* LIGAND DATABASE FILE (OPLS2005)
*
001     115   117    219    329     642
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02016    99.03915    22.93322
    3     1 S   H    _H1_     3     1.02099    36.40226   132.26620
    4     1 S   H    _H2_     4     1.02134    79.44572   -84.59420
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C28    36     1.83138    97.85804   159.97321
   34    33 S   HC   _H11    37     1.09721   105.88663   -44.85137
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C29    38     1.52910   108.71564  -160.00253
   39    38 S   HC   _H35    39     1.09497   110.41521   -65.88162
   40    38 S   HC   _H36    40     1.09568   112.33461   173.78514
   41    38 S   HC   _H37    41     1.09666   111.07152    52.80942
   42    33 S   CT   _C26    42     1.54577   113.87573    73.42438
   43    42 S   HC   _H10    43     1.09916   108.03287   -38.69490
   44    42 S   CO4  _C25    44     1.52346   113.42244  -157.22648
   45    44 S   O    _O40    45     1.22444   124.66425   -90.93072
   46    42 S   CT   _C27   112     1.53173   112.62150    77.66035
   47    46 S   HC   _H32   113     1.09538   110.89557    62.26408
   48    46 S   HC   _H33   114     1.09470   112.40488   -59.01568
   49    46 S   HC   _H34   115     1.09620   110.36011  -178.29108
   50    44 S   OS   _O39    46     1.37172   110.18043    89.39671
   51    50 S   CT   _C13    47     1.41812   116.02625   179.64668
   52    51 S   HC   _H6_    48     1.09854   110.27561    29.98279
   53    51 S   CM   _C14    49     1.49716   109.45316   -92.88438
   54    53 S   HC   _H22    50     1.08093   123.96317    39.84390
   55    53 S   CM   _C15    51     1.34026   111.19744  -137.19018
   56    55 S   CT   _C16    52     1.52686   111.28630    -4.53263
   57    56 S   HC   _H7_    53     1.09283   109.88466   141.74006
   58    55 S   CT   _C24   108     1.48857   125.93605   174.34303
   59    58 S   HC   _H29   109     1.09202   110.06003    90.01393
   60    58 S   HC   _H30   110     1.09117   110.10090   -30.16686
   61    58 S   HC   _H31   111     1.09126   110.05129  -149.89904
   62    51 S   CT   _C12    54     1.54627   111.23851   156.85077
   63    62 S   HC   _H5_    55     1.10616   105.35224    41.48654
   64    56 S   CT   _C17    64     1.54404   108.39669   -95.29223
   65    64 S   HC   _H8_    65     1.09785   109.15987    60.11231
   66    62 S   CT   _C11    56     1.55006   117.62909   -73.40861
   67    64 S   OS   _O36    66     1.44778   110.19401   -55.50902
   68    66 S   CT   _C10    57     1.53865   116.23022   -85.08703
   69    68 S   HC   _H20    58     1.09970   108.10356   171.87796
   70    68 S   HC   _H21    59     1.09729   110.88925    57.01188
   71    67 S   CO4  _C20    67     1.36318   112.26338  -113.80673
   72    71 S   O    _O35    68     1.22152   124.37703  -176.84669
   73    66 S   CT   _C30    97     1.53851   112.28217    40.29014
   74    73 S   HC   _H38    98     1.08490   109.25849    50.35738
   75    73 S   HC   _H39    99     1.08522   109.28901   -69.66363
   76    73 S   HC   _H40   100     1.08526   109.28417   170.32053
   77    66 S   OS   _O41   101     1.44179   107.17295   155.64592
   78    68 S   CT   _C9_    60     1.53168   113.95648   -69.37435
   79    78 S   HC   _H4_    61     1.09185   110.24766   -34.49299
   80    83 S   CT   _C19    69     1.53360   115.64118  -167.49741
   81    77 S   CO4  _C31   102     1.35840   115.00712   -74.82668
   82    81 S   O    _O42   103     1.22343   126.83126    30.00885
   83    78 S   CT   _C18    62     1.52228   112.94721    91.13452
   84    83 S   HC   _H9_    63     1.10392   106.10559    75.82972
   85    80 S   CT   _C21    70     1.52506   117.30413    40.53226
   86    85 S   HC   _H23    71     1.08956   109.94464   -65.08333
   87    85 S   HC   _H24    72     1.08946   109.88765   174.91600
   88    85 S   HC   _H25    73     1.08957   109.92832    54.98580
   89    80 S   OS   _O37    74     1.41815   110.01943   -84.89010
   90    78 S   OS   _O34    81     1.43323   107.48207  -149.70002
   91    81 S   CT   _C32   104     1.49829   109.13694  -150.03942
   92    91 S   HC   _H41   105     1.09378   109.85279   -89.91765
   93    91 S   HC   _H42   106     1.09271   109.88383   148.14031
   94    91 S   HC   _H43   107     1.09411   109.36729    29.07143
   95    89 S   CO4  _C22    75     1.36917   115.91323   -70.38303
   96    95 S   O    _O38    76     1.22339   125.93614    -0.01978
   97    90 S   CO4  _C8_    82     1.36430   115.43949    87.98441
   98    97 S   O    _O33    83     1.22488   125.94712     0.00000
   99    95 S   CT   _C23    77     1.49903   110.00246  -179.98022
  100    99 S   HC   _H26    78     1.09363   109.80561   -89.97494
  101    99 S   HC   _H27    79     1.09248   109.85540   148.12802
  102    99 S   HC   _H28    80     1.09400   109.36395    29.07485
  103    97 S   CT   _C6_    84     1.51938   109.50558  -178.82480
  104   103 S   HC   _H3_    85     1.09799   108.69945    28.82235
  105   103 S   CT   _C7_    86     1.52623   108.38464   -89.45943
  106   105 S   HC   _H17    87     1.09552   111.27364   -61.86984
  107   105 S   HC   _H18    88     1.09512   110.85943    58.65499
  108   105 S   HC   _H19    89     1.09575   110.84387   178.58183
  109   103 S   CT   _C5_    90     1.53543   111.48453   148.19823
  110   109 S   HC   _H15    91     1.09697   109.34554    60.76326
  111   109 S   HC   _H16    92     1.09704   110.60116   178.12612
  112   109 S   CT   _C4_    93     1.52306   112.57832   -59.60544
  113   112 S   HC   _H12    94     1.09401   111.55656   -59.02032
  114   112 S   HC   _H13    95     1.09522   110.04102  -178.65259
  115   112 S   HC   _H14    96     1.09483   110.98857    61.93880
  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  12   4  13  19   8   5   2   1   1  16   5  14
   6  15   8  15   7   6  11   4   6   3   2   1   7  10   5  11
   5   4   9   3   5   3   2   1   6   6   3   2   1   1   5   4
  11   4   3   2   1   1  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    62    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    56    62    63    66  
   52    53    54    55    56    57    62    63    66    68    64    73    77    58  
   53    54    55    56    62    63    66  
   54    55    56    57    62    63    66    64    58    59    60    61  
   55    56    62    58  
   56    57    62    63    66    83    64    65    67    58    59    60    61  
   57    62    63    66    68    78    83    84    64    65    67    71    80    73    77    58    59    60    61  
   62    63    66    83    64    65    67    58  
   59    60    61    62    64  
   60    61  
   61  
    0  
   63    66    68    69    70    78    83    64    65    67    73    74    75    76    77    81  
   66    68    64    73    77  
   65    67    71    72    80    85    89    90    66    68    78    79    83    84  
   67    71    80    78    83    84  
   68    69    70    78    79    83    90    73    74    75    76    77    81    82    91  
   71    72    80    85    89    78    83    84  
   69    70    78    79    83    84    80    90    97    73    74    75    76    77    81  
   70    78    79    83    90    73    77  
   78    79    83    90    73    77  
   72    80    85    86    87    88    89    95    78    83    84  
   80    85    89    83  
   74    75    76    77    81    78  
   75    76    77  
   76    77  
   77  
   81    82    91    92    93    94    78  
   79    83    84    80    85    89    90    97    98   103  
   83    84    80    90    97  
   85    86    87    88    89    95    96    99    90    83    84  
   82    91    92    93    94  
   91    92    93    94  
   84    85    86    87    88    89    95    90    97  
   85    89    90  
   86    87    88    89    95  
   87    88    89  
   88    89  
   89  
   95    96    99   100   101   102  
   97    98   103   104   105   109  
   92    93    94  
   93    94  
   94  
    0  
   96    99   100   101   102  
   99   100   101   102  
   98   103   104   105   106   107   108   109   110   111   112  
  103   104   105   109  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107   108   109   110   111   112   113   114   115  
  105   106   107   108   109   110   111   112  
  106   107   108   109   110   111   112  
  107   108   109  
  108   109  
  109  
  110   111   112   113   114   115  
  111   112   113   114   115  
  112   113   114   115  
  113   114   115  
  114   115  
  115  
    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  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   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   0.250000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    62   268.000  1.529
   53    54   340.000  1.080
   53    55   549.000  1.340
   55    56   317.000  1.510
   55    58   317.000  1.510
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    64   268.000  1.529
   62    63   340.000  1.090
   62    66   268.000  1.529
   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    84   340.000  1.090
   83    64   268.000  1.529
   83    80   268.000  1.529
   64    65   340.000  1.090
   64    67   320.000  1.410
   67    71   214.000  1.327
   71    72   570.000  1.229
   71    80   317.000  1.522
   80    85   268.000  1.529
   80    89   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    95   214.000  1.327
   95    96   570.000  1.229
   95    99   317.000  1.522
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   90    97   214.000  1.327
   97    98   570.000  1.229
   97   103   317.000  1.522
  103   104   340.000  1.090
  103   105   268.000  1.529
  103   109   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   268.000  1.529
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   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
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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    62    50.00000  109.50000
   51    53    54    35.00000  117.00000
   51    53    55    70.00000  124.00000
   51    62    56    58.35000  112.70000
   51    62    63    37.50000  110.70000
   51    62    66    58.35000  112.70000
   53    51    52    35.00000  109.50000
   53    55    56    70.00000  124.00000
   53    55    58    70.00000  124.00000
   55    53    54    35.00000  120.00000
   55    56    57    35.00000  109.50000
   55    56    62    70.00000  112.02700
   55    56    64    70.00000  112.02700
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   56    62    63    37.50000  110.70000
   56    62    66    58.35000  112.70000
   56    64    83    58.35000  112.70000
   56    64    65    37.50000  110.70000
   56    64    67    50.00000  109.50000
   62    51    52    37.50000  110.70000
   62    51    53    70.00000  112.02700
   62    56    57    37.50000  110.70000
   62    66    68    58.35000  112.70000
   62    66    73    58.35000  112.70000
   62    66    77    50.00000  109.50000
   66    62    63    37.50000  110.70000
   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    84    37.50000  110.70000
   78    83    64    58.35000  112.70000
   78    83    80    58.35000  112.70000
   78    90    97    83.00000  116.90000
   83    78    79    37.50000  110.70000
   83    64    65    37.50000  110.70000
   83    64    67    50.00000  109.50000
   83    80    71    63.00000  111.10000
   83    80    85    58.35000  112.70000
   83    80    89    50.00000  109.50000
   64    56    57    37.50000  110.70000
   64    56    62    58.35000  112.70000
   64    83    84    37.50000  110.70000
   64    67    71    83.00000  116.90000
   67    64    65    35.00000  109.50000
   67    71    72    83.00000  123.40000
   67    71    80    81.00000  111.40000
   71    80    85    63.00000  111.10000
   71    80    89    90.00000  108.74100
   80    83    84    37.50000  110.70000
   80    83    64    58.35000  112.70000
   80    71    72    80.00000  120.40000
   80    85    86    37.50000  110.70000
   80    85    87    37.50000  110.70000
   80    85    88    37.50000  110.70000
   80    89    95    83.00000  116.90000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    80    85    50.00000  109.50000
   89    95    96    83.00000  123.40000
   89    95    99    81.00000  111.40000
   95    99   100    35.00000  109.50000
   95    99   101    35.00000  109.50000
   95    99   102    35.00000  109.50000
   99    95    96    80.00000  120.40000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   90    78    79    35.00000  109.50000
   90    78    83    50.00000  109.50000
   90    97    98    83.00000  123.40000
   90    97   103    81.00000  111.40000
   97   103   104    35.00000  109.50000
   97   103   105    63.00000  111.10000
   97   103   109    63.00000  111.10000
  103    97    98    80.00000  120.40000
  103   105   106    37.50000  110.70000
  103   105   107    37.50000  110.70000
  103   105   108    37.50000  110.70000
  103   109   110    37.50000  110.70000
  103   109   111    37.50000  110.70000
  103   109   112    58.35000  112.70000
  105   103   104    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   103   104    37.50000  110.70000
  109   103   105    58.35000  112.70000
  109   112   113    37.50000  110.70000
  109   112   114    37.50000  110.70000
  109   112   115    37.50000  110.70000
  111   109   110    33.00000  107.80000
  112   109   110    37.50000  110.70000
  112   109   111    37.50000  110.70000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    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
   58    55    56    65.00000  117.92700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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
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   89    95    99   101   0.00000  1.0 1.0
   89    95    99   102   0.00000  1.0 1.0
   96    95    99   100   0.00000  1.0 1.0
   96    95    99   101   0.00000  1.0 1.0
   96    95    99   102   0.00000  1.0 1.0
   90    78    83    84   0.23400  1.0 3.0
   90    78    83    64   0.62750  1.0 1.0
   90    78    83    64  -0.30950 -1.0 2.0
   90    78    83    64   0.27300  1.0 3.0
   90    78    83    80   0.62750  1.0 1.0
   90    78    83    80  -0.30950 -1.0 2.0
   90    78    83    80   0.27300  1.0 3.0
   90    97   103   104   0.00000  1.0 1.0
   90    97   103   105   0.36750  1.0 3.0
   90    97   103   109   0.36750  1.0 3.0
   97   103   105   106  -0.11250  1.0 3.0
   97   103   105   107  -0.11250  1.0 3.0
   97   103   105   108  -0.11250  1.0 3.0
   97   103   109   110  -0.11250  1.0 3.0
   97   103   109   111  -0.11250  1.0 3.0
   97   103   109   112  -0.95700  1.0 1.0
   97   103   109   112  -0.18200 -1.0 2.0
   97   103   109   112   0.29450  1.0 3.0
   98    97   103   104   0.00000  1.0 1.0
   98    97   103   105   0.30150 -1.0 2.0
   98    97   103   109   0.30150 -1.0 2.0
  103   109   112   113   0.15000  1.0 3.0
  103   109   112   114   0.15000  1.0 3.0
  103   109   112   115   0.15000  1.0 3.0
  104   103   105   106   0.15000  1.0 3.0
  104   103   105   107   0.15000  1.0 3.0
  104   103   105   108   0.15000  1.0 3.0
  104   103   109   110   0.15000  1.0 3.0
  104   103   109   111   0.15000  1.0 3.0
  104   103   109   112   0.15000  1.0 3.0
  105   103   109   110   0.15000  1.0 3.0
  105   103   109   111   0.15000  1.0 3.0
  105   103   109   112   0.56750  1.0 1.0
  105   103   109   112  -0.07550 -1.0 2.0
  105   103   109   112   0.20000  1.0 3.0
  109   103   105   106   0.15000  1.0 3.0
  109   103   105   107   0.15000  1.0 3.0
  109   103   105   108   0.15000  1.0 3.0
  110   109   112   113   0.15000  1.0 3.0
  110   109   112   114   0.15000  1.0 3.0
  110   109   112   115   0.15000  1.0 3.0
  111   109   112   113   0.15000  1.0 3.0
  111   109   112   114   0.15000  1.0 3.0
  111   109   112   115   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
   58    55    56    57   0.34800  1.0 3.0
   58    55    56    62   0.46850  1.0 1.0
   58    55    56    62   0.08550 -1.0 2.0
   58    55    56    62   0.09800  1.0 3.0
   58    55    56    64   0.46850  1.0 1.0
   58    55    56    64   0.08550 -1.0 2.0
   58    55    56    64   0.09800  1.0 3.0
   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    54    53    55   1.10000 -1.0 2.0
   56    58    55    53   1.10000 -1.0 2.0
   67    80    71    72  10.50000 -1.0 2.0
   89    99    95    96  10.50000 -1.0 2.0
   90   103    97    98  10.50000 -1.0 2.0
   77    91    81    82  10.50000 -1.0 2.0
END
