* LIGAND DATABASE FILE (OPLS2005)
*
001     108   112    215    356     654
    1     0 S   NP   _N1_     1    28.98610    94.44281   -19.07482
    2     1 S   H    _HN1     2     1.02964   101.35356    32.04602
    3     1 S   H    _H1_     3     1.02840    37.02163   135.32869
    4     1 S   H    _H2_     4     1.02782    75.44988   -74.14638
    5     1 S   CT   _CA1     5     1.50102   141.78632   178.23021
    6     5 S   HC   _HA1     6     1.09562   105.30652    33.19920
    7     5 S   CO3  _C1_     7     1.53844   112.37090   -87.23116
    8     7 S   O2Z  _O11     8     1.26365   115.02816   -43.38130
    9     7 S   O2Z  _O12     9     1.26233   114.97444   136.03403
   10     5 S   CT   _CB1    10     1.53095   107.45313   151.31139
   11    10 S   HC   HB11    11     1.09818   109.57836   -49.16004
   12    10 S   HC   HB12    12     1.09831   110.28591    67.42439
   13    10 S   CT   _CG1    13     1.53019   112.64709  -170.24438
   14    13 S   HC   HG11    14     1.09539   110.39545   -57.98317
   15    13 S   HC   HG12    15     1.09615   110.19709    61.17271
   16    13 S   C    _CD1    16     1.51759   112.03541  -178.57495
   17    16 S   O    _OE1    17     1.22728   123.13846   -14.01043
   18    16 S   N    _N2_    18     1.38586   111.73278   166.43808
   19    18 S   H    _HN2    19     1.01587   119.04734     2.17565
   20    18 S   CT1  _CA2    20     1.46255   123.38212  -176.30149
   21    20 S   HC   _HA2    21     1.09730   109.38798   -16.76149
   22    20 S   C    _C2_    22     1.53352   108.27290  -132.61402
   23    22 S   O    _O2_    23     1.23001   122.28814  -145.06114
   24    20 S   CT   _CB2    32     1.53593   111.11204   105.35409
   25    24 S   HC   HB21    33     1.09282   109.22245    56.39781
   26    24 S   HC   HB22    34     1.09520   110.44600   174.18361
   27    22 S   N    _N3_    24     1.38521   113.28142    42.24962
   28    27 S   H    _HN3    25     1.01534   118.91715    -0.43566
   29    24 S   S    _SG2    35     1.83154   111.27710   -67.28851
   30    27 S   CT   _CA3    26     1.45448   123.38776   175.07682
   31    30 S   HC   HA31    27     1.09527   109.15813    25.71433
   32    30 S   HC   HA32    28     1.09493   107.13574   142.71934
   33    29 S   CT   _C23    36     1.92718   103.23042   141.44143
   34    30 S   CO3  _C3_    29     1.52938   113.19427   -97.69973
   35    34 S   O2Z  _O31    30     1.26396   115.44673   -43.09799
   36    34 S   O2Z  _O32    31     1.26361   114.94914   137.83900
   37    33 S   CT   _C28    37     1.56904   105.68079   -68.70027
   38    37 S   HC   _H9_    38     1.09365   110.08544    46.22460
   39    33 S   CT   _C22    95     1.55614   107.69150    53.41866
   40    39 S   HC   _H8_    96     1.09406   110.49126   -59.87736
   41    37 S   CM   _C27    39     1.50563   113.46456   -74.19242
   42    41 S   HC   _H29    40     1.08757   116.89096   166.97484
   43    39 S   OH   _O37    97     1.42818   111.55805  -176.42938
   44    43 S   HO   _H34    98     0.97225   107.86532   175.78211
   45    37 S   OH   _O36   107     1.42524   112.58035   162.62089
   46    45 S   HO   _H30   108     0.97238   108.16064   179.53145
   47    41 S   CM   _C26    41     1.33727   124.86399   -11.26311
   48    47 S   HC   _H28    42     1.08374   121.69864   176.99958
   49    47 S   CO4  _C25    43     1.48866   120.43301    -2.79687
   50    49 S   O    _O35    44     1.22865   117.96238   165.02641
   51    33 S   CT   _C24    45     1.60152   107.79921   173.00022
   52    51 S   CT   _C19    46     1.58475   110.38988   -64.42870
   53    52 S   HC   _H6_    47     1.09868   107.33327    66.12994
   54    51 S   CT   _C29   103     1.55363   114.33930   172.40100
   55    54 S   HC   _H31   104     1.09200   112.87852    72.15715
   56    54 S   HC   _H32   105     1.09210   113.31228   -50.41599
   57    54 S   HC   _H33   106     1.09675   110.84865  -167.67529
   58    52 S   CT   _C18    48     1.55699   115.13592  -177.59157
   59    58 S   HC   _H24    49     1.09426   110.51085    59.33102
   60    58 S   HC   _H25    50     1.09283   110.89010   -57.90785
   61    58 S   CT   _C17    51     1.54163   113.29176  -178.44015
   62    61 S   HC   _H22    52     1.09758   108.64066    66.32505
   63    61 S   HC   _H23    53     1.09370   108.04167  -178.60914
   64    61 S   CT   _C16    54     1.53990   112.23791   -55.67710
   65    64 S   CT   _C15    55     1.55210   106.48774    55.34934
   66    65 S   HC   _H5_    56     1.10347   108.16879    56.95068
   67    64 S   CT   _C30    99     1.54703   109.71819   -67.82944
   68    67 S   HC   _H35   100     1.09424   112.52350  -177.58759
   69    67 S   HC   _H36   101     1.09285   112.91224    61.85951
   70    67 S   HC   _H37   102     1.09492   110.85630   -57.11189
   71    65 S   CT   _C14    57     1.52125   103.71156   168.81701
   72    71 S   HC   _H20    58     1.09482   112.14261  -156.06307
   73    71 S   HC   _H21    59     1.09567   111.58698    83.14855
   74    52 S   CT   _C20    90     1.56533   112.28678   -51.80191
   75    74 S   HC   _H7_    91     1.09507   109.04387   -66.11035
   76    71 S   CT   _C13    60     1.53513   103.87985   -35.95219
   77    76 S   HC   _H18    61     1.09528   109.30520   131.12962
   78    76 S   HC   _H19    62     1.09589   110.48035  -111.05110
   79    74 S   CT   _C21    92     1.53487   112.71424    52.17028
   80    79 S   HC   _H26    93     1.09536   110.09036    70.89807
   81    79 S   HC   _H27    94     1.09755   108.62738  -173.28908
   82    64 S   CT   _C12    63     1.56668   115.75668   164.28855
   83    82 S   HC   _H4_    64     1.09972   105.78283   -42.85243
   84    82 S   CT   _C10    65     1.56155   121.42730    78.49543
   85    84 S   CT   _C8_    66     1.56406   111.77431   179.24101
   86    85 S   HC   _H3_    67     1.09852   108.61353   -63.36254
   87    84 S   CT   _C11    84     1.53535   111.90309   -55.25134
   88    87 S   HC   _H15    85     1.09557   111.63790  -171.81648
   89    87 S   HC   _H16    86     1.09405   111.89807   -50.65584
   90    87 S   HC   _H17    87     1.09364   111.24826    71.59053
   91    84 S   OH   _O38    88     1.43611   108.93243    62.55958
   92    91 S   HO   _H38    89     0.97350   107.53259   176.27248
   93    85 S   CT   _C9_    68     1.52370   115.00824    60.95471
   94    93 S   HC   _H13    69     1.09571   111.84321    54.72357
   95    93 S   HC   _H14    70     1.09488   109.72045   -65.17058
   96    93 S   CM   _C5_    71     1.50622   109.53520   174.56321
   97    96 S   CM   _C6_    72     1.34799   120.66068   -28.71389
   98    96 S   CT   _C4_    80     1.50404   114.30761   151.91948
   99    98 S   HC   _H10    81     1.09472   110.13253   -70.73463
  100    98 S   HC   _H11    82     1.09220   113.54086   167.73010
  101    98 S   HC   _H12    83     1.09569   109.95060    48.53625
  102    97 S   CO4  _C7_    73     1.49106   119.38048    -5.27106
  103   102 S   O    _O33    74     1.22683   121.49418  -164.60151
  104    97 S   CT   _C31    76     1.50175   125.70220   177.47431
  105   104 S   HC   _H39    77     1.09468   110.31978   102.41804
  106   104 S   HC   _H40    78     1.09276   113.04604   -19.18037
  107   104 S   HC   _H41    79     1.09587   110.47866  -137.80217
  108    85 S   OS   _O34    75     1.44916   108.14867  -177.36507
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  25   2   1   1  15   7  15   7   8   4   6   1   3   1   6   3
  10   3  14  20   9   5   2   1   1  12   6   5  15   5   4  21
  19   9   9   3   2   1  11   6   5   6   3   8   4   3   2   1
   1  12   4  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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    51    52    79    39    40    43    54    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    47    49    50    51    52    53    58    74    79    80    81    39    40    43    44    54    55    56    57    45    46  
   35    36  
   36  
    0  
   38    41    42    47    48    49    51    52    79    39    40    43    54    45    46  
   41    42    47    51    39    45    46  
   40    43    44    54    45    41    49    51    52    65    74    75    79    80    81  
   43    44    51    74    79    80    81  
   42    47    48    49    50    51    45    46  
   47    48    49    45  
   44    51    74    79    80    81  
   79  
   46    47    51  
    0  
   48    49    50    51    52    54  
   49    50    51  
   50    51    52    53    58    74    54    55    56    57  
   51    52    54  
   52    53    58    59    60    61    65    74    75    79    54    55    56    57  
   53    58    59    60    61    62    63    64    65    66    71    74    75    79    80    81    54    55    56    57  
   58    59    60    61    65    74    75    79    54  
   55    56    57    58    74  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    82    74    75    79    67  
   60    61    62    63    64    74  
   61    62    63    64    74  
   62    63    64    65    66    71    76    82    83    84    74    67    68    69    70  
   63    64    65    82    67  
   64    65    82    67  
   65    66    71    72    73    76    77    78    82    83    84    85    87    91    74    75    79    67    68    69    70  
   66    71    72    73    76    77    78    82    83    84    74    75    79    80    81    67    68    69    70  
   71    72    73    76    82    74    75    79    67  
   68    69    70    71    74    76    82    83    84  
   69    70    82  
   70    82  
   82  
   72    73    76    77    78    82    83    84    74    75    79  
   73    76    77    78    82    74  
   76    77    78    82    74  
   75    79    80    81    76    82  
   79    80    81  
   77    78    82    83    84    85    87    91  
   78    82    83    84  
   82    83    84  
   80    81  
   81  
    0  
   83    84    85    86    93   108    87    88    89    90    91    92  
   84    85    87    91  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   317.000  1.510
   37    45   320.000  1.410
   41    42   340.000  1.080
   41    47   549.000  1.340
   47    48   340.000  1.080
   47    49   320.000  1.462
   49    50   570.000  1.229
   49    51   317.000  1.522
   51    52   268.000  1.529
   51    54   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    74   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   268.000  1.529
   64    82   268.000  1.529
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    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
   74    75   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    39   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    70.00000  112.02700
   33    37    45    50.00000  109.50000
   33    51    49    63.00000  111.10000
   33    51    52    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    39    79    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   37    41    42    35.00000  117.00000
   37    41    47    70.00000  124.00000
   37    45    46    55.00000  108.50000
   41    37    38    35.00000  109.50000
   41    47    48    35.00000  120.00000
   41    47    49    65.00000  118.96000
   47    41    42    35.00000  120.00000
   47    49    50    80.00000  123.72100
   47    49    51    65.00000  118.62400
   49    47    48    40.00000  117.72500
   49    51    52    63.00000  111.10000
   49    51    54    63.00000  111.10000
   51    33    37    58.35000  112.70000
   51    49    50    80.00000  120.40000
   51    52    53    37.50000  110.70000
   51    52    58    58.35000  112.70000
   51    52    74    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    58.35000  112.70000
   52    74    65    58.35000  112.70000
   52    74    75    37.50000  110.70000
   52    74    79    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    58.35000  112.70000
   61    64    82    58.35000  112.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    65    66    37.50000  110.70000
   64    65    71    58.35000  112.70000
   64    65    74    58.35000  112.70000
   64    82    76    58.35000  112.70000
   64    82    83    37.50000  110.70000
   64    82    84    58.35000  112.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    76    58.35000  112.70000
   65    74    75    37.50000  110.70000
   65    74    79    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    82    58.35000  112.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    64    65    58.35000  112.70000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    84    85    58.35000  112.70000
   82    84    87    58.35000  112.70000
   82    84    91    50.00000  109.50000
   84    82    83    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
   74    52    53    37.50000  110.70000
   74    52    58    58.35000  112.70000
   74    65    66    37.50000  110.70000
   74    65    71    58.35000  112.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    39    58.35000  112.70000
   79    74    75    37.50000  110.70000
   79    39    40    37.50000  110.70000
   79    39    43    50.00000  109.50000
   81    79    80    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    51    58.35000  112.70000
   39    79    80    37.50000  110.70000
   39    79    81    37.50000  110.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   67    64    65    58.35000  112.70000
   67    64    82    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    51    52    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
   45    37    38    35.00000  109.50000
   45    37    41    90.00000  110.39200
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
   16    18    20    24   0.25950  1.0 1.0
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   84    85   108   102  -0.25900  1.0 1.0
   84    85   108   102  -0.47000 -1.0 2.0
   84    85   108   102   0.11750  1.0 3.0
   85    84    87    88   0.15000  1.0 3.0
   85    84    87    89   0.15000  1.0 3.0
   85    84    87    90   0.15000  1.0 3.0
   85    84    91    92  -0.11600  1.0 1.0
   85    84    91    92  -0.09450 -1.0 2.0
   85    84    91    92   0.21250  1.0 3.0
   85    93    96    97   0.09850  1.0 1.0
   85    93    96    97   0.15250 -1.0 2.0
   85    93    96    97  -0.50650  1.0 3.0
   85    93    96    98   0.46850  1.0 1.0
   85    93    96    98   0.08550 -1.0 2.0
   85    93    96    98   0.09800  1.0 3.0
   86    85    93    94   0.15000  1.0 3.0
   86    85    93    95   0.15000  1.0 3.0
   86    85    93    96   0.15000  1.0 3.0
   86    85   108   102   0.08050  1.0 3.0
   93    85   108   102  -0.25900  1.0 1.0
   93    85   108   102  -0.47000 -1.0 2.0
   93    85   108   102   0.11750  1.0 3.0
   93    96   -97   102   7.00000 -1.0 2.0
   93    96    97   104   7.00000 -1.0 2.0
   93    96    98    99   0.34800  1.0 3.0
   93    96    98   100   0.34800  1.0 3.0
   93    96    98   101   0.34800  1.0 3.0
   94    93    96    97   0.00000  1.0 1.0
   94    93    96    98   0.34800  1.0 3.0
   95    93    96    97   0.00000  1.0 1.0
   95    93    96    98   0.34800  1.0 3.0
   96    97   102   103   1.00000 -1.0 2.0
   96    97   102   108  -0.56150  1.0 1.0
   96    97   102   108   2.19150 -1.0 2.0
   96    97   104   105   0.00000  1.0 1.0
   96    97   104   106   0.00000  1.0 1.0
   96    97   104   107   0.00000  1.0 1.0
   97    96    98    99   0.00000  1.0 1.0
   97    96    98   100   0.00000  1.0 1.0
   97    96    98   101   0.00000  1.0 1.0
   97   102  -108    85   2.00000 -1.0 2.0
  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
   74    52    58    59   0.15000  1.0 3.0
   74    52    58    60   0.15000  1.0 3.0
   74    52   -58    61   0.56750  1.0 1.0
   74    52   -58    61  -0.07550 -1.0 2.0
   74    52   -58    61   0.20000  1.0 3.0
   74    65    71    72   0.15000  1.0 3.0
   74    65    71    73   0.15000  1.0 3.0
   74    65    71    76   0.56750  1.0 1.0
   74    65    71    76  -0.07550 -1.0 2.0
   74    65    71    76   0.20000  1.0 3.0
   74    79   -39    33   0.56750  1.0 1.0
   74    79   -39    33  -0.07550 -1.0 2.0
   74    79   -39    33   0.20000  1.0 3.0
   74    79    39    40   0.15000  1.0 3.0
   74    79    39    43   0.86500  1.0 1.0
   74    79    39    43  -0.17500 -1.0 2.0
   74    79    39    43   0.20800  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    39   0.15000  1.0 3.0
   79    39    43    44  -0.11600  1.0 1.0
   79    39    43    44  -0.09450 -1.0 2.0
   79    39    43    44   0.21250  1.0 3.0
   80    79    39    33   0.15000  1.0 3.0
   80    79    39    40   0.15000  1.0 3.0
   80    79    39    43   0.23400  1.0 3.0
   81    79    39    33   0.15000  1.0 3.0
   81    79    39    40   0.15000  1.0 3.0
   81    79    39    43   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41   0.34400  1.0 1.0
   39    33    37    41   0.09450 -1.0 2.0
   39    33    37    41   0.11100  1.0 3.0
   39    33    37    45   0.86500  1.0 1.0
   39    33    37    45  -0.17500 -1.0 2.0
   39    33    37    45   0.20800  1.0 3.0
   39    33    51    49  -0.95700  1.0 1.0
   39    33    51    49  -0.18200 -1.0 2.0
   39    33    51    49   0.29450  1.0 3.0
   39    33   -51    52   0.56750  1.0 1.0
   39    33   -51    52  -0.07550 -1.0 2.0
   39    33   -51    52   0.20000  1.0 3.0
   39    33    51    54   0.56750  1.0 1.0
   39    33    51    54  -0.07550 -1.0 2.0
   39    33    51    54   0.20000  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.56750  1.0 1.0
   67    64    65    71  -0.07550 -1.0 2.0
   67    64    65    71   0.20000  1.0 3.0
   67    64    65    74   0.56750  1.0 1.0
   67    64    65    74  -0.07550 -1.0 2.0
   67    64    65    74   0.20000  1.0 3.0
   67    64    82    76   0.56750  1.0 1.0
   67    64    82    76  -0.07550 -1.0 2.0
   67    64    82    76   0.20000  1.0 3.0
   67    64    82    83   0.15000  1.0 3.0
   67    64    82    84   0.56750  1.0 1.0
   67    64    82    84  -0.07550 -1.0 2.0
   67    64    82    84   0.20000  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    74   0.56750  1.0 1.0
   54    51    52    74  -0.07550 -1.0 2.0
   54    51    52    74   0.20000  1.0 3.0
   45    37    41    42   0.00000  1.0 1.0
   45    37    41    47   0.67800  1.0 1.0
   45    37    41    47   0.47050 -1.0 2.0
   45    37    41    47  -0.62500  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
   35    30    34    36  10.50000 -1.0 2.0
   37    42    41    47   1.10000 -1.0 2.0
   49    48    47    41   1.10000 -1.0 2.0
   47    51    49    50  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
END
