* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    217    352     658
    1     0 S   NP   _N1_     1    28.59734    96.14980   -22.66984
    2     1 S   H    _HN1     2     1.02949    75.07462    15.46860
    3     1 S   H    _H1_     3     1.02828    38.40032   161.11537
    4     1 S   H    _H2_     4     1.02788    98.93345   -91.28707
    5     1 S   CT   _CA1     5     1.50114   143.59255   119.74382
    6     5 S   HC   _HA1     6     1.09573   105.18858    85.27816
    7     5 S   CO3  _C1_     7     1.53788   112.47982   -34.95583
    8     7 S   O2Z  _O11     8     1.26373   115.00827   -42.17979
    9     7 S   O2Z  _O12     9     1.26241   114.94788   136.95062
   10     5 S   CT   _CB1    10     1.53077   107.41977  -156.72960
   11    10 S   HC   HB11    11     1.09834   109.37501   -49.56109
   12    10 S   HC   HB12    12     1.09812   110.44753    67.05176
   13    10 S   CT   _CG1    13     1.52991   112.60534  -170.52821
   14    13 S   HC   HG11    14     1.09580   110.64548   -65.85630
   15    13 S   HC   HG12    15     1.09670   109.77159    53.37788
   16    13 S   C    _CD1    16     1.51798   112.20491   173.84502
   17    16 S   O    _OE1    17     1.22731   123.27570     7.73665
   18    16 S   N    _N2_    18     1.38651   111.68372  -172.36886
   19    18 S   H    _HN2    19     1.01575   118.93392     1.73122
   20    18 S   CT1  _CA2    20     1.46215   123.40515   177.45040
   21    20 S   HC   _HA2    21     1.09741   109.37935     3.64621
   22    20 S   C    _C2_    22     1.53586   108.52603  -111.81703
   23    22 S   O    _O2_    23     1.23059   122.30273  -147.17251
   24    20 S   CT   _CB2    32     1.53533   111.66837   125.68259
   25    24 S   HC   HB21    33     1.09515   109.43337    55.94470
   26    24 S   HC   HB22    34     1.09266   109.54940   174.80552
   27    22 S   N    _N3_    24     1.38333   113.70722    40.22197
   28    27 S   H    _HN3    25     1.01577   119.60118    -3.16372
   29    24 S   S    _SG2    35     1.82986   111.04166   -64.28142
   30    27 S   CT   _CA3    26     1.45285   123.21815   177.18659
   31    30 S   HC   HA31    27     1.09548   107.50006   -64.88516
   32    30 S   HC   HA32    28     1.09557   107.99948    51.55814
   33    29 S   CT   _C22    36     1.89457   103.38570  -169.78935
   34    30 S   CO3  _C3_    29     1.52961   114.07513   173.56538
   35    34 S   O2Z  _O31    30     1.26376   116.07411    -0.64407
   36    34 S   O2Z  _O32    31     1.26426   114.41642   179.41785
   37    33 S   CT   _C8_    37     1.55031   106.43792    72.85864
   38    37 S   HC   _H37    38     1.09485   111.90335   -53.53721
   39    37 S   HC   _H38    39     1.09448   112.13423  -171.55585
   40    33 S   CT   _C13    56     1.54594   108.50858   -46.05038
   41    40 S   HC   _H47    57     1.09622   110.70722    64.42891
   42    40 S   HC   _H48    58     1.09732   110.39853   -53.18018
   43    37 S   CO4  _C4_    40     1.51359   112.35492    68.80097
   44    43 S   O    _O28    41     1.23052   121.47753  -134.49726
   45    43 S   CT   _C7_    42     1.50781   116.77631    51.01223
   46    45 S   HC   _H35    43     1.09414   108.48248    73.40913
   47    45 S   HC   _H36    44     1.09560   108.73562  -169.94341
   48    45 S   CT   _C9_    45     1.52248   110.82585   -49.66252
   49    48 S   HC   _H39    46     1.09600   109.00186   176.46144
   50    48 S   HC   _H40    47     1.09773   108.14056   -70.38619
   51    33 S   CT   _C20    48     1.60388   110.87191  -166.87390
   52    51 S   CT   _C17    49     1.59667   109.04421   174.83582
   53    52 S   HC   _H53    50     1.09805   106.53962    58.05143
   54    51 S   CT   _C23   106     1.55747   111.06375    52.72602
   55    54 S   HC   _H55   107     1.09250   112.70339    66.39654
   56    54 S   HC   _H56   108     1.09365   112.53208   -54.78254
   57    54 S   HC   _H57   109     1.09240   111.95402  -171.72201
   58    52 S   CT   _C15    51     1.55961   112.07501   -56.32426
   59    58 S   HC   _H51    52     1.09416   109.82025   -64.62395
   60    52 S   CT   _C18    72     1.56199   116.67928   172.49606
   61    60 S   HC   _H54    73     1.09552   108.75889   -61.47634
   62    58 S   CT   _C11    53     1.53374   111.20500    54.33275
   63    62 S   HC   _H43    54     1.09713   109.55293  -172.67560
   64    62 S   HC   _H44    55     1.09686   109.99243    71.41924
   65    58 S   CT   _C16    59     1.53931   108.97207   175.60110
   66    65 S   HC   _H52    60     1.10289   105.98142   -59.21032
   67    60 S   OH   _O33    74     1.41878   111.99368    55.99778
   68    67 S   HO   _H74    75     0.97233   107.88567  -175.15718
   69    65 S   CT   _C10    61     1.52324   118.34901  -177.70135
   70    69 S   HC   _H41    62     1.09485   112.14257    76.19211
   71    69 S   HC   _H42    63     1.09588   111.44247   -44.46006
   72    69 S   CT   _C12    64     1.53939   104.22486  -163.61714
   73    72 S   HC   _H45    65     1.09520   108.47504   132.48785
   74    72 S   HC   _H46    66     1.09617   109.78607  -110.56276
   75    72 S   CT   _C19    67     1.55673   106.77229    10.36435
   76    65 S   CT   _C21    68     1.54765   114.21792    59.85948
   77    75 S   CO4  _C5_    80     1.53896   112.83643   144.68947
   78    77 S   O    _O29    81     1.23282   121.54273    -4.30502
   79    75 S   OH   _O34   104     1.42825   107.89821   -98.36377
   80    79 S   HO   _H75   105     0.97305   108.21972   -56.02673
   81    76 S   CT   _C14    69     1.54478   106.42996   -61.16446
   82    81 S   HC   _H49    70     1.09702   110.00572   -64.97577
   83    81 S   HC   _H50    71     1.09464   109.93487   177.85570
   84    76 S   CT   _C24    76     1.55190   113.12819    61.17153
   85    84 S   HC   _H58    77     1.09507   112.45959    69.43213
   86    84 S   HC   _H59    78     1.09151   113.24837   -50.81336
   87    84 S   HC   _H60    79     1.09544   110.73787  -171.12234
   88    77 S   CT   _C26    82     1.52048   117.59570   175.56076
   89    88 S   HC   _H64    83     1.09254   108.81481    75.30280
   90    88 S   HC   _H65    84     1.09368   109.66730   -46.78766
   91    88 S   OS   _O35    85     1.43047   108.62811  -166.00233
   92    91 S   CO4  _C6_    86     1.36533   115.27132  -178.33446
   93    92 S   O    _O30    87     1.22312   125.67876    -0.06256
   94    92 S   CT   _C27    88     1.51123   108.95980   179.94405
   95    94 S   HC   _H66    89     1.09578   108.15467    58.98234
   96    94 S   HC   _H67    90     1.09578   108.15395   -58.99480
   97    94 S   CT   _C29    91     1.52766   111.97847   180.00000
   98    97 S   HC   _H70    92     1.09723   109.65333    58.41981
   99    97 S   HC   _H71    93     1.09723   109.65424   -58.40271
  100    97 S   CT   _C30    94     1.52908   111.35310  -180.00000
  101   100 S   HC   _H72    95     1.09685   109.57211    58.64075
  102   100 S   HC   _H73    96     1.09684   109.57252   -58.63030
  103   100 S   CT   _C28    97     1.52846   111.33290  -179.97202
  104   103 S   HC   _H68    98     1.09623   109.86664   -58.86072
  105   103 S   HC   _H69    99     1.09623   109.86580    58.86763
  106   103 S   CT   _C25   100     1.52036   111.49492  -180.00000
  107   106 S   HC   _H61   101     1.09469   111.00135   -60.25588
  108   106 S   HC   _H62   102     1.09469   111.00094    60.26401
  109   106 S   HC   _H63   103     1.09449   110.26126  -180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  24   2   1   1  15   6   5  13   6   5   8   4   8   5   4  11
   4   3  14  21   9   5   2   1   1  17   8  11   6   6   2   1
  18   8   5   1  11   6   5  11   5   4  16  12  10   5   4   1
   6   2   1   3   2   1   1   6   3   2   6   8   4   9   5   4
   9   5   4   9   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    62    40    41    42    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    58    62    63    64    40    41    42    60    54    55    56    57  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    62    40    41    42    54  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    65    54    43    48    51    52    58    59    62    63    64  
   42    51    58    62    63    64  
   51    58    62    63    64  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    58    60    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    62    65    81    60    61    67    54    55    56    57  
   53    58    59    62    63    64    65    66    69    76    81    82    83    60    61    67    68    54    55    56    57  
   58    59    62    65    81    60    61    67    54  
   55    56    57    58    60  
   56    57  
   57  
    0  
   59    62    63    64    65    66    69    70    71    72    75    76    81    60    61    67    84  
   62    63    64    65    66    69    76    60  
   61    67    68    84    62    65    75    76    81    82    83  
   67    68    76    81    82    83  
   63    64    65    66    69    76  
   64    65  
   65  
   66    69    70    71    72    73    74    75    76    81    82    83    84    85    86    87    77    79  
   69    70    71    72    75    76    81    84  
   68    76    81    82    83  
   81  
   70    71    72    73    74    75    76    81    84    77    79  
   71    72    73    74    75    76  
   72    73    74    75    76  
   73    74    75    76    81    84    77    78    88    79    80  
   74    75    76    77    79  
   75    76    77    79  
   76    81    82    83    84    85    86    87    77    78    88    89    90    91    79    80  
   81    82    83    84    85    86    87    77    78    88    79    80  
   78    88    89    90    91    92    79    80    81    84  
   88    89    90    91    79  
   80    81    84    88  
    0  
   82    83    84    85    86    87  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91    92    93    94  
   90    91    92  
   91    92  
   92    93    94    95    96    97  
   93    94    95    96    97    98    99   100  
   94    95    96    97  
   95    96    97    98    99   100   101   102   103  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100   101   102   103   104   105   106  
   99   100   101   102   103  
  100   101   102   103  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   106  
  103   104   105   106  
  104   105   106   107   108   109  
  105   106   107   108   109  
  106   107   108   109  
  107   108   109  
  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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   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  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   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   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   268.000  1.529
   51    54   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    60   268.000  1.529
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    76   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   268.000  1.529
   75    77   317.000  1.522
   75    79   320.000  1.410
   76    81   268.000  1.529
   76    84   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    60   268.000  1.529
   60    61   340.000  1.090
   60    67   320.000  1.410
   67    68   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   77    78   570.000  1.229
   77    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   320.000  1.410
   91    92   214.000  1.327
   92    93   570.000  1.229
   92    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   79    80   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    40    62    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    58.35000  112.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    58    58.35000  112.70000
   51    52    60    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    62    58.35000  112.70000
   52    58    65    58.35000  112.70000
   52    60    81    58.35000  112.70000
   52    60    61    37.50000  110.70000
   52    60    67    50.00000  109.50000
   58    52    53    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    40    58.35000  112.70000
   58    65    66    37.50000  110.70000
   58    65    69    58.35000  112.70000
   58    65    76    58.35000  112.70000
   62    58    59    37.50000  110.70000
   62    40    41    37.50000  110.70000
   62    40    42    37.50000  110.70000
   64    62    63    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    62    63    37.50000  110.70000
   40    62    64    37.50000  110.70000
   42    40    41    33.00000  107.80000
   65    58    59    37.50000  110.70000
   65    58    62    58.35000  112.70000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    58.35000  112.70000
   65    76    75    58.35000  112.70000
   65    76    81    58.35000  112.70000
   65    76    84    58.35000  112.70000
   69    65    66    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    58.35000  112.70000
   72    75    77    63.00000  111.10000
   72    75    79    50.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    76    81    58.35000  112.70000
   75    76    84    58.35000  112.70000
   75    77    78    80.00000  120.40000
   75    77    88    70.00000  116.00000
   75    79    80    55.00000  108.50000
   76    65    66    37.50000  110.70000
   76    65    69    58.35000  112.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    60    58.35000  112.70000
   76    84    85    37.50000  110.70000
   76    84    86    37.50000  110.70000
   76    84    87    37.50000  110.70000
   81    60    61    37.50000  110.70000
   81    60    67    50.00000  109.50000
   83    81    82    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    58    58.35000  112.70000
   60    81    82    37.50000  110.70000
   60    81    83    37.50000  110.70000
   60    67    68    55.00000  108.50000
   67    60    61    35.00000  109.50000
   84    76    81    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   77    75    76    63.00000  111.10000
   77    88    89    35.00000  109.50000
   77    88    90    35.00000  109.50000
   77    88    91    90.00000  108.74100
   88    77    78    80.00000  120.40000
   88    91    92    83.00000  116.90000
   90    88    89    33.00000  107.80000
   91    88    89    35.00000  109.50000
   91    88    90    35.00000  109.50000
   91    92    93    83.00000  123.40000
   91    92    94    81.00000  111.40000
   92    94    95    35.00000  109.50000
   92    94    96    35.00000  109.50000
   92    94    97    63.00000  111.10000
   94    92    93    80.00000  120.40000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100   102    37.50000  110.70000
   97   100   103    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   103   104    37.50000  110.70000
  100   103   105    37.50000  110.70000
  100   103   106    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    37.50000  110.70000
  103   100   102    37.50000  110.70000
  103   106   107    37.50000  110.70000
  103   106   108    37.50000  110.70000
  103   106   109    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   79    75    76    50.00000  109.50000
   79    75    77    90.00000  109.61100
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
   16    18    20    21   0.00000  1.0 1.0
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   76    81   -60    52   0.20000  1.0 3.0
   76    81    60    61   0.15000  1.0 3.0
   76    81    60    67   0.86500  1.0 1.0
   76    81    60    67  -0.17500 -1.0 2.0
   76    81    60    67   0.20800  1.0 3.0
   81    76    84    85   0.15000  1.0 3.0
   81    76    84    86   0.15000  1.0 3.0
   81    76    84    87   0.15000  1.0 3.0
   81    60    67    68  -0.11600  1.0 1.0
   81    60    67    68  -0.09450 -1.0 2.0
   81    60    67    68   0.21250  1.0 3.0
   82    81    60    52   0.15000  1.0 3.0
   82    81    60    61   0.15000  1.0 3.0
   82    81    60    67   0.23400  1.0 3.0
   83    81    60    52   0.15000  1.0 3.0
   83    81    60    61   0.15000  1.0 3.0
   83    81    60    67   0.23400  1.0 3.0
   60    52    58    59   0.15000  1.0 3.0
   60    52    58    62   0.56750  1.0 1.0
   60    52    58    62  -0.07550 -1.0 2.0
   60    52    58    62   0.20000  1.0 3.0
   60    52   -58    65   0.56750  1.0 1.0
   60    52   -58    65  -0.07550 -1.0 2.0
   60    52   -58    65   0.20000  1.0 3.0
   61    60    67    68   0.19450  1.0 3.0
   84    76    81    82   0.15000  1.0 3.0
   84    76    81    83   0.15000  1.0 3.0
   84    76    81    60   0.56750  1.0 1.0
   84    76    81    60  -0.07550 -1.0 2.0
   84    76    81    60   0.20000  1.0 3.0
   77    75    76    65  -0.95700  1.0 1.0
   77    75    76    65  -0.18200 -1.0 2.0
   77    75    76    65   0.29450  1.0 3.0
   77    75    76    81  -0.95700  1.0 1.0
   77    75    76    81  -0.18200 -1.0 2.0
   77    75    76    81   0.29450  1.0 3.0
   77    75    76    84  -0.95700  1.0 1.0
   77    75    76    84  -0.18200 -1.0 2.0
   77    75    76    84   0.29450  1.0 3.0
   77    75    79    80   0.91850  1.0 1.0
   77    75    79    80   0.57950  1.0 3.0
   77    88    91    92  -1.80650  1.0 1.0
   77    88    91    92   0.63900 -1.0 2.0
   77    88    91    92   0.03650  1.0 3.0
   78    77    88    89   0.00000  1.0 1.0
   78    77    88    90   0.00000  1.0 1.0
   78    77    88    91   0.30150 -1.0 2.0
   88    91    92    93   3.00000 -1.0 2.0
   88    91    92    94   1.63150  1.0 1.0
   88    91    92    94   2.92000 -1.0 2.0
   89    88    91    92   0.08050  1.0 3.0
   90    88    91    92   0.08050  1.0 3.0
   91    92    94    95   0.00000  1.0 1.0
   91    92    94    96   0.00000  1.0 1.0
   91    92    94    97   0.36750  1.0 3.0
   92    94    97    98  -0.11250  1.0 3.0
   92    94    97    99  -0.11250  1.0 3.0
   92    94    97   100  -0.95700  1.0 1.0
   92    94    97   100  -0.18200 -1.0 2.0
   92    94    97   100   0.29450  1.0 3.0
   93    92    94    95   0.00000  1.0 1.0
   93    92    94    96   0.00000  1.0 1.0
   93    92    94    97   0.30150 -1.0 2.0
   94    97   100   101   0.15000  1.0 3.0
   94    97   100   102   0.15000  1.0 3.0
   94    97   100   103   0.56750  1.0 1.0
   94    97   100   103  -0.07550 -1.0 2.0
   94    97   100   103   0.20000  1.0 3.0
   95    94    97    98   0.15000  1.0 3.0
   95    94    97    99   0.15000  1.0 3.0
   95    94    97   100   0.15000  1.0 3.0
   96    94    97    98   0.15000  1.0 3.0
   96    94    97    99   0.15000  1.0 3.0
   96    94    97   100   0.15000  1.0 3.0
   97   100   103   104   0.15000  1.0 3.0
   97   100   103   105   0.15000  1.0 3.0
   97   100   103   106   0.56750  1.0 1.0
   97   100   103   106  -0.07550 -1.0 2.0
   97   100   103   106   0.20000  1.0 3.0
   98    97   100   101   0.15000  1.0 3.0
   98    97   100   102   0.15000  1.0 3.0
   98    97   100   103   0.15000  1.0 3.0
   99    97   100   101   0.15000  1.0 3.0
   99    97   100   102   0.15000  1.0 3.0
   99    97   100   103   0.15000  1.0 3.0
  100   103   106   107   0.15000  1.0 3.0
  100   103   106   108   0.15000  1.0 3.0
  100   103   106   109   0.15000  1.0 3.0
  101   100   103   104   0.15000  1.0 3.0
  101   100   103   105   0.15000  1.0 3.0
  101   100   103   106   0.15000  1.0 3.0
  102   100   103   104   0.15000  1.0 3.0
  102   100   103   105   0.15000  1.0 3.0
  102   100   103   106   0.15000  1.0 3.0
  104   103   106   107   0.15000  1.0 3.0
  104   103   106   108   0.15000  1.0 3.0
  104   103   106   109   0.15000  1.0 3.0
  105   103   106   107   0.15000  1.0 3.0
  105   103   106   108   0.15000  1.0 3.0
  105   103   106   109   0.15000  1.0 3.0
   79    75    76    65   0.86500  1.0 1.0
   79    75    76    65  -0.17500 -1.0 2.0
   79    75    76    65   0.20800  1.0 3.0
   79    75    76    81   0.86500  1.0 1.0
   79    75    76    81  -0.17500 -1.0 2.0
   79    75    76    81   0.20800  1.0 3.0
   79    75    76    84   0.86500  1.0 1.0
   79    75    76    84  -0.17500 -1.0 2.0
   79    75    76    84   0.20800  1.0 3.0
   79    75    77    78   0.30150 -1.0 2.0
   79    75    77    88   0.55300  1.0 1.0
   79    75    77    88   1.25850 -1.0 2.0
   79    75    77    88  -0.23600  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    60   0.56750  1.0 1.0
   54    51    52    60  -0.07550 -1.0 2.0
   54    51    52    60   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   75    88    77    78  10.50000 -1.0 2.0
   91    94    92    93  10.50000 -1.0 2.0
END
