* LIGAND DATABASE FILE (OPLS2005)
*
001     107   110    202    296     578
    1     0 S   NP   _N1_     1    28.82139    97.78282   -22.18452
    2     1 S   H    _HN1     2     1.02952    64.68335    31.52627
    3     1 S   H    _H1_     3     1.02828    52.38209   172.22537
    4     1 S   H    _H2_     4     1.02780    93.03135   -77.40324
    5     1 S   CT   _CA1     5     1.50104   153.98228   116.31916
    6     5 S   HC   _HA1     6     1.09579   105.18100   103.69129
    7     5 S   CO3  _C1_     7     1.53811   112.55762   -16.46522
    8     7 S   O2Z  _O11     8     1.26370   114.96003   -40.54641
    9     7 S   O2Z  _O12     9     1.26255   114.93150   138.60093
   10     5 S   CT   _CB1    10     1.53095   107.42530  -138.34931
   11    10 S   HC   HB11    11     1.09828   109.35511   -50.24285
   12    10 S   HC   HB12    12     1.09812   110.45461    66.40186
   13    10 S   CT   _CG1    13     1.52940   112.53596  -171.25935
   14    13 S   HC   HG11    14     1.09537   110.45269   -66.59390
   15    13 S   HC   HG12    15     1.09674   109.80197    52.54752
   16    13 S   C    _CD1    16     1.51795   112.41051   173.11764
   17    16 S   O    _OE1    17     1.22711   123.33133     7.41288
   18    16 S   N    _N2_    18     1.38648   111.56635  -172.65706
   19    18 S   H    _HN2    19     1.01572   118.83475     1.86938
   20    18 S   CT1  _CA2    20     1.46176   123.54466   176.95425
   21    20 S   HC   _HA2    21     1.09732   109.45374     1.73765
   22    20 S   C    _C2_    22     1.53578   108.33697  -113.67315
   23    22 S   O    _O2_    23     1.23051   122.33335  -147.25007
   24    20 S   CT   _CB2    32     1.53321   111.50386   124.01783
   25    24 S   HC   HB21    33     1.09592   110.06890    54.03210
   26    24 S   HC   HB22    34     1.09442   110.01521   173.22987
   27    22 S   N    _N3_    24     1.38338   113.64618    40.12503
   28    27 S   H    _HN3    25     1.01588   119.55448    -3.27106
   29    24 S   S    _SG2    35     1.82677   111.55634   -67.26095
   30    27 S   CT   _CA3    26     1.45286   123.25823   177.21098
   31    30 S   HC   HA31    27     1.09548   107.48923   -65.12178
   32    30 S   HC   HA32    28     1.09555   108.01914    51.33512
   33    29 S   CT   _C23    36     1.83263    99.94709   166.03041
   34    33 S   HC   _H13    37     1.09696   105.27522   -59.36983
   35    30 S   CO3  _C3_    29     1.52969   114.04104   173.32133
   36    35 S   O2Z  _O31    30     1.26382   116.05007    -1.44212
   37    35 S   O2Z  _O32    31     1.26424   114.42257   178.63341
   38    33 S   CT   _C22    38     1.52302   115.05696    62.12739
   39    38 S   HC   _H12    39     1.09559   112.34529   -56.22389
   40    33 S   OS   _O41    54     1.42654   109.86916  -176.42544
   41    38 S   CO4  _C21    40     1.51549   114.55154    66.43098
   42    41 S   O    _O40    41     1.22163   126.00693   -50.04733
   43    41 S   OS   _O39    42     1.36445   110.78164   131.96555
   44    43 S   CT   _C15    43     1.42229   110.57057     0.46436
   45    44 S   HC   _H11    44     1.09443   109.81693   109.90714
   46    44 S   CM   _C16    45     1.48683   110.00330  -126.03250
   47    46 S   HC   _H19    46     1.08118   123.22494   -71.50920
   48    46 S   CM   _C17    47     1.33769   112.16941   107.54363
   49    48 S   CT   _C13    48     1.51225   111.95384     0.08393
   50    49 S   HC   _H9_    49     1.09953   106.76041   119.62707
   51    48 S   CT   _C18    98     1.49501   125.96596  -179.91153
   52    51 S   HC   _H20    99     1.09590   109.57914   103.80421
   53    51 S   HC   _H21   100     1.09578   111.01367   -16.60926
   54    38 S   CT   _C14    50     1.51871   110.53414  -177.92774
   55    54 S   HC   _H10    51     1.09903   109.71262   100.60965
   56    49 S   CO   _C12    52     1.54279   113.20745  -120.70009
   57    56 S   HC   _H8_    53     1.09528   109.83959    -5.24479
   58    51 S   OS   _O37   101     1.43581   108.67464  -135.91301
   59    56 S   OS   _O36    55     1.43458   107.33880  -122.55839
   60    58 S   CO4  _C19   102     1.36169   115.89526  -165.41086
   61    60 S   O    _O38   103     1.22320   126.29250    -3.14884
   62    59 S   CO   _C11    56     1.43121   112.98091   156.65901
   63    62 S   HC   _H7_    57     1.09843   108.94547    44.94674
   64    60 S   CT   _C20   104     1.49844   109.49339   175.41948
   65    64 S   HC   _H22   105     1.09274   109.62013   -73.09808
   66    64 S   HC   _H23   106     1.09315   109.44386   167.10552
   67    64 S   HC   _H24   107     1.09332   110.04755    48.66168
   68    62 S   CT   _C10    58     1.53421   107.64231   164.22203
   69    68 S   HC   _H6_    59     1.09808   110.62927    52.12962
   70    68 S   CT   _C9_    60     1.53411   111.06821   173.38740
   71    70 S   HC   _H5_    61     1.09797   110.92754    72.14825
   72    68 S   OS   _O42    91     1.44755   108.61763   -68.67876
   73    70 S   CT   _C8_    62     1.53376   110.92256   -49.64871
   74    73 S   HC   _H4_    63     1.09787   109.00467   -69.06077
   75    70 S   OS   _O44    84     1.44875   108.39641  -167.68733
   76    72 S   CO4  _C24    92     1.36127   118.20554    97.48754
   77    76 S   O    _O43    93     1.22289   126.67370     0.46436
   78    73 S   CT   _C7_    64     1.53390   109.82503    51.61678
   79    78 S   HC   _H3_    65     1.09852   110.45671    61.70794
   80    73 S   OS   _O46    77     1.44414   108.92859   169.89948
   81    75 S   CO4  _C26    85     1.36206   117.96034   -97.47273
   82    81 S   O    _O45    86     1.22268   126.52854    -0.28531
   83    76 S   CT   _C25    94     1.49791   109.31912   179.98022
   84    83 S   HC   _H25    95     1.09265   109.82687   -67.66827
   85    83 S   HC   _H26    96     1.09362   109.46267   172.64998
   86    83 S   HC   _H27    97     1.09231   109.66759    54.04702
   87    62 S   OS   _O35    66     1.42966   109.76067   -75.71147
   88    78 S   CT   _C6_    67     1.53290   112.87709  -178.66543
   89    88 S   HC   _H17    68     1.09623   109.83681   -68.11748
   90    88 S   HC   _H18    69     1.09611   109.90376   171.35984
   91    80 S   CO4  _C28    78     1.36238   117.82281    98.62223
   92    91 S   O    _O47    79     1.22294   126.63214     0.39762
   93    81 S   CT   _C27    87     1.49816   109.42902   179.72164
   94    93 S   HC   _H28    88     1.09290   109.80995   -61.29773
   95    93 S   HC   _H29    89     1.09378   109.36351   179.64890
   96    93 S   HC   _H30    90     1.09297   109.81927    60.61060
   97    88 S   OS   _O34    70     1.43793   109.97739    52.61823
   98    91 S   CT   _C29    80     1.49836   109.39095  -179.61184
   99    98 S   HC   _H31    81     1.09292   109.82319   -60.78498
  100    98 S   HC   _H32    82     1.09378   109.36652  -179.82417
  101    98 S   HC   _H33    83     1.09291   109.81339    61.13506
  102    97 S   CO4  _C5_    71     1.36249   115.47526  -169.34837
  103   102 S   O    _O33    72     1.22371   126.19985    -1.51090
  104   102 S   CT   _C4_    73     1.49817   109.90561   179.72446
  105   104 S   HC   _H14    74     1.09358   110.22691   -40.86633
  106   104 S   HC   _H15    75     1.09372   109.24168  -159.09591
  107   104 S   HC   _H16    76     1.09177   109.70865    80.91195
  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   8   5   4   3
  14   6   2   1   1  14   8   9   8   3   8  10   6  11   4  12
  11   6   8   3   2   4   1   6   2   6   8   5   4  13   6   3
   2   1   1  14   7  15   7   9  14   7   8   5   4   9   6   8
   5   4   3   2   1   1   4   6   3   2   5   4   3   2   1   1
   6   3   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    54    56    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    44    49    54    55    56    57    40    59  
   38    39    41    54    56    40  
   36    37  
   37  
    0  
   39    41    42    43    44    45    46    48    49    50    54    55    56    40  
   41    42    43    44    49    54    55    40  
   59    62    41    48    49    50    54    56    57  
   42    43    44    45    46    49    54    55  
   43    44    54  
   44    45    46    47    48    49    54    55  
   45    46    47    48    49    50    54    55    56    51  
   46    47    48    49    54    55  
   47    48    49    50    54    55    56    51    52    53    58  
   48    49    54    51  
   49    50    54    55    56    57    59    51    52    53    58    60  
   50    54    55    56    57    59    62    51    52    53    58  
   54    55    56    57    59    51  
   52    53    58    60    61    64    54    56  
   53    58    60  
   58    60  
   55    56    57    59  
   56  
   57    59    62    63    68    87  
   59    62  
   60    61    64    65    66    67  
   62    63    68    69    70    78    87    72  
   61    64    65    66    67  
   64    65    66    67  
   63    68    69    70    71    73    78    79    87    88    75    72    76  
   68    69    70    78    87    72  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    73    74    78    87    80    75    81    72    76    77    83  
   70    71    73    87    75    72    76  
   71    73    74    78    79    87    88    80    91    75    81    82    93    72    76  
   73    74    78    80    75    81    72  
   76    77    83    84    85    86    73    75    87  
   74    78    79    87    88    89    90    97    80    91    92    98    75    81  
   78    79    87    88    80    91    75  
   81    82    93    94    95    96    78    80  
   77    83    84    85    86  
   83    84    85    86  
   79    87    88    89    90    97   102    80    91  
   87    88    89    90    97    80  
   91    92    98    99   100   101    87    88  
   82    93    94    95    96  
   93    94    95    96  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    97  
   89    90    97   102   103   104  
   90    97   102  
   97   102  
   92    98    99   100   101  
   98    99   100   101  
   94    95    96  
   95    96  
   96  
    0  
  102   103   104   105   106   107  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107  
  106   107  
  107  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5000   0.0660   0.190000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   2.4200   0.0150   0.060000   1.3810   1.2100   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    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    54   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    54   268.000  1.529
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   317.000  1.510
   48    51   317.000  1.510
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    56   250.000  1.527
   54    55   340.000  1.090
   56    57   340.000  1.090
   56    40   320.000  1.380
   56    59   320.000  1.380
   59    62   320.000  1.380
   62    63   340.000  1.090
   62    68   250.000  1.527
   62    87   320.000  1.380
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   70    73   268.000  1.529
   70    75   320.000  1.410
   73    74   340.000  1.090
   73    78   268.000  1.529
   73    80   320.000  1.410
   78    79   340.000  1.090
   78    87   320.000  1.410
   78    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    97   320.000  1.410
   97   102   214.000  1.327
  102   103   570.000  1.229
  102   104   317.000  1.522
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   80    91   214.000  1.327
   91    92   570.000  1.229
   91    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   75    81   214.000  1.327
   81    82   570.000  1.229
   81    93   317.000  1.522
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   72    76   214.000  1.327
   76    77   570.000  1.229
   76    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   320.000  1.410
   58    60   214.000  1.327
   60    61   570.000  1.229
   60    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    54    58.35000  112.70000
   33    40    56    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    81.00000  111.40000
   38    54    44    58.35000  112.70000
   38    54    49    58.35000  112.70000
   38    54    55    37.50000  110.70000
   41    38    39    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    54    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    48    70.00000  124.00000
   44    54    49    58.35000  112.70000
   44    54    55    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    48    49    70.00000  124.00000
   46    48    51    70.00000  124.00000
   48    46    47    35.00000  120.00000
   48    49    50    35.00000  109.50000
   48    49    54    70.00000  112.02700
   48    49    56    70.00000  112.02700
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    58    85.00000  110.90400
   49    54    55    37.50000  110.70000
   49    56    57    45.00000  112.01100
   49    56    40    90.00000  108.56700
   49    56    59    90.00000  108.56700
   54    38    39    37.50000  110.70000
   54    38    41    63.00000  111.10000
   54    44    45    37.50000  110.70000
   54    44    46    70.00000  112.02700
   54    49    50    37.50000  110.70000
   56    49    50    45.00000  108.72000
   56    49    54    75.00000  109.43000
   56    59    62   100.00000  109.58800
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    56    57    35.00000  109.50000
   59    56    57    35.00000  109.50000
   59    56    40    92.60000  111.55000
   59    62    63    35.00000  109.50000
   59    62    68    90.00000  108.56700
   59    62    87    92.60000  111.55000
   62    68    69    45.00000  108.72000
   62    68    70    75.00000  109.43000
   62    68    72    90.00000  109.38000
   62    87    78    60.00000  109.50000
   68    62    63    45.00000  112.01100
   68    70    71    37.50000  110.70000
   68    70    73    58.35000  112.70000
   68    70    75    50.00000  109.50000
   68    72    76    83.00000  116.90000
   70    68    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    78    58.35000  112.70000
   70    73    80    50.00000  109.50000
   70    75    81    83.00000  116.90000
   73    70    71    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    87    50.00000  109.50000
   73    78    88    58.35000  112.70000
   73    80    91    83.00000  116.90000
   78    73    74    37.50000  110.70000
   78    88    89    37.50000  110.70000
   78    88    90    37.50000  110.70000
   78    88    97    50.00000  109.50000
   87    62    63    35.00000  109.50000
   87    62    68    90.00000  108.56700
   87    78    79    35.00000  109.50000
   88    78    79    37.50000  110.70000
   88    78    87    50.00000  109.50000
   88    97   102    83.00000  116.90000
   90    88    89    33.00000  107.80000
   97    88    89    35.00000  109.50000
   97    88    90    35.00000  109.50000
   97   102   103    83.00000  123.40000
   97   102   104    81.00000  111.40000
  102   104   105    35.00000  109.50000
  102   104   106    35.00000  109.50000
  102   104   107    35.00000  109.50000
  104   102   103    80.00000  120.40000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   80    73    74    35.00000  109.50000
   80    73    78    50.00000  109.50000
   80    91    92    83.00000  123.40000
   80    91    98    81.00000  111.40000
   91    98    99    35.00000  109.50000
   91    98   100    35.00000  109.50000
   91    98   101    35.00000  109.50000
   98    91    92    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    73    50.00000  109.50000
   75    81    82    83.00000  123.40000
   75    81    93    81.00000  111.40000
   81    93    94    35.00000  109.50000
   81    93    95    35.00000  109.50000
   81    93    96    35.00000  109.50000
   93    81    82    80.00000  120.40000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   72    76    77    83.00000  123.40000
   72    76    83    81.00000  111.40000
   76    83    84    35.00000  109.50000
   76    83    85    35.00000  109.50000
   76    83    86    35.00000  109.50000
   83    76    77    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   51    48    49    65.00000  117.92700
   51    58    60    83.00000  116.90000
   53    51    52    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    53    35.00000  109.50000
   58    60    61    83.00000  123.40000
   58    60    64    81.00000  111.40000
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    67    35.00000  109.50000
   64    60    61    80.00000  120.40000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
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   75    70    73    78  -0.30950 -1.0 2.0
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   75    70    73    80   1.11900  1.0 1.0
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   72    68    70    71   0.23400  1.0 3.0
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   72    68    70    73  -0.30950 -1.0 2.0
   72    68    70    73   0.27300  1.0 3.0
   72    68    70    75   1.11900  1.0 1.0
   72    68    70    75  -1.16350 -1.0 2.0
   72    68    70    75  -0.34150  1.0 3.0
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   77    76    83    84   0.00000  1.0 1.0
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   51    48    49    50   0.34800  1.0 3.0
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   51    48    49    54   0.08550 -1.0 2.0
   51    48    49    54   0.09800  1.0 3.0
   51    48    49    56   0.46850  1.0 1.0
   51    48    49    56   0.08550 -1.0 2.0
   51    48    49    56   0.09800  1.0 3.0
   51    58    60    61   3.00000 -1.0 2.0
   51    58    60    64   1.63150  1.0 1.0
   51    58    60    64   2.92000 -1.0 2.0
   52    51    58    60   0.08050  1.0 3.0
   53    51    58    60   0.08050  1.0 3.0
   58    60    64    65   0.00000  1.0 1.0
   58    60    64    66   0.00000  1.0 1.0
   58    60    64    67   0.00000  1.0 1.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    66   0.00000  1.0 1.0
   61    60    64    67   0.00000  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
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   44    47    46    48   1.10000 -1.0 2.0
   49    51    48    46   1.10000 -1.0 2.0
   97   104   102   103  10.50000 -1.0 2.0
   80    98    91    92  10.50000 -1.0 2.0
   75    93    81    82  10.50000 -1.0 2.0
   72    83    76    77  10.50000 -1.0 2.0
   58    64    60    61  10.50000 -1.0 2.0
END
