* LIGAND DATABASE FILE (OPLS2005)
*
001     111   113    211    320     622
    1     0 S   NP   _N1_     1    28.72077    93.65336   -19.15668
    2     1 S   H    _HN1     2     1.02965    99.01713    13.38672
    3     1 S   H    _H1_     3     1.02839    33.61113   120.63315
    4     1 S   H    _H2_     4     1.02782    80.13037   -93.81473
    5     1 S   CT   _CA1     5     1.50120   141.13017   152.79335
    6     5 S   HC   _HA1     6     1.09570   105.26952    40.69144
    7     5 S   CO3  _C1_     7     1.53792   112.38312   -79.56424
    8     7 S   O2Z  _O11     8     1.26332   115.01306   -42.65758
    9     7 S   O2Z  _O12     9     1.26224   114.91836   136.56718
   10     5 S   CT   _CB1    10     1.53084   107.42669   158.65448
   11    10 S   HC   HB11    11     1.09815   109.38525   -50.47077
   12    10 S   HC   HB12    12     1.09848   110.34745    66.05362
   13    10 S   CT   _CG1    13     1.53046   112.73141  -171.67822
   14    13 S   HC   HG11    14     1.09590   110.20872   -60.56779
   15    13 S   HC   HG12    15     1.09607   110.30862    58.68928
   16    13 S   C    _CD1    16     1.51764   111.97783   178.85534
   17    16 S   O    _OE1    17     1.22729   123.12838   -16.42410
   18    16 S   N    _N2_    18     1.38537   111.85885   164.20188
   19    18 S   H    _HN2    19     1.01575   119.05923     4.68249
   20    18 S   CT1  _CA2    20     1.46207   123.44872  -175.27403
   21    20 S   HC   _HA2    21     1.09652   109.25930     0.28046
   22    20 S   C    _C2_    22     1.53324   108.86551  -115.53515
   23    22 S   O    _O2_    23     1.23035   122.16060  -143.80901
   24    20 S   CT   _CB2    32     1.53441   111.01554   122.01247
   25    24 S   HC   HB21    33     1.09648   109.68060    58.71773
   26    24 S   HC   HB22    34     1.09490   111.43578   176.56145
   27    22 S   N    _N3_    24     1.38476   113.52306    43.58443
   28    27 S   H    _HN3    25     1.01492   119.05432    -0.21940
   29    24 S   S    _SG2    35     1.82875   112.74839   -60.18526
   30    27 S   CT   _CA3    26     1.45438   123.23724   175.02712
   31    30 S   HC   HA31    27     1.09537   109.00330    28.83780
   32    30 S   HC   HA32    28     1.09489   107.17418   145.81967
   33    29 S   CT   _C26    36     1.83921   100.30828   -82.22833
   34    33 S   HC   _H9_    37     1.09605   108.10236    28.09374
   35    30 S   CO3  _C3_    29     1.52952   113.30687   -94.46200
   36    35 S   O2Z  _O31    30     1.26388   115.50751   -42.00927
   37    35 S   O2Z  _O32    31     1.26373   114.91339   138.93922
   38    33 S   CT   _C27    38     1.53015   108.50336   -88.15535
   39    38 S   HC   _H33    39     1.09507   112.40204   -58.94111
   40    38 S   HC   _H34    40     1.09563   110.42024  -179.20132
   41    38 S   HC   _H35    41     1.09562   111.31829    62.13517
   42    33 S   CT   _C24    42     1.54770   112.97506   146.81902
   43    42 S   HC   _H8_    43     1.09957   108.11073   172.21482
   44    42 S   CO4  _C23    44     1.52658   113.45980    56.06311
   45    44 S   O    _O40    45     1.22539   123.22771    76.93146
   46    42 S   CT   _C25   108     1.53409   112.02363   -72.46386
   47    46 S   HC   _H30   109     1.09421   112.25836    63.94682
   48    46 S   HC   _H31   110     1.09505   110.74831   -56.93411
   49    46 S   HC   _H32   111     1.09585   110.56157  -176.28195
   50    44 S   OS   _O39    46     1.36156   111.44541  -101.65122
   51    50 S   CT   _C14    47     1.43357   117.24461   178.85671
   52    51 S   HC   _H6_    48     1.09699   110.95275    44.19810
   53    51 S   CM   _C15    49     1.50112   109.93648   165.77124
   54    53 S   CM   _C16    50     1.34736   112.21643   131.63011
   55    53 S   CT   _C22   104     1.49379   119.08174   -49.78747
   56    55 S   HC   _H27   105     1.09422   110.24360   -68.53003
   57    55 S   HC   _H28   106     1.09263   112.85622   169.97458
   58    55 S   HC   _H29   107     1.09494   110.57811    51.20777
   59    54 S   CT   _C12    51     1.51319   111.19750    -3.12957
   60    59 S   HC   _H5_    52     1.09700   107.61426   103.34858
   61    54 S   CT   _C17    63     1.50465   126.73725   175.09360
   62    61 S   HC   _H7_    64     1.09691   107.45508    76.91679
   63    51 S   CT   _C13    53     1.52468   110.24708   -81.21714
   64    63 S   HC   _H20    54     1.09676   110.27692   103.41431
   65    63 S   HC   _H21    55     1.09476   110.76185   -13.57355
   66    59 S   CT   _C11    56     1.55781   117.11918  -133.45777
   67    61 S   OS   _O36    65     1.44389   110.39020   -38.67342
   68    66 S   CT   _C10    57     1.55154   113.48235   -77.04007
   69    68 S   HC   _H18    58     1.09611   109.12378   -60.22191
   70    68 S   HC   _H19    59     1.09924   107.27918  -172.57691
   71    67 S   CO4  _C20    66     1.36676   109.81537  -156.60804
   72    71 S   O    _O35    67     1.22148   124.34415  -172.72217
   73    66 S   CT   _C28    93     1.54270   112.21328    49.42724
   74    73 S   HC   _H36    94     1.09526   111.51803    63.44775
   75    73 S   HC   _H37    95     1.09131   113.56113   -58.32687
   76    73 S   HC   _H38    96     1.09628   110.25134  -179.85463
   77    66 S   OS   _O41    97     1.47478   110.01183   162.71974
   78    68 S   CT   _C9_    60     1.53889   119.46957    63.80375
   79    78 S   HC   _H4_    61     1.09884   105.99115  -175.32324
   80    83 S   CT   _C19    68     1.54732   114.84990  -170.35608
   81    77 S   CO4  _C29    98     1.36055   122.91723    58.79521
   82    81 S   O    _O42    99     1.22227   127.06306    -0.37949
   83    78 S   CT   _C18    62     1.54468   114.83700   -58.10581
   84    80 S   CT   _C21    69     1.52406   115.37911    80.84599
   85    84 S   HC   _H22    70     1.09497   110.82811   -60.54131
   86    84 S   HC   _H23    71     1.09647   110.84364  -178.49741
   87    84 S   HC   _H24    72     1.09466   112.40842    61.51511
   88    80 S   OH   _O37    73     1.42134   112.46047   -45.70810
   89    88 S   HO   _H25    74     0.97309   108.36710  -176.87695
   90    78 S   OS   _O34    77     1.44125   110.16028    67.41736
   91    81 S   CT   _C30   100     1.49882   109.18229  -179.93439
   92    91 S   HC   _H39   101     1.09295   109.85348   -59.95880
   93    91 S   HC   _H40   102     1.09379   109.37731  -178.94780
   94    91 S   HC   _H41   103     1.09295   109.79116    61.95948
   95    83 S   OH   _O38    75     1.43611   109.65725   -48.65023
   96    95 S   HO   _H26    76     0.97262   108.48629   -47.05896
   97    90 S   CO4  _C8_    78     1.36366   117.98497    85.57036
   98    97 S   O    _O33    79     1.22415   125.93214    -3.09187
   99    97 S   CT   _C6_    80     1.51806   109.71769   177.20579
  100    99 S   HC   _H3_    81     1.09703   108.99365   -11.92904
  101    99 S   CT   _C7_    82     1.52567   108.61469   106.34551
  102   101 S   HC   _H15    83     1.09569   111.40327    61.03861
  103   101 S   HC   _H16    84     1.09486   110.91330  -178.46711
  104   101 S   HC   _H17    85     1.09476   110.86035   -58.60329
  105    99 S   CT   _C5_    86     1.53497   110.98295  -131.40298
  106   105 S   HC   _H13    87     1.09688   109.33997  -173.40989
  107   105 S   HC   _H14    88     1.09685   110.56086   -56.01218
  108   105 S   CT   _C4_    89     1.52310   112.65473    66.11932
  109   108 S   HC   _H10    90     1.09422   111.43279   -63.79983
  110   108 S   HC   _H11    91     1.09466   110.08087   176.71270
  111   108 S   HC   _H12    92     1.09463   111.01186    57.17465
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1   9  14   7  15  21   6   2   1   1  19   8  16   6   6   2
   1  15   8  15   7   6  11   4   6   3   2   1   7  11   5  10
   5   4  10   6   3   2   1   2   1   7   3   2   1   1   1   1
  11   4  12   8   7   3   2   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    63    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    59    63    64    65    55  
   52    53    54    59    60    63    64    65    66    61    55    56    57    58  
   53    54    59    63    64    65    55  
   54    59    60    63    64    65    66    83    61    62    67    55    56    57    58  
   59    60    63    64    65    66    68    78    83    61    62    67    71    80    95    73    77    55    56    57    58  
   56    57    58    59    61    63  
   57    58  
   58  
    0  
   60    63    64    65    66    68    69    70    78    83    61    62    67    73    74    75    76    77    81  
   63    64    65    66    68    61    73    77  
   62    67    71    72    80    84    88    95    96    90    63    66    68    78    79    83  
   67    71    80    95    78    83  
   64    65    66    68    73    77  
   65    66  
   66  
   68    69    70    78    79    83    90    73    74    75    76    77    81    82    91  
   71    72    80    84    88    95    78    83  
   69    70    78    79    83    80    95    90    97    73    74    75    76    77    81  
   70    78    79    83    90    73    77  
   78    79    83    90    73    77  
   72    80    84    85    86    87    88    89    95    78    83  
   80    84    88    83  
   74    75    76    77    81    78  
   75    76    77  
   76    77  
   77  
   81    82    91    92    93    94    78  
   79    83    80    84    88    95    96    90    97    98    99  
   83    80    95    90    97  
   84    85    86    87    88    89    95    96    90    83  
   82    91    92    93    94  
   91    92    93    94  
   84    85    86    87    88    89    95    96    90    97  
   85    86    87    88    89    95  
   86    87    88  
   87    88  
   88  
   89    95  
    0  
   97    98    99   100   101   105    95  
   92    93    94  
   93    94  
   94  
    0  
   96  
    0  
   98    99   100   101   102   103   104   105   106   107   108  
   99   100   101   105  
  100   101   102   103   104   105   106   107   108   109   110   111  
  101   102   103   104   105   106   107   108  
  102   103   104   105   106   107   108  
  103   104   105  
  104   105  
  105  
  106   107   108   109   110   111  
  107   108   109   110   111  
  108   109   110   111  
  109   110   111  
  110   111  
  111  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   99   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   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   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    63   268.000  1.529
   53    54   549.000  1.340
   53    55   317.000  1.510
   54    59   317.000  1.510
   54    61   317.000  1.510
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   66    68   268.000  1.529
   66    73   268.000  1.529
   66    77   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    78   268.000  1.529
   78    79   340.000  1.090
   78    83   268.000  1.529
   78    90   320.000  1.410
   83    61   268.000  1.529
   83    80   268.000  1.529
   83    95   320.000  1.410
   61    62   340.000  1.090
   61    67   320.000  1.410
   67    71   214.000  1.327
   71    72   570.000  1.229
   71    80   317.000  1.522
   80    84   268.000  1.529
   80    88   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   553.000  0.945
   95    96   553.000  0.945
   90    97   214.000  1.327
   97    98   570.000  1.229
   97    99   317.000  1.522
   99   100   340.000  1.090
   99   101   268.000  1.529
   99   105   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    81   214.000  1.327
   81    82   570.000  1.229
   81    91   317.000  1.522
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  110.90400
   50    51    63    50.00000  109.50000
   51    53    54    70.00000  124.00000
   51    53    55    65.00000  117.92700
   51    63    59    58.35000  112.70000
   51    63    64    37.50000  110.70000
   51    63    65    37.50000  110.70000
   53    51    52    35.00000  109.50000
   53    54    59    70.00000  124.00000
   53    54    61    70.00000  124.00000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    35.00000  109.50000
   54    59    60    35.00000  109.50000
   54    59    63    70.00000  112.02700
   54    59    66    70.00000  112.02700
   54    61    83    70.00000  112.02700
   54    61    62    35.00000  109.50000
   54    61    67    85.00000  110.90400
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    66    68    58.35000  112.70000
   59    66    73    58.35000  112.70000
   59    66    77    50.00000  109.50000
   63    51    52    37.50000  110.70000
   63    51    53    70.00000  112.02700
   63    59    60    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    63    58.35000  112.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    78    58.35000  112.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    37.50000  110.70000
   66    77    81    83.00000  116.90000
   68    78    79    37.50000  110.70000
   68    78    83    58.35000  112.70000
   68    78    90    50.00000  109.50000
   70    68    69    33.00000  107.80000
   78    68    69    37.50000  110.70000
   78    68    70    37.50000  110.70000
   78    83    61    58.35000  112.70000
   78    83    80    58.35000  112.70000
   78    83    95    50.00000  109.50000
   78    90    97    83.00000  116.90000
   83    78    79    37.50000  110.70000
   83    61    62    37.50000  110.70000
   83    61    67    50.00000  109.50000
   83    80    71    63.00000  111.10000
   83    80    84    58.35000  112.70000
   83    80    88    50.00000  109.50000
   83    95    96    55.00000  108.50000
   61    54    59    65.00000  117.92700
   61    67    71    83.00000  116.90000
   67    61    62    35.00000  109.50000
   67    71    72    83.00000  123.40000
   67    71    80    81.00000  111.40000
   71    80    84    63.00000  111.10000
   71    80    88    90.00000  109.61100
   80    83    61    58.35000  112.70000
   80    71    72    80.00000  120.40000
   80    84    85    37.50000  110.70000
   80    84    86    37.50000  110.70000
   80    84    87    37.50000  110.70000
   80    88    89    55.00000  108.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    80    84    50.00000  109.50000
   95    83    61    50.00000  109.50000
   95    83    80    50.00000  109.50000
   90    78    79    35.00000  109.50000
   90    78    83    50.00000  109.50000
   90    97    98    83.00000  123.40000
   90    97    99    81.00000  111.40000
   97    99   100    35.00000  109.50000
   97    99   101    63.00000  111.10000
   97    99   105    63.00000  111.10000
   99    97    98    80.00000  120.40000
   99   101   102    37.50000  110.70000
   99   101   103    37.50000  110.70000
   99   101   104    37.50000  110.70000
   99   105   106    37.50000  110.70000
   99   105   107    37.50000  110.70000
   99   105   108    58.35000  112.70000
  101    99   100    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
  105    99   100    37.50000  110.70000
  105    99   101    58.35000  112.70000
  105   108   109    37.50000  110.70000
  105   108   110    37.50000  110.70000
  105   108   111    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    37.50000  110.70000
  108   105   107    37.50000  110.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   73    66    68    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    66    68    50.00000  109.50000
   77    66    73    50.00000  109.50000
   77    81    82    83.00000  123.40000
   77    81    91    81.00000  111.40000
   81    91    92    35.00000  109.50000
   81    91    93    35.00000  109.50000
   81    91    94    35.00000  109.50000
   91    81    82    80.00000  120.40000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   55    53    54    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
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   90    97    99   101   0.36750  1.0 3.0
   90    97    99   105   0.36750  1.0 3.0
   97    99   101   102  -0.11250  1.0 3.0
   97    99   101   103  -0.11250  1.0 3.0
   97    99   101   104  -0.11250  1.0 3.0
   97    99   105   106  -0.11250  1.0 3.0
   97    99   105   107  -0.11250  1.0 3.0
   97    99   105   108  -0.95700  1.0 1.0
   97    99   105   108  -0.18200 -1.0 2.0
   97    99   105   108   0.29450  1.0 3.0
   98    97    99   100   0.00000  1.0 1.0
   98    97    99   101   0.30150 -1.0 2.0
   98    97    99   105   0.30150 -1.0 2.0
   99   105   108   109   0.15000  1.0 3.0
   99   105   108   110   0.15000  1.0 3.0
   99   105   108   111   0.15000  1.0 3.0
  100    99   101   102   0.15000  1.0 3.0
  100    99   101   103   0.15000  1.0 3.0
  100    99   101   104   0.15000  1.0 3.0
  100    99   105   106   0.15000  1.0 3.0
  100    99   105   107   0.15000  1.0 3.0
  100    99   105   108   0.15000  1.0 3.0
  101    99   105   106   0.15000  1.0 3.0
  101    99   105   107   0.15000  1.0 3.0
  101    99   105   108   0.56750  1.0 1.0
  101    99   105   108  -0.07550 -1.0 2.0
  101    99   105   108   0.20000  1.0 3.0
  105    99   101   102   0.15000  1.0 3.0
  105    99   101   103   0.15000  1.0 3.0
  105    99   101   104   0.15000  1.0 3.0
  106   105   108   109   0.15000  1.0 3.0
  106   105   108   110   0.15000  1.0 3.0
  106   105   108   111   0.15000  1.0 3.0
  107   105   108   109   0.15000  1.0 3.0
  107   105   108   110   0.15000  1.0 3.0
  107   105   108   111   0.15000  1.0 3.0
   73    66    68    69   0.15000  1.0 3.0
   73    66    68    70   0.15000  1.0 3.0
   73    66    68    78   0.56750  1.0 1.0
   73    66    68    78  -0.07550 -1.0 2.0
   73    66    68    78   0.20000  1.0 3.0
   73    66    77    81  -0.25900  1.0 1.0
   73    66    77    81  -0.47000 -1.0 2.0
   73    66    77    81   0.11750  1.0 3.0
   77    66    68    69   0.23400  1.0 3.0
   77    66    68    70   0.23400  1.0 3.0
   77    66    68    78   0.62750  1.0 1.0
   77    66    68    78  -0.30950 -1.0 2.0
   77    66    68    78   0.27300  1.0 3.0
   77    66    73    74   0.23400  1.0 3.0
   77    66    73    75   0.23400  1.0 3.0
   77    66    73    76   0.23400  1.0 3.0
   77    81    91    92   0.00000  1.0 1.0
   77    81    91    93   0.00000  1.0 1.0
   77    81    91    94   0.00000  1.0 1.0
   82    81    91    92   0.00000  1.0 1.0
   82    81    91    93   0.00000  1.0 1.0
   82    81    91    94   0.00000  1.0 1.0
   55    53    54    59   7.00000 -1.0 2.0
   55    53    54    61   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   51    55    53    54   1.10000 -1.0 2.0
   59    61    54    53   1.10000 -1.0 2.0
   67    80    71    72  10.50000 -1.0 2.0
   90    99    97    98  10.50000 -1.0 2.0
   77    91    81    82  10.50000 -1.0 2.0
END
