* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    219    358     667
    1     0 S   NP   _N1_     1    28.70775    94.15722   -19.97059
    2     1 S   H    _HN1     2     1.02779    80.71379   -92.44202
    3     1 S   H    _H1_     3     1.02958    97.54022    14.97906
    4     1 S   H    _H2_     4     1.02839    33.96585   124.48965
    5     1 S   CT   _CA1     5     1.50111   142.16603   153.10204
    6     5 S   HC   _HA1     6     1.09571   105.27579    42.73230
    7     5 S   CO3  _C1_     7     1.53807   112.19706   -77.57640
    8     7 S   O2Z  _O11     8     1.26367   115.02875   -47.68461
    9     7 S   O2Z  _O12     9     1.26213   114.88839   131.41046
   10     5 S   CT   _CB1    10     1.53070   107.42761   160.66389
   11    10 S   HC   HB11    11     1.09826   109.48974   -50.16498
   12    10 S   HC   HB12    12     1.09825   110.35164    66.39356
   13    10 S   CT   _CG1    13     1.53027   112.66094  -171.23193
   14    13 S   HC   HG11    14     1.09614   110.42244   -60.59485
   15    13 S   HC   HG12    15     1.09628   110.09991    58.69605
   16    13 S   C    _CD1    16     1.51800   112.09471   179.14385
   17    16 S   O    _OE1    17     1.22741   123.22268    -4.70715
   18    16 S   N    _N2_    18     1.38610   111.72930   175.04477
   19    18 S   H    _HN2    19     1.01604   119.10444     2.32322
   20    18 S   CT1  _CA2    20     1.46314   123.27973  -176.00806
   21    20 S   HC   _HA2    21     1.09735   109.39304   -11.56025
   22    20 S   C    _C2_    22     1.53373   108.70107  -127.45596
   23    22 S   O    _O2_    23     1.23024   122.16443  -147.15586
   24    20 S   CT   _CB2    32     1.53773   111.15655   110.23969
   25    24 S   HC   HB21    33     1.09252   108.30721    56.73816
   26    24 S   HC   HB22    34     1.09203   110.07824   175.22907
   27    22 S   N    _N3_    24     1.38482   113.41596    40.35892
   28    27 S   H    _HN3    25     1.01524   118.90171    -0.80308
   29    24 S   S    _SG2    35     1.82890   110.75727   -63.68147
   30    27 S   CT   _CA3    26     1.45447   123.45312   174.93341
   31    30 S   HC   HA31    27     1.09523   109.23347    24.46679
   32    30 S   HC   HA32    28     1.09495   107.12585   141.48094
   33    29 S   CT   _C20    36     1.90613   104.93371  -179.52399
   34    30 S   CO3  _C3_    29     1.52930   113.11093   -98.99867
   35    34 S   O2Z  _O31    30     1.26404   115.41303   -44.17835
   36    34 S   O2Z  _O32    31     1.26356   114.98115   136.74877
   37    33 S   CT   _C8_    37     1.53519   110.62728   -33.10343
   38    37 S   HC   _H37    38     1.08630   112.56847   174.26721
   39    37 S   HC   _H38    39     1.09325   112.93429    55.90702
   40    33 S   CT   _C15    56     1.60266   107.36948  -153.10751
   41    40 S   HC   _H50    57     1.10058   107.79857   -43.37111
   42    37 S   CO4  _C5_    40     1.51156   112.35436   -68.82958
   43    42 S   O    _O29    41     1.22938   121.20797   123.46668
   44    40 S   CT   _C10    58     1.56728   111.05192  -157.31703
   45    44 S   HC   _H41    59     1.09489   109.46695   -77.79039
   46    44 S   HC   _H42    60     1.09626   109.09394   166.52493
   47    42 S   CT   _C14    42     1.52550   115.55626   -59.74443
   48    47 S   HC   _H49    43     1.09875   104.98194   -58.80085
   49    44 S   CT   _C12    61     1.53627   117.32650    47.31893
   50    49 S   HC   _H45    62     1.09698   108.91536    69.00341
   51    49 S   HC   _H46    63     1.09368   107.57273  -176.94175
   52    47 S   CT   _C7_    44     1.53432   111.33658  -173.41051
   53    52 S   HC   _H35    45     1.09569   110.49639   162.47892
   54    52 S   HC   _H36    46     1.09633   110.66579    44.23064
   55    49 S   CT   _C18    64     1.53340   112.23010   -54.33763
   56    52 S   CO4  _C4_    47     1.51303   112.73718   -77.44100
   57    56 S   O    _O28    48     1.23119   121.05884   140.51566
   58    55 S   CT   _C16    65     1.57443   115.39930   165.24260
   59    58 S   HC   _H51    66     1.10005   108.07314   -41.99048
   60    55 S   CT   _C22   102     1.54754   109.61043   -71.47633
   61    60 S   HC   _H55   103     1.09355   112.69977   165.82030
   62    60 S   HC   _H56   104     1.09008   113.20957    42.76479
   63    60 S   HC   _H57   105     1.09364   111.54305   -73.78431
   64    56 S   CT   _C6_    49     1.50901   117.42110   -45.49510
   65    64 S   HC   _H33    50     1.09586   108.40673   166.21502
   66    64 S   HC   _H34    51     1.09309   108.99965   -77.41579
   67    58 S   CT   _C11    67     1.55509   102.08101  -155.16605
   68    67 S   HC   _H43    68     1.09617   111.80976   -98.93947
   69    67 S   HC   _H44    69     1.09601   110.32667   141.44758
   70    58 S   CT   _C29    76     1.56118   121.14645    79.86983
   71    70 S   HC   _H73    77     1.09701   109.00870    62.79985
   72    64 S   CT   _C9_    52     1.52714   110.57942    46.74143
   73    72 S   HC   _H39    53     1.08836   104.56894    69.54962
   74    72 S   HC   _H40    54     1.09669   109.28465  -176.15743
   75    67 S   CT   _C13    70     1.53931   107.65101    21.12067
   76    75 S   HC   _H47    71     1.09479   108.85957   129.49572
   77    75 S   HC   _H48    72     1.09431   109.68658  -112.29164
   78    70 S   CT   _C23    78     1.53229   112.09121   -56.93430
   79    78 S   HC   _H58    79     1.09487   111.22905   -54.98125
   80    78 S   HC   _H59    80     1.09318   111.98515  -175.93037
   81    78 S   HC   _H60    81     1.09123   111.49605    66.39261
   82    70 S   CT   _C27    82     1.55444   110.09194   180.00000
   83    82 S   HC   _H69    83     1.09551   109.43711   -52.45784
   84    82 S   HC   _H70    84     1.09753   109.55677    64.09738
   85    47 S   CT   _C17    55     1.55063   110.13314    58.91562
   86    33 S   CT   _C19    73     1.57678   105.07954    91.07563
   87    82 S   CT   _C26    85     1.53583   114.21929  -172.90732
   88    87 S   HC   _H67    86     1.09508   109.06495    50.89699
   89    87 S   HC   _H68    87     1.09324   109.76770   -67.01770
   90    86 S   OH   _O30    74     1.46127   105.88687    51.56177
   91    90 S   HO   _H74    75     0.97349   107.16287   -55.65764
   92    87 S   CT   _C28    88     1.53316   110.94062   172.26376
   93    92 S   HC   _H71    89     1.09883   109.22444   -57.56539
   94    92 S   HC   _H72    90     1.09884   109.16200    56.55448
   95    85 S   CT   _C21   106     1.55818   108.94783  -170.15833
   96    95 S   HC   _H52   107     1.09503   111.89180    53.97326
   97    95 S   HC   _H53   108     1.09285   113.28750   -64.57988
   98    95 S   HC   _H54   109     1.09588   110.70754   175.34491
   99    92 S   CT   _C30    91     1.54167   115.60187   179.55677
  100    99 S   CT   _C24    92     1.53015   112.21248    62.31705
  101   100 S   HC   _H61    93     1.09585   110.76429    54.47024
  102   100 S   HC   _H62    94     1.09627   110.81801   172.21500
  103   100 S   HC   _H63    95     1.09407   112.15623   -67.05902
  104    99 S   CT   _C25    96     1.53020   112.25467   -62.94343
  105   104 S   HC   _H64    97     1.09585   110.76367   -54.35563
  106   104 S   HC   _H65    98     1.09404   112.18107    67.19066
  107   104 S   HC   _H66    99     1.09629   110.81236  -172.09222
  108    99 S   OH   _O33   100     1.43437   106.20862   179.69226
  109   108 S   HO   _H75   101     0.97249   108.07937  -179.94405
  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   6   5  24   9  11   4  13   6   5  15   7
  15   5   4  10   5   4  19   8   4  23  10   8   3   2   1   7
   5   4  11   6   5  14   8   7   3   2   5   3   2   7   3   2
   1   9   5   4   5   2   9   5   4   1   1  13   5   4   3   2
   1   1  10   9   4   3   2   5   3   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    40    86    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    85    40    41    44    55    75    86    90  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    47    72    85    40    41    44    45    46    49    55    58    67    75    76    77    86    90    91    60    95  
   35    36  
   36  
    0  
   38    39    42    43    47    48    52    85    40    41    44    55    75    86    90  
   39    42    43    47    40    86  
   42    43    47    40    86  
   41    44    45    46    49    50    51    55    75    86    90    95    96    97    98    42    47    48    52    64    72    73    74    85  
   44    45    46    49    86    95    47    72    85  
   43    47    48    52    53    54    56    72    85    86    95  
   47    48    52    85  
   45    46    49    50    51    55    58    86    60    95    47    72    85  
   46    49    50    51    55    85  
   49    50    51    55    85  
   48    52    53    54    56    57    64    72    73    74    85    95    96    97    98  
   52    53    54    56    72    85    95  
   50    51    55    58    59    67    75    86    90    70    60    61    62    63    85  
   51    55    58    86    60  
   55    58    86    60  
   53    54    56    57    64    65    66    72    85    95  
   54    56    57    64    85  
   56    57    64    85  
   58    59    67    68    69    75    76    77    86    90    91    70    71    78    82    60    61    62    63  
   57    64    65    66    72    73    74    85  
   64    65    66    72  
   59    67    68    69    75    76    77    86    90    70    71    78    79    80    81    82    83    84    87    60    61    62    63  
   67    68    69    75    86    70    71    78    82    60  
   61    62    63    67    70    75    86    90  
   62    63    86  
   63    86  
   86  
   65    66    72    73    74    85    95  
   66    72    73    74    85  
   72    73    74    85  
   68    69    75    76    77    86    90    70    71    78    82  
   69    75    76    77    86    70  
   75    76    77    86    70  
   71    78    79    80    81    82    83    84    87    88    89    92    75    86  
   78    79    80    81    82    83    84    87  
   73    74    85    95    96    97    98  
   74    85    95  
   85    95  
   76    77    86    90    91  
   77    86    90  
   86    90  
   79    80    81    82    83    84    87  
   80    81    82  
   81    82  
   82  
   83    84    87    88    89    92    93    94    99  
   84    87    88    89    92  
   87    88    89    92  
   86    95    96    97    98  
   90    91  
   88    89    92    93    94    99   100   104   108  
   89    92    93    94    99  
   92    93    94    99  
   91  
    0  
   93    94    99   100   101   102   103   104   105   106   107   108   109  
   94    99   100   104   108  
   99   100   104   108  
   96    97    98  
   97    98  
   98  
    0  
  100   101   102   103   104   105   106   107   108   109  
  101   102   103   104   105   106   107   108   109  
  102   103   104   108  
  103   104   108  
  104   108  
  105   106   107   108   109  
  106   107   108  
  107   108  
  108  
  109  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  109   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    40   268.000  1.529
   33    86   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    85   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   317.000  1.522
   56    57   570.000  1.229
   56    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    85   268.000  1.529
   85    40   268.000  1.529
   85    95   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    58   268.000  1.529
   55    86   268.000  1.529
   55    60   268.000  1.529
   58    59   340.000  1.090
   58    67   268.000  1.529
   58    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    86   268.000  1.529
   86    90   320.000  1.410
   90    91   553.000  0.945
   70    71   340.000  1.090
   70    78   268.000  1.529
   70    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    99   268.000  1.529
   99   100   268.000  1.529
   99   104   268.000  1.529
   99   108   320.000  1.410
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   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    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    40    75.00000  111.63000
   29    33    86    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    40    85    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    86    55    58.35000  112.70000
   33    86    75    58.35000  112.70000
   33    86    90    50.00000  109.50000
   37    42    43    80.00000  120.40000
   37    42    47    70.00000  116.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    52    63.00000  111.10000
   42    47    85    63.00000  111.10000
   47    42    43    80.00000  120.40000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    56    63.00000  111.10000
   47    85    72    58.35000  112.70000
   47    85    40    58.35000  112.70000
   47    85    95    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    56    57    80.00000  120.40000
   52    56    64    70.00000  116.00000
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    64    65    35.00000  109.50000
   56    64    66    35.00000  109.50000
   56    64    72    63.00000  111.10000
   64    56    57    80.00000  120.40000
   64    72    73    37.50000  110.70000
   64    72    74    37.50000  110.70000
   64    72    85    58.35000  112.70000
   66    64    65    33.00000  107.80000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    85    40    58.35000  112.70000
   72    85    95    58.35000  112.70000
   74    72    73    33.00000  107.80000
   85    47    48    37.50000  110.70000
   85    47    52    58.35000  112.70000
   85    72    73    37.50000  110.70000
   85    72    74    37.50000  110.70000
   85    40    41    37.50000  110.70000
   85    40    44    58.35000  112.70000
   85    95    96    37.50000  110.70000
   85    95    97    37.50000  110.70000
   85    95    98    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    49    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    55    58.35000  112.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    55    58    58.35000  112.70000
   49    55    86    58.35000  112.70000
   49    55    60    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    67    58.35000  112.70000
   55    58    70    58.35000  112.70000
   55    86    75    58.35000  112.70000
   55    86    90    50.00000  109.50000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    75    58.35000  112.70000
   58    70    71    37.50000  110.70000
   58    70    78    58.35000  112.70000
   58    70    82    58.35000  112.70000
   67    58    59    37.50000  110.70000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    86    58.35000  112.70000
   69    67    68    33.00000  107.80000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    86    90    50.00000  109.50000
   77    75    76    33.00000  107.80000
   86    33    37    58.35000  112.70000
   86    33    40    58.35000  112.70000
   86    55    58    58.35000  112.70000
   86    75    76    37.50000  110.70000
   86    75    77    37.50000  110.70000
   86    90    91    55.00000  108.50000
   70    58    59    37.50000  110.70000
   70    58    67    58.35000  112.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    81    37.50000  110.70000
   70    82    83    37.50000  110.70000
   70    82    84    37.50000  110.70000
   70    82    87    58.35000  112.70000
   78    70    71    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    70    71    37.50000  110.70000
   82    70    78    58.35000  112.70000
   82    87    88    37.50000  110.70000
   82    87    89    37.50000  110.70000
   82    87    92    58.35000  112.70000
   84    82    83    33.00000  107.80000
   87    82    83    37.50000  110.70000
   87    82    84    37.50000  110.70000
   87    92    93    37.50000  110.70000
   87    92    94    37.50000  110.70000
   87    92    99    58.35000  112.70000
   89    87    88    33.00000  107.80000
   92    87    88    37.50000  110.70000
   92    87    89    37.50000  110.70000
   92    99   100    58.35000  112.70000
   92    99   104    58.35000  112.70000
   92    99   108    50.00000  109.50000
   94    92    93    33.00000  107.80000
   99    92    93    37.50000  110.70000
   99    92    94    37.50000  110.70000
   99   100   101    37.50000  110.70000
   99   100   102    37.50000  110.70000
   99   100   103    37.50000  110.70000
   99   104   105    37.50000  110.70000
   99   104   106    37.50000  110.70000
   99   104   107    37.50000  110.70000
   99   108   109    55.00000  108.50000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    99   100    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108    99   100    50.00000  109.50000
  108    99   104    50.00000  109.50000
   60    55    58    58.35000  112.70000
   60    55    86    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   95    85    40    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
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   69    67    75    76   0.15000  1.0 3.0
   69    67    75    77   0.15000  1.0 3.0
   69    67    75    86   0.15000  1.0 3.0
   75    86    90    91  -0.11600  1.0 1.0
   75    86    90    91  -0.09450 -1.0 2.0
   75    86    90    91   0.21250  1.0 3.0
   76    75    86    33   0.15000  1.0 3.0
   76    75    86    55   0.15000  1.0 3.0
   76    75    86    90   0.23400  1.0 3.0
   77    75    86    33   0.15000  1.0 3.0
   77    75    86    55   0.15000  1.0 3.0
   77    75    86    90   0.23400  1.0 3.0
   86    33    37    38   0.15000  1.0 3.0
   86    33    37    39   0.15000  1.0 3.0
   86    33    37    42  -0.95700  1.0 1.0
   86    33    37    42  -0.18200 -1.0 2.0
   86    33    37    42   0.29450  1.0 3.0
   86    33    40    85   0.56750  1.0 1.0
   86    33    40    85  -0.07550 -1.0 2.0
   86    33    40    85   0.20000  1.0 3.0
   86    33    40    41   0.15000  1.0 3.0
   86    33   -40    44   0.56750  1.0 1.0
   86    33   -40    44  -0.07550 -1.0 2.0
   86    33   -40    44   0.20000  1.0 3.0
   86    55    58    59   0.15000  1.0 3.0
   86    55   -58    67   0.56750  1.0 1.0
   86    55   -58    67  -0.07550 -1.0 2.0
   86    55   -58    67   0.20000  1.0 3.0
   86    55    58    70   0.56750  1.0 1.0
   86    55    58    70  -0.07550 -1.0 2.0
   86    55    58    70   0.20000  1.0 3.0
   86    55    60    61   0.15000  1.0 3.0
   86    55    60    62   0.15000  1.0 3.0
   86    55    60    63   0.15000  1.0 3.0
   70    58    67    68   0.15000  1.0 3.0
   70    58    67    69   0.15000  1.0 3.0
   70    58    67    75   0.56750  1.0 1.0
   70    58    67    75  -0.07550 -1.0 2.0
   70    58    67    75   0.20000  1.0 3.0
   70    82    87    88   0.15000  1.0 3.0
   70    82    87    89   0.15000  1.0 3.0
   70    82    87    92   0.56750  1.0 1.0
   70    82    87    92  -0.07550 -1.0 2.0
   70    82    87    92   0.20000  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    80   0.15000  1.0 3.0
   71    70    78    81   0.15000  1.0 3.0
   71    70    82    83   0.15000  1.0 3.0
   71    70    82    84   0.15000  1.0 3.0
   71    70    82    87   0.15000  1.0 3.0
   78    70    82    83   0.15000  1.0 3.0
   78    70    82    84   0.15000  1.0 3.0
   78    70    82    87   0.56750  1.0 1.0
   78    70    82    87  -0.07550 -1.0 2.0
   78    70    82    87   0.20000  1.0 3.0
   82    70    78    79   0.15000  1.0 3.0
   82    70    78    80   0.15000  1.0 3.0
   82    70    78    81   0.15000  1.0 3.0
   82    87    92    93   0.15000  1.0 3.0
   82    87    92    94   0.15000  1.0 3.0
   82    87    92    99   0.56750  1.0 1.0
   82    87    92    99  -0.07550 -1.0 2.0
   82    87    92    99   0.20000  1.0 3.0
   83    82    87    88   0.15000  1.0 3.0
   83    82    87    89   0.15000  1.0 3.0
   83    82    87    92   0.15000  1.0 3.0
   84    82    87    88   0.15000  1.0 3.0
   84    82    87    89   0.15000  1.0 3.0
   84    82    87    92   0.15000  1.0 3.0
   87    92    99   100   0.56750  1.0 1.0
   87    92    99   100  -0.07550 -1.0 2.0
   87    92    99   100   0.20000  1.0 3.0
   87    92    99   104   0.56750  1.0 1.0
   87    92    99   104  -0.07550 -1.0 2.0
   87    92    99   104   0.20000  1.0 3.0
   87    92    99   108   0.86500  1.0 1.0
   87    92    99   108  -0.17500 -1.0 2.0
   87    92    99   108   0.20800  1.0 3.0
   88    87    92    93   0.15000  1.0 3.0
   88    87    92    94   0.15000  1.0 3.0
   88    87    92    99   0.15000  1.0 3.0
   89    87    92    93   0.15000  1.0 3.0
   89    87    92    94   0.15000  1.0 3.0
   89    87    92    99   0.15000  1.0 3.0
   92    99   100   101   0.15000  1.0 3.0
   92    99   100   102   0.15000  1.0 3.0
   92    99   100   103   0.15000  1.0 3.0
   92    99   104   105   0.15000  1.0 3.0
   92    99   104   106   0.15000  1.0 3.0
   92    99   104   107   0.15000  1.0 3.0
   92    99   108   109  -0.11600  1.0 1.0
   92    99   108   109  -0.09450 -1.0 2.0
   92    99   108   109   0.21250  1.0 3.0
   93    92    99   100   0.15000  1.0 3.0
   93    92    99   104   0.15000  1.0 3.0
   93    92    99   108   0.23400  1.0 3.0
   94    92    99   100   0.15000  1.0 3.0
   94    92    99   104   0.15000  1.0 3.0
   94    92    99   108   0.23400  1.0 3.0
  100    99   104   105   0.15000  1.0 3.0
  100    99   104   106   0.15000  1.0 3.0
  100    99   104   107   0.15000  1.0 3.0
  100    99   108   109  -0.11600  1.0 1.0
  100    99   108   109  -0.09450 -1.0 2.0
  100    99   108   109   0.21250  1.0 3.0
  104    99   100   101   0.15000  1.0 3.0
  104    99   100   102   0.15000  1.0 3.0
  104    99   100   103   0.15000  1.0 3.0
  104    99   108   109  -0.11600  1.0 1.0
  104    99   108   109  -0.09450 -1.0 2.0
  104    99   108   109   0.21250  1.0 3.0
  108    99   100   101   0.23400  1.0 3.0
  108    99   100   102   0.23400  1.0 3.0
  108    99   100   103   0.23400  1.0 3.0
  108    99   104   105   0.23400  1.0 3.0
  108    99   104   106   0.23400  1.0 3.0
  108    99   104   107   0.23400  1.0 3.0
   60    55    58    59   0.15000  1.0 3.0
   60    55    58    67   0.56750  1.0 1.0
   60    55    58    67  -0.07550 -1.0 2.0
   60    55    58    67   0.20000  1.0 3.0
   60    55    58    70   0.56750  1.0 1.0
   60    55    58    70  -0.07550 -1.0 2.0
   60    55    58    70   0.20000  1.0 3.0
   60    55    86    33   0.56750  1.0 1.0
   60    55    86    33  -0.07550 -1.0 2.0
   60    55    86    33   0.20000  1.0 3.0
   60    55    86    75   0.56750  1.0 1.0
   60    55    86    75  -0.07550 -1.0 2.0
   60    55    86    75   0.20000  1.0 3.0
   60    55    86    90   0.86500  1.0 1.0
   60    55    86    90  -0.17500 -1.0 2.0
   60    55    86    90   0.20800  1.0 3.0
   95    85    40    33   0.56750  1.0 1.0
   95    85    40    33  -0.07550 -1.0 2.0
   95    85    40    33   0.20000  1.0 3.0
   95    85    40    41   0.15000  1.0 3.0
   95    85    40    44   0.56750  1.0 1.0
   95    85    40    44  -0.07550 -1.0 2.0
   95    85    40    44   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
   37    47    42    43  10.50000 -1.0 2.0
   52    64    56    57  10.50000 -1.0 2.0
END
