* LIGAND DATABASE FILE (OPLS2005)
*
001     109   113    216    352     651
    1     0 S   NP   _N1_     1    29.07638    97.11759   -19.96602
    2     1 S   H    _HN1     2     1.02796    77.48221   -62.72418
    3     1 S   H    _H1_     3     1.02942    87.39181    46.53784
    4     1 S   H    _H2_     4     1.02857    44.22415   164.72930
    5     1 S   CT   _CA1     5     1.50118   154.11370  -177.78221
    6     5 S   HC   _HA1     6     1.09617   105.16169    46.93446
    7     5 S   CO3  _C1_     7     1.53795   111.76939   -72.52097
    8     7 S   O2Z  _O11     8     1.26295   115.26956   -63.52807
    9     7 S   O2Z  _O12     9     1.26243   114.70670   115.18384
   10     5 S   CT   _CB1    10     1.53091   107.32421   163.96824
   11    10 S   HC   HB11    11     1.09822   109.07360   -53.81706
   12    10 S   HC   HB12    12     1.09810   110.68934    62.61416
   13    10 S   CT   _CG1    13     1.52996   112.56197  -175.00331
   14    13 S   HC   HG11    14     1.09533   110.28798   -63.85734
   15    13 S   HC   HG12    15     1.09645   110.14804    55.15116
   16    13 S   C    _CD1    16     1.51848   112.13012   174.99637
   17    16 S   O    _OE1    17     1.22749   123.09198   -12.84921
   18    16 S   N    _N2_    18     1.38536   111.83471   168.49667
   19    18 S   H    _HN2    19     1.01599   119.09844    -1.28907
   20    18 S   CT1  _CA2    20     1.46323   123.45287   178.63255
   21    20 S   HC   _HA2    21     1.09731   109.36797   -13.37379
   22    20 S   C    _C2_    22     1.53507   108.25275  -128.87969
   23    22 S   O    _O2_    23     1.23010   122.30668  -147.78014
   24    20 S   CT   _CB2    32     1.53377   111.34806   108.94029
   25    24 S   HC   HB21    33     1.09409   109.10599    53.74463
   26    24 S   HC   HB22    34     1.09502   110.63475   172.05337
   27    22 S   N    _N3_    24     1.38541   113.40911    39.77085
   28    27 S   H    _HN3    25     1.01517   118.86873    -0.68528
   29    24 S   S    _SG2    35     1.83357   111.46292   -68.93300
   30    27 S   CT   _CA3    26     1.45441   123.49136   175.16467
   31    30 S   HC   HA31    27     1.09520   109.28199    23.51085
   32    30 S   HC   HA32    28     1.09497   107.10561   140.51935
   33    29 S   CT   _C22    36     1.87937   101.09773   149.65009
   34    30 S   CO3  _C3_    29     1.52918   113.10403  -100.00234
   35    34 S   O2Z  _O31    30     1.26405   115.40609   -44.17238
   36    34 S   O2Z  _O32    31     1.26357   114.98580   136.78272
   37    33 S   CM   _C7_    37     1.54058   109.05416   -66.43811
   38    33 S   CM   _C11    49     1.52209   107.90181    57.88163
   39    33 S   CT   _C28   106     1.54219   107.38073   174.96052
   40    39 S   HC   _H57   107     1.09704   112.21566   -60.60876
   41    39 S   HC   _H58   108     1.09757   110.79587   179.86294
   42    39 S   HC   _H59   109     1.09661   112.42067    60.17205
   43    37 S   CM   _C4_    38     1.34548   121.98126   -51.95225
   44    43 S   HC   _H36    39     1.08635   121.29613    -1.32471
   45    38 S   OH   _O35    50     1.39132   115.58683    55.66166
   46    45 S   HO   _H75    51     0.97508   105.96347  -179.70195
   47    43 S   CM   _C5_    40     1.43472   123.18114   172.79511
   48    47 S   HC   _H37    41     1.08414   114.16869  -168.55456
   49    47 S   CM   _C10    42     1.34757   123.34403     9.87876
   50    49 S   CT   _C21    43     1.55652   118.49969     6.30708
   51    37 S   CM   _C8_    44     1.46997   118.61696   128.22454
   52    50 S   CT   _C13    52     1.55089   110.78976  -145.29914
   53    52 S   HC   _H39    53     1.09834   110.17663  -161.71021
   54    52 S   HC   _H40    54     1.09816   109.78142    82.54526
   55    50 S   CT   _C27   102     1.55279   109.55360    94.35138
   56    55 S   HC   _H54   103     1.09129   112.79124    75.25724
   57    55 S   HC   _H55   104     1.09662   111.74064   -46.45410
   58    55 S   HC   _H56   105     1.09734   111.66021  -166.35885
   59    51 S   CM   _C6_    45     1.35227   119.69359    -6.34449
   60    59 S   HC   _H38    46     1.08880   118.74837   177.12901
   61    52 S   CT   _C16    55     1.52949   115.77369   -40.72707
   62    61 S   HC   _H45    56     1.09611   106.42883   176.82886
   63    61 S   HC   _H46    57     1.09472   110.06163   -69.72838
   64    59 S   CMA  _C9_    47     1.45884   125.12944     0.28116
   65    64 S   OM   _O33    48     1.26102   111.35885  -177.24651
   66    61 S   CT   _C26    58     1.55555   113.11279    55.31977
   67    66 S   CT   _C20    59     1.59572   109.98385  -180.00000
   68    67 S   HC   _H53    60     1.09864   105.75795    51.94304
   69    49 S   CT   _C23    78     1.56782   121.36193  -175.52762
   70    66 S   CT   _C32    98     1.56450   106.28854    60.28941
   71    70 S   HC   _H69    99     1.08974   113.46058   157.29129
   72    70 S   HC   _H70   100     1.09661   111.24599    38.18409
   73    70 S   HC   _H71   101     1.09473   112.39491   -81.28493
   74    67 S   CT   _C19    61     1.55924   111.42890   -61.43608
   75    74 S   HC   _H51    62     1.09541   108.80812   -51.22457
   76    74 S   HC   _H52    63     1.09658   109.69077    63.14171
   77    69 S   CT   _C29    79     1.55405   104.74408   -99.24295
   78    77 S   HC   _H60    80     1.08513   113.08206   166.44261
   79    77 S   HC   _H61    81     1.09740   111.20757    47.29493
   80    77 S   HC   _H62    82     1.08898   113.56105   -74.00311
   81    74 S   CT   _C24    64     1.54627   116.22208  -174.14549
   82    81 S   CT   _C15    65     1.54358   112.33732    46.37311
   83    82 S   HC   _H43    66     1.09694   110.62083  -118.66427
   84    82 S   HC   _H44    67     1.09741   111.44821   125.63255
   85    81 S   CO4  _C12    87     1.54122   107.74987   166.76544
   86    85 S   O    _O34    88     1.22518   124.62632   112.62685
   87    81 S   CT   _C30    94     1.54186   109.91901   -76.12049
   88    87 S   HC   _H63    95     1.09285   112.11160    61.52421
   89    87 S   HC   _H64    96     1.09649   111.31871   -58.60461
   90    87 S   HC   _H65    97     1.09648   111.07076  -177.91072
   91    82 S   CT   _C18    68     1.52918   112.56450     3.70407
   92    91 S   HC   _H49    69     1.09790   109.20577    66.76141
   93    91 S   HC   _H50    70     1.09813   108.66710  -178.49676
   94    85 S   OS   _O36    89     1.36740   110.66445   -66.65043
   95    67 S   CT   _C25    71     1.58061   114.67990   169.46432
   96    94 S   CT   _C33    90     1.43051   115.44111   179.54329
   97    96 S   HC   _H72    91     1.09326   108.08593   179.83214
   98    96 S   HC   _H73    92     1.09418   110.29427    61.15272
   99    96 S   HC   _H74    93     1.09417   110.27539   -61.50158
  100    95 S   CT   _C17    72     1.54450   113.70126     0.14537
  101   100 S   HC   _H47    73     1.09960   109.81643  -160.94704
  102   100 S   HC   _H48    74     1.09738   109.36414    87.00447
  103    95 S   CT   _C31    83     1.55640   111.65122  -120.68432
  104   103 S   HC   _H66    84     1.09225   112.55659   -38.10362
  105   103 S   HC   _H67    85     1.09722   110.97611  -158.29671
  106   103 S   HC   _H68    86     1.09119   112.78024    84.03259
  107   100 S   CT   _C14    75     1.53554   118.26648   -36.34779
  108   107 S   HC   _H41    76     1.09773   104.28892   144.17373
  109   107 S   HC   _H42    77     1.09865   108.48740  -103.92878
  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  11   5   4   3
  16   2   1   1  18  12   7   2   1   1   8   4   4   1  10   3
  23  18  13  14   6   5   6   2   1   1   3   2  14   5   4   1
   1  22  26  10  16   7   2   1   1  17   6   5   7   3   2   1
  15  15   7   6  11   3   5   2   1   1  11   4   3   4  10   3
   2   1   1   9   5   4   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    51    64    38    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    47    50    51    59    64    65    38    45    46    39    40    41    42  
   35    36  
   36  
    0  
   43    44    47    48    49    50    51    59    60    64    38    45    52    55    39    40    41    42  
   45    46    39    40    41    42    43    51    59    60    64    65  
   40    41    42    43    45    51    64  
   41    42  
   42  
    0  
   44    47    48    49    50    51    59    69  
   47    48    49    51  
   46    59    64    65  
   64  
   48    49    50    51    52    66   107    69    77    55  
   49    50    69  
   50    51    59    52    53    54    61    66    67   100   107   108   109    69    77    78    79    80    70    55    56    57    58  
   51    59    60    64    52    53    54    61    62    63    66   107    69    77    55    56    57    58  
   59    60    64    65    52    53    54    61    69    55    56    57    58  
   53    54    61    62    63    66    67    69    70    55    56    57    58    59  
   54    61    62    63    66    55  
   61    62    63    66    55  
   56    57    58    59    61    69  
   57    58  
   58  
    0  
   60    64    65  
   64    65  
   62    63    66    67    68    74    95   107    69    77    70    71    72    73  
   63    66    67    69    70  
   66    67    69    70  
   65  
    0  
   67    68    74    75    76    81    91    95   100   107   108   109    69    77    78    79    80   103    70    71    72    73  
   68    74    75    76    81    82    91    92    93    95   100   101   102   107    69    77   103   104   105   106    85    87    70    71    72    73  
   74    75    76    81    91    95   100    69   103    70  
   77    78    79    80    70    71    72    73    74    95   100   101   102   107   108   109  
   71    72    73    74    77    95   107  
   72    73  
   73  
    0  
   75    76    81    82    83    84    91    95   100   103    85    86    94    87    88    89    90  
   76    81    82    95    85    87  
   81    82    95    85    87  
   78    79    80   100   107   108   109  
   79    80   107  
   80   107  
  107  
   82    83    84    91    92    93    95    85    86    94    96    87    88    89    90  
   83    84    91    92    93    95   100   103    85    86    94    87    88    89    90  
   84    91    92    93    95    85    87  
   91    92    93    95    85    87  
   86    94    96    97    98    99    87    88    89    90    91  
   94    96    87  
   88    89    90    91    94  
   89    90  
   90  
    0  
   92    93    95   100   101   102   107   103   104   105   106  
   93    95   100   103  
   95   100   103  
   96    97    98    99  
  100   101   102   107   108   109   103   104   105   106  
   97    98    99  
   98    99  
   99  
    0  
  101   102   107   108   109   103   104   105   106  
  102   107   108   109   103  
  107   108   109   103  
  104   105   106   107  
  105   106  
  106  
    0  
  108   109  
  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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   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   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   65   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   96   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  100   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   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    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   317.000  1.510
   33    38   317.000  1.510
   33    39   268.000  1.529
   37    43   549.000  1.340
   37    51   380.000  1.444
   43    44   340.000  1.080
   43    47   380.000  1.444
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   317.000  1.510
   49    69   317.000  1.510
   50    51   317.000  1.510
   50    52   268.000  1.529
   50    55   268.000  1.529
   51    59   549.000  1.340
   59    60   340.000  1.080
   59    64   465.000  1.376
   64    65   745.000  1.250
   64    38   465.000  1.376
   38    45   510.000  1.338
   45    46   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   268.000  1.529
   66    69   268.000  1.529
   66    70   268.000  1.529
   67    68   340.000  1.090
   67    74   268.000  1.529
   67    95   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    81   268.000  1.529
   81    82   268.000  1.529
   81    85   317.000  1.522
   81    87   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    95   268.000  1.529
   95   100   268.000  1.529
   95   103   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   107   268.000  1.529
  107   108   340.000  1.090
  107   109   340.000  1.090
  107    69   268.000  1.529
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   85    86   570.000  1.229
   85    94   214.000  1.327
   94    96   320.000  1.410
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    43    70.00000  124.00000
   33    37    51    70.00000  124.00000
   33    38    64    70.00000  124.00000
   33    38    45    90.00000  109.34000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    35.00000  120.00000
   37    43    47    70.00000  123.01800
   37    51    50    70.00000  124.00000
   37    51    59    70.00000  123.01800
   43    47    48    35.00000  120.00000
   43    47    49    70.00000  123.01800
   47    43    44    35.00000  120.00000
   47    49    50    70.00000  124.00000
   47    49    69    70.00000  124.00000
   49    47    48    35.00000  120.00000
   49    50    51    70.00000  110.12100
   49    50    52    70.00000  112.02700
   49    50    55    70.00000  112.02700
   49    69    66    70.00000  112.02700
   49    69   107    70.00000  112.02700
   49    69    77    70.00000  112.02700
   50    51    59    70.00000  124.00000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    61    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   51    37    43    70.00000  123.01800
   51    59    60    35.00000  120.00000
   51    59    64    70.00000  117.34000
   59    64    65    65.00000  137.10300
   59    64    38    70.00000  123.01800
   64    59    60    40.00000  120.50800
   64    38    45    80.00000  121.38400
   38    33    37    70.00000  110.12100
   38    64    65    65.00000  137.10300
   38    45    46    70.00000  107.45700
   52    50    51    70.00000  112.02700
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    66    58.35000  112.70000
   54    52    53    33.00000  107.80000
   61    52    53    37.50000  110.70000
   61    52    54    37.50000  110.70000
   61    66    67    58.35000  112.70000
   61    66    69    58.35000  112.70000
   61    66    70    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    74    58.35000  112.70000
   66    67    95    58.35000  112.70000
   66    69   107    58.35000  112.70000
   66    69    77    58.35000  112.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    81    58.35000  112.70000
   67    95    91    58.35000  112.70000
   67    95   100    58.35000  112.70000
   67    95   103    58.35000  112.70000
   74    67    68    37.50000  110.70000
   74    81    82    58.35000  112.70000
   74    81    85    63.00000  111.10000
   74    81    87    58.35000  112.70000
   76    74    75    33.00000  107.80000
   81    74    75    37.50000  110.70000
   81    74    76    37.50000  110.70000
   81    82    83    37.50000  110.70000
   81    82    84    37.50000  110.70000
   81    82    91    58.35000  112.70000
   81    85    86    80.00000  120.40000
   81    85    94    81.00000  111.40000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    90    37.50000  110.70000
   82    91    92    37.50000  110.70000
   82    91    93    37.50000  110.70000
   82    91    95    58.35000  112.70000
   84    82    83    33.00000  107.80000
   91    82    83    37.50000  110.70000
   91    82    84    37.50000  110.70000
   91    95   100    58.35000  112.70000
   91    95   103    58.35000  112.70000
   93    91    92    33.00000  107.80000
   95    67    68    37.50000  110.70000
   95    67    74    58.35000  112.70000
   95    91    92    37.50000  110.70000
   95    91    93    37.50000  110.70000
   95   100   101    37.50000  110.70000
   95   100   102    37.50000  110.70000
   95   100   107    58.35000  112.70000
   95   103   104    37.50000  110.70000
   95   103   105    37.50000  110.70000
   95   103   106    37.50000  110.70000
  100   107   108    37.50000  110.70000
  100   107   109    37.50000  110.70000
  100   107    69    58.35000  112.70000
  102   100   101    33.00000  107.80000
  107   100   101    37.50000  110.70000
  107   100   102    37.50000  110.70000
  107    69    77    58.35000  112.70000
  109   107   108    33.00000  107.80000
   69    49    50    65.00000  117.92700
   69    66    67    58.35000  112.70000
   69   107   108    37.50000  110.70000
   69   107   109    37.50000  110.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
  103    95   100    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   85    81    82    63.00000  111.10000
   85    94    96    83.00000  116.90000
   94    85    86    83.00000  123.40000
   94    96    97    35.00000  109.50000
   94    96    98    35.00000  109.50000
   94    96    99    35.00000  109.50000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   87    81    82    58.35000  112.70000
   87    81    85    63.00000  111.10000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   70    66    67    58.35000  112.70000
   70    66    69    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   55    50    51    70.00000  112.02700
   55    50    52    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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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   95    67   -74    81   0.20000  1.0 3.0
   95   100   107   108   0.15000  1.0 3.0
   95   100   107   109   0.15000  1.0 3.0
   95   100   107    69   0.56750  1.0 1.0
   95   100   107    69  -0.07550 -1.0 2.0
   95   100   107    69   0.20000  1.0 3.0
  100    95   103   104   0.15000  1.0 3.0
  100    95   103   105   0.15000  1.0 3.0
  100    95   103   106   0.15000  1.0 3.0
  100   107    69    49   0.34400  1.0 1.0
  100   107    69    49   0.09450 -1.0 2.0
  100   107    69    49   0.11100  1.0 3.0
  100   107   -69    66   0.56750  1.0 1.0
  100   107   -69    66  -0.07550 -1.0 2.0
  100   107   -69    66   0.20000  1.0 3.0
  100   107    69    77   0.56750  1.0 1.0
  100   107    69    77  -0.07550 -1.0 2.0
  100   107    69    77   0.20000  1.0 3.0
  101   100   107   108   0.15000  1.0 3.0
  101   100   107   109   0.15000  1.0 3.0
  101   100   107    69   0.15000  1.0 3.0
  102   100   107   108   0.15000  1.0 3.0
  102   100   107   109   0.15000  1.0 3.0
  102   100   107    69   0.15000  1.0 3.0
  107    69    77    78   0.15000  1.0 3.0
  107    69    77    79   0.15000  1.0 3.0
  107    69    77    80   0.15000  1.0 3.0
  108   107    69    49   0.15000  1.0 3.0
  108   107    69    66   0.15000  1.0 3.0
  108   107    69    77   0.15000  1.0 3.0
  109   107    69    49   0.15000  1.0 3.0
  109   107    69    66   0.15000  1.0 3.0
  109   107    69    77   0.15000  1.0 3.0
   69    49    50    51   0.09700  1.0 1.0
   69    49    50    51   0.15600 -1.0 2.0
   69    49    50    51  -0.50800  1.0 3.0
   69    49   -50    52   0.46850  1.0 1.0
   69    49   -50    52   0.08550 -1.0 2.0
   69    49   -50    52   0.09800  1.0 3.0
   69    49    50    55   0.46850  1.0 1.0
   69    49    50    55   0.08550 -1.0 2.0
   69    49    50    55   0.09800  1.0 3.0
   69    66    67    68   0.15000  1.0 3.0
   69    66    67    74   0.56750  1.0 1.0
   69    66    67    74  -0.07550 -1.0 2.0
   69    66    67    74   0.20000  1.0 3.0
   69    66   -67    95   0.56750  1.0 1.0
   69    66   -67    95  -0.07550 -1.0 2.0
   69    66   -67    95   0.20000  1.0 3.0
   69    66    70    71   0.15000  1.0 3.0
   69    66    70    72   0.15000  1.0 3.0
   69    66    70    73   0.15000  1.0 3.0
  103    95   100   101   0.15000  1.0 3.0
  103    95   100   102   0.15000  1.0 3.0
  103    95   100   107   0.56750  1.0 1.0
  103    95   100   107  -0.07550 -1.0 2.0
  103    95   100   107   0.20000  1.0 3.0
   85    81    82    83  -0.11250  1.0 3.0
   85    81    82    84  -0.11250  1.0 3.0
   85    81    82    91  -0.95700  1.0 1.0
   85    81    82    91  -0.18200 -1.0 2.0
   85    81    82    91   0.29450  1.0 3.0
   85    81    87    88  -0.11250  1.0 3.0
   85    81    87    89  -0.11250  1.0 3.0
   85    81    87    90  -0.11250  1.0 3.0
   85    94    96    97   0.08050  1.0 3.0
   85    94    96    98   0.08050  1.0 3.0
   85    94    96    99   0.08050  1.0 3.0
   86    85    94    96   3.00000 -1.0 2.0
   87    81    82    83   0.15000  1.0 3.0
   87    81    82    84   0.15000  1.0 3.0
   87    81    82    91   0.56750  1.0 1.0
   87    81    82    91  -0.07550 -1.0 2.0
   87    81    82    91   0.20000  1.0 3.0
   87    81    85    86   0.30150 -1.0 2.0
   87    81    85    94   0.36750  1.0 3.0
   70    66    67    68   0.15000  1.0 3.0
   70    66    67    74   0.56750  1.0 1.0
   70    66    67    74  -0.07550 -1.0 2.0
   70    66    67    74   0.20000  1.0 3.0
   70    66    67    95   0.56750  1.0 1.0
   70    66    67    95  -0.07550 -1.0 2.0
   70    66    67    95   0.20000  1.0 3.0
   70    66    69    49   0.34400  1.0 1.0
   70    66    69    49   0.09450 -1.0 2.0
   70    66    69    49   0.11100  1.0 3.0
   70    66    69   107   0.56750  1.0 1.0
   70    66    69   107  -0.07550 -1.0 2.0
   70    66    69   107   0.20000  1.0 3.0
   70    66    69    77   0.56750  1.0 1.0
   70    66    69    77  -0.07550 -1.0 2.0
   70    66    69    77   0.20000  1.0 3.0
   55    50    51    37   0.98200  1.0 1.0
   55    50    51    37  -0.11900 -1.0 2.0
   55    50    51    37   0.24250  1.0 3.0
   55    50    51    59   0.09850  1.0 1.0
   55    50    51    59   0.15250 -1.0 2.0
   55    50    51    59  -0.50650  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    61   0.56750  1.0 1.0
   55    50    52    61  -0.07550 -1.0 2.0
   55    50    52    61   0.20000  1.0 3.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    37    51   0.98200  1.0 1.0
   39    33    37    51  -0.11900 -1.0 2.0
   39    33    37    51   0.24250  1.0 3.0
   39    33    38    64   0.09850  1.0 1.0
   39    33    38    64   0.15250 -1.0 2.0
   39    33    38    64  -0.50650  1.0 3.0
   39    33    38    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  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
   33    51    37    43   1.10000 -1.0 2.0
   47    44    43    37   1.10000 -1.0 2.0
   43    48    47    49   1.10000 -1.0 2.0
   50    69    49    47   1.10000 -1.0 2.0
   37    50    51    59   1.10000 -1.0 2.0
   64    60    59    51   1.10000 -1.0 2.0
   59    65    64    38   1.10000 -1.0 2.0
   33    45    38    64   1.10000 -1.0 2.0
   81    94    85    86  10.50000 -1.0 2.0
END
