* LIGAND DATABASE FILE (OPLS2005)
*
001     112   115    209    334     624
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02085    73.31595    63.91957
    3     1 S   H    _H1_     3     1.02175    40.61385  -146.38965
    4     1 S   H    _H2_     4     1.02067   102.45571   -42.14566
    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   _C25    36     1.84091    97.55249  -158.16849
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C15    37     1.54297   115.92372    60.00789
   38    33 S   CT   _C24    91     1.57432   113.23190  -176.06159
   39    33 S   OH   _O36   111     1.43839   105.27839   -58.42743
   40    39 S   HO   _H22   112     0.96697   106.05205    64.13814
   41    37 S   CM   _C14    38     1.35385   128.74082    18.48170
   42    38 S   OH   _O37    92     1.42895   109.14089    54.52080
   43    42 S   HO   _H23    93     0.96197   105.02321   -63.54069
   44    41 S   CA   _C12    39     1.48625   121.37815   166.49899
   45    41 S   OH   _O40   109     1.37929   122.29402    -7.60837
   46    45 S   HO   _H33   110     0.96151   109.77198    -5.57805
   47    44 S   CA   _C11    40     1.40477   119.84093    14.52613
   48    47 S   CA   _C10    41     1.40450   120.52724  -179.45896
   49    47 S   CT   _C17    74     1.49949   120.15796     3.88323
   50    49 S   HC   _H18    75     1.10590   111.02174    93.75095
   51    49 S   HC   _H19    76     1.10824   107.52736  -150.70381
   52    48 S   CA   _C9_    42     1.39165   120.48070     1.69604
   53    52 S   HA   _H16    43     1.08790   120.13098   179.80317
   54    48 S   NE   _N8_    65     1.41478   121.31459  -178.70336
   55    37 S   CT   _C16    77     1.52964   110.74460  -168.32010
   56    55 S   HC   _H3_    78     1.12388   105.10977    48.35403
   57    52 S   CA   _C8_    44     1.38853   119.63486    -0.26244
   58    54 S   CT   _C29    66     1.44786   120.25374   -89.58827
   59    58 S   HC   _H34    67     1.09333   110.10055   179.94405
   60    58 S   HC   _H35    68     1.09327   110.23000    59.95567
   61    58 S   HC   _H36    69     1.09324   110.22288   -60.02554
   62    54 S   CT   _C30    70     1.44717   120.34862    89.70231
   63    62 S   HC   _H37    71     1.09331   110.08844  -179.95577
   64    62 S   HC   _H38    72     1.09334   110.24622    60.02387
   65    62 S   HC   _H39    73     1.09386   110.21384   -59.97258
   66    55 S   CT   _C18    79     1.53657   108.06107   -65.00361
   67    66 S   HC   _H20    80     1.08178   109.49328   178.32906
   68    66 S   HC   _H21    81     1.08092   108.82450   -63.79226
   69    44 S   CA   _C13    45     1.40685   122.14692  -162.45740
   70    57 S   N    _N5_    48     1.39824   119.07820   179.53270
   71    70 S   H    _H15    49     1.02602   116.13057  -150.01428
   72    66 S   CT   _C19    82     1.55292   111.13997    57.87411
   73    72 S   HC   _H4_    83     1.09146   107.20030    62.55632
   74    69 S   OH   _O34    46     1.36989   121.17529    -2.34034
   75    74 S   HO   _H17    47     0.96775   109.91324  -180.00000
   76    70 S   C    _C7_    50     1.40157   128.14459    30.08306
   77    76 S   O    _O33    51     1.22700   126.99633     0.17132
   78    72 S   CT   _C20    84     1.54641   110.51700  -180.00000
   79    78 S   HC   _H5_    85     1.09270   110.43836   -43.77604
   80    76 S   CT1  _C6_    52     1.51209   111.01225   180.00000
   81    80 S   HC   _H13    53     1.09335   110.61895   119.97173
   82    80 S   HC   _H14    54     1.09377   110.25407    -2.45567
   83    78 S   CMA  _C21    86     1.53098   114.36031    76.83538
   84    83 S   OM   _O39    87     1.26582   109.76193  -157.47985
   85    78 S   NP   _N7_    99     1.50673   108.45207  -157.83054
   86    85 S   H    _H26   100     1.02353   105.84355   -46.97275
   87    80 S   NP   _N4_    55     1.48281   111.53794  -121.16928
   88    87 S   H    _H9_    56     1.03415   107.85892   -61.03450
   89    83 S   CM   _C22    88     1.35451   119.46486    21.59414
   90    85 S   CT   _C27   101     1.49491   111.34894    69.72245
   91    90 S   HC   _H27   102     1.09160   107.78514    64.37149
   92    90 S   HC   _H28   103     1.09114   107.82393  -175.57159
   93    90 S   HC   _H29   104     1.09164   107.79287   -55.51510
   94    85 S   CT   _C28   105     1.49567   111.28429  -163.55762
   95    94 S   HC   _H30   106     1.09125   107.78962   -64.47131
   96    94 S   HC   _H31   107     1.09110   107.85740    55.60520
   97    94 S   HC   _H32   108     1.09192   107.82425   175.56147
   98    87 S   CT   _C4_    57     1.50986   112.68761    55.62061
   99    98 S   HC   _H6_    58     1.09139   107.79543    62.25712
  100    98 S   HC   _H7_    59     1.09119   107.83259  -177.74710
  101    98 S   HC   _H8_    60     1.09153   107.79174   -57.73947
  102    87 S   CT   _C5_    61     1.50952   112.64968  -177.66125
  103   102 S   HC   _H10    62     1.09163   107.79958   -62.32024
  104   102 S   HC   _H11    63     1.09139   107.84921    57.75343
  105   102 S   HC   _H12    64     1.09150   107.81220   177.75014
  106    89 S   CO4  _C23    89     1.50211   123.05015     0.95491
  107   106 S   O    _O35    90     1.23152   118.26348  -177.77859
  108    89 S   C    _C26    94     1.48040   118.07269  -178.89323
  109   108 S   O    _O38    95     1.21991   121.04331   -59.97537
  110   108 S   N    _N6_    96     1.36847   112.80578   119.98144
  111   110 S   H    _H24    97     1.01464   118.34156    -0.00000
  112   110 S   H    _H25    98     1.01519   123.30079  -179.96574
  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
  19   2   1   1  20  19   6   1  12   8   2  15   4   1  15  18
  11   4   3  10   4   9   7   4   8   7   3   2   1   3   2   1
   1   9   4   3   5   8   3  12   5   1   1   8   4  16   7  12
   5   4  11   4  10   8   9   8   7   7   3   2   1   3   2   1
   1   7   3   2   1   3   2   1   1   4   1   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    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    41    55    72   106    38    42    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    44    49    55    56    66    72    73    78    89   106   107    38    42    43    45    39    40  
   35    36  
   36  
    0  
   41    44    47    69    49    50    51    55    56    66    67    68    72   106    38    42    45    46    39    40  
   42    43   108    85    39    40    41    55    66    67    68    72    73    78    79    83    89   106   107  
   40    41    42    55    72   106  
    0  
   44    47    48    57    69    74    49    55    56    66    45    46  
   43    66    72    73    78    89   106   107  
   72   106  
   47    48    52    57    69    74    75    70    54    49    50    51    55    45    46  
   46    47    55    69  
    0  
   48    52    53    57    69    74    54    58    62    49    50    51    55    56    66  
   52    53    57    69    70    54    58    59    60    61    62    63    64    65    49    50    51    55  
   50    51    55    56    66    67    68    72    52    54    69  
   51    55    56    66  
   55    56    66  
   53    57    69    74    70    71    76    54    58    62  
   57    69    70    54  
   58    59    60    61    62    63    64    65    57  
   56    66    67    68    72    73    78  
   66    67    68    72  
   69    74    75    70    71    76    77    80  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62  
   63    64    65  
   64    65  
   65  
    0  
   67    68    72    73    78    79    83   106    85  
   68    72    73    78  
   72    73    78  
   74    75    70    71    76  
   71    76    77    80    81    82    87    74  
   76    77    80  
   73    78    79    83    84    89   106   107    85    86    90    94  
   78    79    83   106    85  
   75  
    0  
   77    80    81    82    87    88    98   102  
   80    81    82    87  
   79    83    84    89   106   108    85    86    90    91    92    93    94    95    96    97  
   83    84    89    85    86    90    94  
   81    82    87    88    98    99   100   101   102   103   104   105  
   82    87    88    98   102  
   87    88    98   102  
   84    89   106   107   108   109   110    85    86    90    94  
   89   106   108    85  
   86    90    91    92    93    94    95    96    97    89  
   90    91    92    93    94    95    96    97  
   88    98    99   100   101   102   103   104   105  
   98    99   100   101   102   103   104   105  
  106   107   108   109   110   111   112  
   91    92    93    94    95    96    97  
   92    93    94  
   93    94  
   94  
   95    96    97  
   96    97  
   97  
    0  
   99   100   101   102   103   104   105  
  100   101   102  
  101   102  
  102  
  103   104   105  
  104   105  
  105  
    0  
  107   108   109   110  
  108  
  109   110   111   112  
  110   111   112  
  111   112  
  112  
    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   0.432500   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   71   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   78   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   84   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   85   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   86   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
   88   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   90   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   94   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   98   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  102   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  108   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  109   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
  110   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
  111   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
  112   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    39   320.000  1.410
   37    41   549.000  1.340
   37    55   317.000  1.510
   41    44   320.000  1.460
   41    45   510.000  1.338
   44    47   469.000  1.400
   44    69   469.000  1.400
   47    48   469.000  1.400
   47    49   317.000  1.510
   48    52   469.000  1.400
   48    54   481.000  1.340
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    69   469.000  1.400
   57    70   360.000  1.404
   69    74   450.000  1.364
   74    75   553.000  0.945
   70    71   434.000  1.010
   70    76   490.000  1.335
   76    77   570.000  1.229
   76    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   367.000  1.471
   87    88   434.000  1.010
   87    98   367.000  1.471
   87   102   367.000  1.471
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   54    58   382.000  1.448
   54    62   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    38   268.000  1.529
   78    79   340.000  1.090
   78    83   270.000  1.512
   78    85   367.000  1.471
   83    84   745.000  1.250
   83    89   465.000  1.376
   89   106   320.000  1.462
   89   108   410.000  1.444
  106   107   570.000  1.229
  106    38   317.000  1.522
   38    42   320.000  1.410
   42    43   553.000  0.945
  108   109   570.000  1.229
  108   110   490.000  1.335
  110   111   434.000  1.010
  110   112   434.000  1.010
   85    86   434.000  1.010
   85    90   367.000  1.471
   85    94   367.000  1.471
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   45    46   553.000  0.945
   39    40   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    41    70.00000  124.00000
   33    37    55    65.00000  117.92700
   33    38    72    58.35000  112.70000
   33    38   106    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    39    40    55.00000  108.50000
   37    41    44    60.00000  123.20500
   37    41    45    80.00000  121.38400
   37    55    49    70.00000  112.02700
   37    55    56    35.00000  109.50000
   37    55    66    70.00000  112.02700
   41    44    47    60.00000  120.93500
   41    44    69    60.00000  120.93500
   41    45    46    70.00000  107.45700
   44    47    48    63.00000  120.00000
   44    47    49    70.00000  120.00000
   44    69    57    63.00000  120.00000
   44    69    74    70.00000  120.00000
   47    48    52    63.00000  120.00000
   47    48    54    70.00000  120.10000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    55    70.00000  112.17500
   48    52    53    35.00000  120.00000
   48    52    57    63.00000  120.00000
   48    54    58    50.00000  120.00000
   48    54    62    50.00000  120.00000
   52    57    69    63.00000  120.00000
   52    57    70    70.00000  119.01900
   57    52    53    35.00000  120.00000
   57    69    74    70.00000  120.00000
   57    70    71    45.00000  118.23600
   57    70    76    65.00000  121.96500
   69    44    47    63.00000  120.00000
   69    74    75    35.00000  113.00000
   70    57    69    70.00000  119.01900
   70    76    77    80.00000  122.90000
   70    76    80    70.00000  116.60000
   76    70    71    35.00000  119.80000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    87    80.00000  111.20000
   80    76    77    80.00000  120.40000
   80    87    88    35.00000  109.50000
   80    87    98    75.00000  113.01200
   80    87   102    75.00000  113.01200
   82    80    81    33.00000  107.80000
   87    80    81    35.00000  109.50000
   87    80    82    35.00000  109.50000
   87    98    99    35.00000  109.50000
   87    98   100    35.00000  109.50000
   87    98   101    35.00000  109.50000
   87   102   103    35.00000  109.50000
   87   102   104    35.00000  109.50000
   87   102   105    35.00000  109.50000
   98    87    88    35.00000  109.50000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  102    87    88    35.00000  109.50000
  102    87    98    75.00000  113.01200
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   54    48    52    70.00000  120.10000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   54    62    63    35.00000  109.50000
   54    62    64    35.00000  109.50000
   54    62    65    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    58    50.00000  115.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   49    47    48    70.00000  120.00000
   49    55    56    37.50000  110.70000
   49    55    66    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    37    41    70.00000  124.00000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    66    67    37.50000  110.70000
   55    66    68    37.50000  110.70000
   55    66    72    58.35000  112.70000
   66    55    56    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    78    58.35000  112.70000
   66    72    38    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    83    70.00000  112.02700
   72    78    85    80.00000  111.20000
   72    38   106    63.00000  111.10000
   72    38    42    50.00000  109.50000
   78    72    73    37.50000  110.70000
   78    83    84    85.00000  112.85300
   78    83    89    65.00000  122.18000
   78    85    86    35.00000  109.50000
   78    85    90    75.00000  113.01200
   78    85    94    75.00000  113.01200
   83    78    79    45.00000  110.52000
   83    89   106    60.00000  125.92000
   83    89   108    60.00000  120.04000
   89    83    84    65.00000  137.10300
   89   106   107    80.00000  123.72100
   89   106    38    65.00000  118.62400
   89   108   109    80.00000  125.30000
   89   108   110    80.00000  111.56200
  106    38    42    90.00000  109.61100
   38    33    37    70.00000  112.02700
   38    72    73    37.50000  110.70000
   38    72    78    58.35000  112.70000
   38   106   107    80.00000  120.40000
   38    42    43    55.00000  108.50000
  108    89   106    55.00000  123.68000
  108   110   111    35.00000  119.80000
  108   110   112    35.00000  119.80000
  110   108   109    80.00000  122.90000
  112   110   111    35.00000  120.00000
   85    78    79    35.00000  109.50000
   85    78    83    75.00000  110.06800
   85    90    91    35.00000  109.50000
   85    90    92    35.00000  109.50000
   85    90    93    35.00000  109.50000
   85    94    95    35.00000  109.50000
   85    94    96    35.00000  109.50000
   85    94    97    35.00000  109.50000
   90    85    86    35.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   94    85    86    35.00000  109.50000
   94    85    90    75.00000  113.01200
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   45    41    44    85.00000  114.86500
   39    33    37    90.00000  110.39200
   39    33    38    50.00000  109.50000
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
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   38    72   -78    83   0.11100  1.0 3.0
   38    72    78    85   1.36600  1.0 1.0
   38    72    78    85  -0.11450 -1.0 2.0
   38    72    78    85   0.24250  1.0 3.0
  108    89   106   107   2.50000 -1.0 2.0
  108    89   106    38   1.50000 -1.0 2.0
  109   108   110   111   2.45000 -1.0 2.0
  109   108   110   112   2.45000 -1.0 2.0
   85    78    83    84   0.09700  1.0 1.0
   85    78    83    84   0.15600 -1.0 2.0
   85    78    83    84  -0.50800  1.0 3.0
   85    78    83    89   0.80850  1.0 1.0
   85    78    83    89  -0.47300 -1.0 2.0
   85    78    83    89  -0.52300  1.0 3.0
   86    85    90    91   0.13050  1.0 3.0
   86    85    90    92   0.13050  1.0 3.0
   86    85    90    93   0.13050  1.0 3.0
   86    85    94    95   0.13050  1.0 3.0
   86    85    94    96   0.13050  1.0 3.0
   86    85    94    97   0.13050  1.0 3.0
   90    85    94    95   0.15000  1.0 3.0
   90    85    94    96   0.15000  1.0 3.0
   90    85    94    97   0.15000  1.0 3.0
   94    85    90    91   0.15000  1.0 3.0
   94    85    90    92   0.15000  1.0 3.0
   94    85    90    93   0.15000  1.0 3.0
   45    41    44    47  -0.01750  1.0 1.0
   45    41    44    47  -0.32000 -1.0 2.0
   45    41    44    47   0.00600  1.0 3.0
   45    41    44    69  -0.01750  1.0 1.0
   45    41    44    69  -0.32000 -1.0 2.0
   45    41    44    69   0.00600  1.0 3.0
   39    33    37    41   0.67800  1.0 1.0
   39    33    37    41   0.47050 -1.0 2.0
   39    33    37    41  -0.62500  1.0 3.0
   39    33    37    55   0.18000  1.0 1.0
   39    33    37    55   0.16450 -1.0 2.0
   39    33    37    55   0.04450  1.0 3.0
   39    33    38    72   0.86500  1.0 1.0
   39    33    38    72  -0.17500 -1.0 2.0
   39    33    38    72   0.20800  1.0 3.0
   39    33    38   106  -0.09450  1.0 1.0
   39    33    38   106  -1.12950 -1.0 2.0
   39    33    38   106   0.54000  1.0 3.0
   39    33    38    42   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    55    37    41   1.10000 -1.0 2.0
   44    45    41    37   1.10000 -1.0 2.0
   47    69    44    41   4.00000 -1.0 2.0
   48    49    47    44   4.00000 -1.0 2.0
   52    54    48    47   4.00000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   69    70    57    52   4.00000 -1.0 2.0
   57    74    69    44   4.00000 -1.0 2.0
   71    76    70    57   1.00000 -1.0 2.0
   70    80    76    77  10.50000 -1.0 2.0
   62    48    54    58   1.00000 -1.0 2.0
   78    84    83    89   1.10000 -1.0 2.0
  106   108    89    83   1.10000 -1.0 2.0
   89    38   106   107  10.50000 -1.0 2.0
   89   110   108   109  10.50000 -1.0 2.0
  112   108   110   111   1.00000 -1.0 2.0
END
