    80    87    88    98    82    63    71    72    73    74    75    76    77    78  
   61    62    68    70    87    63    71    75  
   59    60    64    65    66    67  
   60    64    65    66    67  
   64    65    66    67  
   62    68    69    79    84    96   110   116   117    70    80    81    87    89    82    83    93    63    71    75  
   68    69    79   116    70    80    82    63  
   71    72    73    74    75    76    77    78    68    70    80    87    88    98  
   65    66    67  
   66    67  
   67  
    0  
   69    79    84    85    86    96   116    70    80    82    93    94    95    99  
   79    84    70    93  
   80    81    87    88    98    89    90    91    92    82    83    79    84    96    97   101   105   110   111   116   117  
   72    73    74    75    76    77    78    87  
   73    74    75  
   74    75  
   75  
   76    77    78    87  
   77    78  
   78  
    0  
   84    85    86    96    97   101   116    93    94    95    99   100  
   81    87    88    98   103    89    90    91    92    82    83    96   110   116   117  
   87    88    98    89    90    91    92    82   116  
   83    87    89    96   110   116   117  
  116  
   85    86    96    97   101   102   105   110   116   117    93    94    95    99  
   86    96    97   101   116    93  
   96    97   101   116    93  
   88    98   103   104   106    89    90    91    92   116  
   98   103    89  
   90    91    92    98   116  
   91    92  
   92  
    0  
   94    95    99   100    96  
   95    99   100  
   99   100  
   97   101   102   105   110   111   116   117   112  
  101   102   105   110   116   117  
  103   104   106   107   108   109  
  100  
    0  
  102   105   110   111   116   117   112   113   114   115  
  105   110   116   112  
  104   106   107   108   109  
  106   107   108   109  
  110   111   116   117   112   113   114   115  
  107   108   109  
  108   109  
  109  
    0  
  111   116   117   112   113   114   115  
  116   117   112  
  113   114   115   116  
  114   115  
  115  
    0  
  117  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.206000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.145000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  101   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  103   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  104   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  105   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  108   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  109   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  110   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  111   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  117   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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   380.000  1.444
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   340.000  1.080
   50    53   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    52   320.000  1.410
   52    56   260.000  1.509
   52    87   275.000  1.510
   52    63   260.000  1.509
   56    57   340.000  1.088
   56    61   275.000  1.510
   56    63   260.000  1.509
   61    62   340.000  1.090
   61    68   317.000  1.510
   61    70   268.000  1.529
   68    69   340.000  1.080
   68    79   549.000  1.340
   79    84   317.000  1.510
   79    93   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    96   268.000  1.529
   96    97   340.000  1.090
   96   101   317.000  1.522
   96   116   268.000  1.529
  101   102   570.000  1.229
  101   105   320.000  1.462
  105   110   549.000  1.340
  105   112   317.000  1.510
  110   111   340.000  1.080
  110   116   317.000  1.510
  116   117   340.000  1.090
  116    70   268.000  1.529
   70    80   268.000  1.529
   70    82   320.000  1.410
   80    81   340.000  1.090
   80    87   268.000  1.529
   80    89   268.000  1.529
   87    88   340.000  1.090
   87    98   320.000  1.410
   98   103   214.000  1.327
  103   104   570.000  1.229
  103   106   317.000  1.522
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   82    83   553.000  0.945
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    99   320.000  1.410
   99   100   553.000  0.945
   63    71   275.000  1.510
   63    75   275.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    50    70.00000  123.01800
   47    43    44    35.00000  120.00000
   47    50    51    35.00000  120.00000
   47    50    53    70.00000  124.00000
   50    47    48    35.00000  120.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    58    70.00000  112.02700
   53    50    51    35.00000  117.00000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    64    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    67    37.50000  110.70000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    49    81.00000  111.40000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    49    52    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    52    56    50.00000  109.50000
   49    52    87    50.00000  109.50000
   49    52    63    50.00000  109.50000
   52    56    57    37.50000  117.20000
   52    56    61    60.00000  120.94000
   52    56    63    10.00000   60.00500
   52    87    80    70.00000  112.37300
   52    87    88    45.00000  109.38400
   52    87    98    50.00000  109.50000
   52    63    56    10.00000   60.00500
   52    63    71    60.00000  120.94000
   52    63    75    60.00000  120.94000
   56    61    62    45.00000  109.38400
   56    61    68    70.00000  112.02700
   56    61    70    70.00000  112.37300
   56    63    71    60.00000  120.94000
   56    63    75    60.00000  120.94000
   61    56    57    40.00000  115.04500
   61    68    69    35.00000  117.00000
   61    68    79    70.00000  124.00000
   61    70   116    58.35000  112.70000
   61    70    80    58.35000  112.70000
   61    70    82    50.00000  109.50000
   68    61    62    35.00000  109.50000
   68    79    84    70.00000  124.00000
   68    79    93    70.00000  124.00000
   79    68    69    35.00000  120.00000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    96    70.00000  112.02700
   79    93    94    35.00000  109.50000
   79    93    95    35.00000  109.50000
   79    93    99    90.00000  110.39200
   84    96    97    37.50000  110.70000
   84    96   101    63.00000  111.10000
   84    96   116    58.35000  112.70000
   86    84    85    33.00000  107.80000
   96    84    85    37.50000  110.70000
   96    84    86    37.50000  110.70000
   96   101   102    80.00000  120.40000
   96   101   105    65.00000  118.62400
   96   116   110    70.00000  112.02700
   96   116   117    37.50000  110.70000
   96   116    70    58.35000  112.70000
  101    96    97    35.00000  109.50000
  101   105   110    65.00000  118.96000
  101   105   112    65.00000  116.34900
  105   101   102    80.00000  123.72100
  105   110   111    35.00000  120.00000
  105   110   116    70.00000  124.00000
  105   112   113    35.00000  109.50000
  105   112   114    35.00000  109.50000
  105   112   115    35.00000  109.50000
  110   116   117    35.00000  109.50000
  110   116    70    70.00000  112.02700
  116    96    97    37.50000  110.70000
  116    96   101    63.00000  111.10000
  116   110   111    35.00000  117.00000
  116    70    80    58.35000  112.70000
  116    70    82    50.00000  109.50000
   70    61    62    37.50000  110.70000
   70    61    68    70.00000  112.02700
   70   116   117    37.50000  110.70000
   70    80    81    37.50000  110.70000
   70    80    87    58.35000  112.70000
   70    80    89    58.35000  112.70000
   70    82    83    55.00000  108.50000
   80    87    88    37.50000  110.70000
   80    87    98    50.00000  109.50000
   80    89    90    37.50000  110.70000
   80    89    91    37.50000  110.70000
   80    89    92    37.50000  110.70000
   87    52    56    60.00000  120.94000
   87    80    81    37.50000  110.70000
   87    98   103    83.00000  116.90000
   98    87    88    35.00000  109.50000
   98   103   104    83.00000  123.40000
   98   103   106    81.00000  111.40000
  103   106   107    35.00000  109.50000
  103   106   108    35.00000  109.50000
  103   106   109    35.00000  109.50000
  106   103   104    80.00000  120.40000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   89    80    81    37.50000  110.70000
   89    80    87    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   82    70    80    50.00000  109.50000
  112   105   110    70.00000  124.00000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
   93    79    84    65.00000  117.92700
   93    99   100    55.00000  108.50000
   95    93    94    33.00000  107.80000
   99    93    94    35.00000  109.50000
   99    93    95    35.00000  109.50000
   63    52    56    10.00000   60.00500
   63    52    87    60.00000  120.94000
   63    56    57    37.50000  117.20000
   63    56    61    60.00000  120.94000
   63    71    72    45.00000  109.38400
   63    71    73    45.00000  109.38400
   63    71    74    45.00000  109.38400
   63    75    76    45.00000  109.38400
   63    75    77    45.00000  109.38400
   63    75    78    45.00000  109.38400
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    63    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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
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   97    96   116    70   0.15000  1.0 3.0
  101    96  -116   110  -0.98800  1.0 1.0
  101    96  -116   110   0.48800 -1.0 2.0
  101    96  -116   110   0.76800  1.0 3.0
  101    96   116   117  -0.11250  1.0 3.0
  101    96   116    70  -0.95700  1.0 1.0
  101    96   116    70  -0.18200 -1.0 2.0
  101    96   116    70   0.29450  1.0 3.0
  101   105   110   111   7.00000 -1.0 2.0
  101   105  -110   116   7.00000 -1.0 2.0
  101   105   112   113   0.15000  1.0 3.0
  101   105   112   114   0.15000  1.0 3.0
  101   105   112   115   0.15000  1.0 3.0
  102   101   105   110   1.00000 -1.0 2.0
  102   101   105   112  -0.64400  1.0 1.0
  102   101   105   112   0.26850 -1.0 2.0
  105   110  -116    96   0.09850  1.0 1.0
  105   110  -116    96   0.15250 -1.0 2.0
  105   110  -116    96  -0.50650  1.0 3.0
  105   110   116   117   0.00000  1.0 1.0
  105   110   116    70   0.09850  1.0 1.0
  105   110   116    70   0.15250 -1.0 2.0
  105   110   116    70  -0.50650  1.0 3.0
  110   105   112   113   0.00000  1.0 1.0
  110   105   112   114   0.00000  1.0 1.0
  110   105   112   115   0.00000  1.0 1.0
  110   116    70    61   0.34400  1.0 1.0
  110   116    70    61   0.09450 -1.0 2.0
  110   116    70    61   0.11100  1.0 3.0
  110   116    70    80   0.34400  1.0 1.0
  110   116    70    80   0.09450 -1.0 2.0
  110   116    70    80   0.11100  1.0 3.0
  110   116    70    82   1.05650  1.0 1.0
  110   116    70    82   0.15600 -1.0 2.0
  110   116    70    82   0.53150  1.0 3.0
  111   110   116    96   0.00000  1.0 1.0
  111   110   116   117   0.33100  1.0 3.0
  111   110   116    70   0.00000  1.0 1.0
  116    96   101   102   0.30150 -1.0 2.0
  116    96  -101   105   0.65300  1.0 1.0
  116    96  -101   105  -0.03850 -1.0 2.0
  116    96  -101   105   0.33900  1.0 3.0
  116    70    80    81   0.15000  1.0 3.0
  116    70    80    87   0.56750  1.0 1.0
  116    70    80    87  -0.07550 -1.0 2.0
  116    70    80    87   0.20000  1.0 3.0
  116    70    80    89   0.56750  1.0 1.0
  116    70    80    89  -0.07550 -1.0 2.0
  116    70    80    89   0.20000  1.0 3.0
  116    70    82    83  -0.11600  1.0 1.0
  116    70    82    83  -0.09450 -1.0 2.0
  116    70    82    83   0.21250  1.0 3.0
  117   116    70    61   0.15000  1.0 3.0
  117   116    70    80   0.15000  1.0 3.0
  117   116    70    82   0.23400  1.0 3.0
   70    61    68    69   0.00000  1.0 1.0
   70    61    68    79   0.09850  1.0 1.0
   70    61    68    79   0.15250 -1.0 2.0
   70    61    68    79  -0.50650  1.0 3.0
   70    80   -87    52   0.47050  1.0 1.0
   70    80   -87    52   0.03900 -1.0 2.0
   70    80   -87    52   0.20100  1.0 3.0
   70    80    87    88   0.15000  1.0 3.0
   70    80    87    98   0.62750  1.0 1.0
   70    80    87    98  -0.30950 -1.0 2.0
   70    80    87    98   0.27300  1.0 3.0
   70    80    89    90   0.15000  1.0 3.0
   70    80    89    91   0.15000  1.0 3.0
   70    80    89    92   0.15000  1.0 3.0
   80    70    82    83  -0.11600  1.0 1.0
   80    70    82    83  -0.09450 -1.0 2.0
   80    70    82    83   0.21250  1.0 3.0
   80    87    98   103  -0.25900  1.0 1.0
   80    87    98   103  -0.47000 -1.0 2.0
   80    87    98   103   0.11750  1.0 3.0
   81    80    87    52   0.15000  1.0 3.0
   81    80    87    88   0.15000  1.0 3.0
   81    80    87    98   0.23400  1.0 3.0
   81    80    89    90   0.15000  1.0 3.0
   81    80    89    91   0.15000  1.0 3.0
   81    80    89    92   0.15000  1.0 3.0
   87    52    56    57   0.15000  1.0 3.0
   87    52   -56    61   0.56750  1.0 1.0
   87    52   -56    61  -0.07550 -1.0 2.0
   87    52   -56    61   0.20000  1.0 3.0
   87    52   -56    63   0.07850  1.0 1.0
   87    52   -56    63  -0.03950 -1.0 2.0
   87    52   -56    63   0.67350  1.0 3.0
   87    52   -63    56   0.07850  1.0 1.0
   87    52   -63    56  -0.03950 -1.0 2.0
   87    52   -63    56   0.67350  1.0 3.0
   87    52    63    71   0.56750  1.0 1.0
   87    52    63    71  -0.07550 -1.0 2.0
   87    52    63    71   0.20000  1.0 3.0
   87    52    63    75   0.56750  1.0 1.0
   87    52    63    75  -0.07550 -1.0 2.0
   87    52    63    75   0.20000  1.0 3.0
   87    80    89    90   0.15000  1.0 3.0
   87    80    89    91   0.15000  1.0 3.0
   87    80    89    92   0.15000  1.0 3.0
   87    98   103   104   3.00000 -1.0 2.0
   87    98   103   106   1.63150  1.0 1.0
   87    98   103   106   2.92000 -1.0 2.0
   88    87    98   103   0.08050  1.0 3.0
   98   103   106   107   0.00000  1.0 1.0
   98   103   106   108   0.00000  1.0 1.0
   98   103   106   109   0.00000  1.0 1.0
  104   103   106   107   0.00000  1.0 1.0
  104   103   106   108   0.00000  1.0 1.0
  104   103   106   109   0.00000  1.0 1.0
   89    80    87    52   0.47050  1.0 1.0
   89    80    87    52   0.03900 -1.0 2.0
   89    80    87    52   0.20100  1.0 3.0
   89    80    87    88   0.15000  1.0 3.0
   89    80    87    98   0.62750  1.0 1.0
   89    80    87    98  -0.30950 -1.0 2.0
   89    80    87    98   0.27300  1.0 3.0
   82    70    80    81   0.23400  1.0 3.0
   82    70    80    87   0.86500  1.0 1.0
   82    70    80    87  -0.17500 -1.0 2.0
   82    70    80    87   0.20800  1.0 3.0
   82    70    80    89   0.86500  1.0 1.0
   82    70    80    89  -0.17500 -1.0 2.0
   82    70    80    89   0.20800  1.0 3.0
  112   105   110   111   7.00000 -1.0 2.0
  112   105   110   116   7.00000 -1.0 2.0
   93    79    84    85   0.34800  1.0 3.0
   93    79    84    86   0.34800  1.0 3.0
   93    79    84    96   0.46850  1.0 1.0
   93    79    84    96   0.08550 -1.0 2.0
   93    79    84    96   0.09800  1.0 3.0
   94    93    99   100   0.19450  1.0 3.0
   95    93    99   100   0.19450  1.0 3.0
   63    52   -56    57   0.15000  1.0 3.0
   63    52   -56    61   0.07850  1.0 1.0
   63    52   -56    61  -0.03950 -1.0 2.0
   63    52   -56    61   0.67350  1.0 3.0
   63    52    87    80   0.07850  1.0 1.0
   63    52    87    80  -0.03950 -1.0 2.0
   63    52    87    80   0.67350  1.0 3.0
   63    52    87    88   0.15000  1.0 3.0
   63    52    87    98  -0.26800  1.0 1.0
   63    52    87    98   0.69150 -1.0 2.0
   63    52    87    98  -0.48750  1.0 3.0
   63    56    61    62   0.15000  1.0 3.0
   63    56    61    68   0.34400  1.0 1.0
   63    56    61    68   0.09450 -1.0 2.0
   63    56    61    68   0.11100  1.0 3.0
   63    56    61    70   0.07850  1.0 1.0
   63    56    61    70  -0.03950 -1.0 2.0
   63    56    61    70   0.67350  1.0 3.0
   71    63    75    76   0.15000  1.0 3.0
   71    63    75    77   0.15000  1.0 3.0
   71    63    75    78   0.15000  1.0 3.0
   75    63    71    72   0.15000  1.0 3.0
   75    63    71    73   0.15000  1.0 3.0
   75    63    71    74   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
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   43    48    47    50  15.00000 -1.0 2.0
   53    51    50    47  15.00000 -1.0 2.0
   40    49    45    46  10.50000 -1.0 2.0
   61    69    68    79   1.10000 -1.0 2.0
   84    93    79    68   1.10000 -1.0 2.0
   96   105   101   102  10.50000 -1.0 2.0
  101   112   105   110   1.10000 -1.0 2.0
  116   111   110   105   1.10000 -1.0 2.0
   98   106   103   104  10.50000 -1.0 2.0
END
