* LIGAND DATABASE FILE (OPLS2005)
*
001     106   111    203    338     610
    1     0 S   NP   _N1_     1    31.21376    98.86702   -26.35800
    2     1 S   H    _HN1     2     1.03475   168.69519  -107.53808
    3     1 S   H    _H1_     3     1.02855    65.91767   -47.27425
    4     1 S   H    _H2_     4     1.02752    66.89177  -170.30710
    5     1 S   CT   _CA1     5     1.50118    79.55380    71.30799
    6     5 S   HC   _HA1     6     1.09543   104.86971   119.21651
    7     5 S   CO3  _C1_     7     1.53643   113.34104    -1.37544
    8     7 S   O2Z  _O11     8     1.26401   115.10004   -31.70094
    9     7 S   O2Z  _O12     9     1.26230   115.00479   147.66963
   10     5 S   CT   _CB1    10     1.52985   107.40564  -122.32378
   11    10 S   HC   HB11    11     1.09519   109.40478   -39.09722
   12    10 S   HC   HB12    12     1.09840   110.51331    76.48598
   13    10 S   CT   _CG1    13     1.53243   113.09503  -161.50233
   14    13 S   HC   HG11    14     1.09536   110.99419   -91.06550
   15    13 S   HC   HG12    15     1.09609   111.47472    28.32687
   16    13 S   C    _CD1    16     1.51566   109.14463   148.86247
   17    16 S   O    _OE1    17     1.22796   121.86576    86.75043
   18    16 S   N    _N2_    18     1.38616   112.50856   -89.69840
   19    18 S   H    _HN2    19     1.01589   119.04831    -5.20853
   20    18 S   CT1  _CA2    20     1.46200   123.55262   171.63114
   21    20 S   HC   _HA2    21     1.09727   109.14239   -13.14720
   22    20 S   C    _C2_    22     1.53850   108.43076  -128.66539
   23    22 S   O    _O2_    23     1.23051   122.21753  -153.70231
   24    20 S   CT   _CB2    32     1.53513   112.06233   109.39825
   25    24 S   HC   HB21    33     1.09407   109.64228    57.00278
   26    24 S   HC   HB22    34     1.09456   109.45406   175.36384
   27    22 S   N    _N3_    24     1.38369   113.83852    33.22428
   28    27 S   H    _HN3    25     1.01432   119.12131    -1.58992
   29    24 S   S    _SG2    35     1.83026   111.75917   -65.48919
   30    27 S   CT   _CA3    26     1.45336   123.47990   178.29349
   31    30 S   HC   HA31    27     1.09549   107.17727   -71.29907
   32    30 S   HC   HA32    28     1.09554   108.27555    45.08588
   33    29 S   CT   _C27    36     1.88965   101.91540   166.70089
   34    30 S   CO3  _C3_    29     1.53077   114.35204   167.21367
   35    34 S   O2Z  _O31    30     1.26442   116.33957    -6.12103
   36    34 S   O2Z  _O32    31     1.26407   114.43329   174.00799
   37    33 S   CO4  _C26    37     1.54069   104.79622    56.53301
   38    37 S   O    _O40    38     1.22905   122.30777   -92.34224
   39    33 S   CT   _C28    95     1.57663   109.84654   -68.35367
   40    39 S   HC   _H7_    96     1.09541   111.59633    17.43537
   41    37 S   CA   _C24    39     1.49534   119.37871    82.57245
   42    39 S   CT   _C35    97     1.53019   115.96456   140.27990
   43    42 S   HC   _H27    98     1.09535   111.14940    48.88167
   44    42 S   HC   _H28    99     1.09245   112.16334   -74.04425
   45    42 S   HC   _H29   100     1.09676   110.50406   166.77532
   46    41 S   CA   _C23    40     1.39819   120.22206     7.73913
   47    46 S   CA   _C22    41     1.40032   120.51217  -177.29702
   48    47 S   HA   _H21    42     1.08751   121.17678  -179.96044
   49    46 S   CO4  _C32    85     1.47748   121.37442     3.76530
   50    49 S   O    _O42    86     1.22711   120.03137  -170.09994
   51    47 S   CA   _C21    43     1.39326   120.32827    -0.53486
   52    51 S   HA   _H20    44     1.08829   118.87173  -179.78602
   53    33 S   CT   _C31    87     1.54355   108.95930   173.74771
   54    53 S   HC   _H9_    88     1.10211   107.64452  -178.86426
   55    51 S   CA   _C20    45     1.40098   120.75991     0.03956
   56    53 S   CT   _C30    89     1.54124   112.97449    63.62538
   57    56 S   HC   _H23    90     1.09869   107.51767   154.47554
   58    56 S   HC   _H24    91     1.09734   112.31994   -90.20337
   59    55 S   CA   _C16    46     1.47365   119.57455  -179.83687
   60    41 S   CA   _C25    82     1.41186   121.20350  -170.18867
   61    56 S   CT   _C29    92     1.53047   112.13677    32.95859
   62    61 S   HC   _H8_    93     1.09629   110.42851   -91.44251
   63    59 S   CA   _C15    47     1.40230   119.63260   104.13059
   64    63 S   HA   _H18    48     1.08840   120.29299    -0.00000
   65    60 S   OH   _O39    83     1.37497   122.25810    -1.56085
   66    65 S   HO   _H22    84     0.97313   109.32770    -0.35882
   67    61 S   OS   _O41    94     1.42397   107.75559    28.06285
   68    61 S   CT   _C33   101     1.52703   111.16117   147.08422
   69    68 S   HC   _H25   102     1.09718   109.60828    49.97322
   70    68 S   HC   _H26   103     1.09777   109.65863   -68.37567
   71    63 S   CA   _C14    49     1.39477   120.90014  -179.73681
   72    71 S   HA   _H17    50     1.08746   118.49561   179.38866
   73    68 S   CO3  _C34   104     1.53359   115.54093   170.37857
   74    73 S   O2Z  _O44   105     1.26123   116.83788    -9.93430
   75    73 S   O2Z  _O43   106     1.26566   113.95764   170.58980
   76    71 S   CA   _C13    51     1.39956   120.31096    -0.19281
   77    76 S   CA   _C18    52     1.39793   120.06375    -0.32325
   78    59 S   CA   _C17    53     1.40908   122.05950   -75.83543
   79    77 S   CO4  _C19    56     1.48513   119.44014  -178.41218
   80    79 S   O    _O37    57     1.22731   119.51238  -165.25512
   81    78 S   OH   _O38    54     1.37422   116.79028    -0.75043
   82    81 S   HO   _H19    55     0.97349   109.26877   176.71986
   83    79 S   CT   _C6_    58     1.52522   117.38333    18.31628
   84    83 S   HC   _H4_    59     1.09929   105.00077    73.72640
   85    83 S   CT   _C7_    60     1.52600   110.72933   -44.69082
   86    85 S   HC   _H5_    61     1.09865   107.66716   166.05878
   87    76 S   CO4  _C12    62     1.48144   118.37393   178.07075
   88    87 S   O    _O36    63     1.22870   120.24574     2.45423
   89    85 S   CT   _C8_    64     1.52996   111.56886   -74.76948
   90    89 S   HC   _H13    65     1.09810   109.52767    68.26727
   91    89 S   HC   _H14    66     1.09699   110.14084  -174.83775
   92    89 S   CT   _C9_    67     1.53007   110.51421   -52.79104
   93    92 S   HC   _H6_    68     1.09553   109.60051   -64.43110
   94    92 S   OS   _O33    69     1.43087   109.73606    56.09052
   95    92 S   CT   _C10    76     1.52861   110.50048   174.74764
   96    95 S   HC   _H15    77     1.09714   109.79426    48.61326
   97    95 S   HC   _H16    78     1.09780   109.59945   -69.64313
   98    83 S   CT   _C5_    70     1.54215   111.12606  -168.87475
   99    98 S   HC   _H3_    71     1.09654   109.39196   -42.14797
  100    95 S   CO3  _C11    79     1.53350   115.47000   168.78881
  101   100 S   O2Z  _O35    80     1.26131   116.77037   -15.00909
  102   100 S   O2Z  _O34    81     1.26556   114.02164   165.85778
  103    98 S   CT   _C4_    72     1.52972   112.95404  -159.81253
  104   103 S   HC   _H10    73     1.09357   112.53690   -57.88924
  105   103 S   HC   _H11    74     1.09533   110.23289  -176.96417
  106   103 S   HC   _H12    75     1.09464   110.73278    62.88375
  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  12   5   4   3
  20   2   1   1  15   5  14   7  12   6   3   2   1  12   9   4
   9   3   7   3   8   4  10   9   5   4  12   4   8   5   8   4
   1   1   4   5   4   3   8   3   2   1   1  11  11   6  12   4
   1   1  16   8  13   7   6   1  10   5   4  11   6  10   6   4
   3   5   4   2   1   1   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    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    53    54    56    67    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    46    60    49    50    53    54    56    57    58    61    67    39    40    42    43    44    45  
   35    36  
   36  
    0  
   38    41    46    47    55    60    65    49    53    54    56    67    39    40    42  
   41    46    60    53    39  
   40    42    43    44    45    68    41    49    53    54    56    61    62    67  
   42    43    44    45    53    61    67  
   46    47    48    51    55    59    60    65    66    49    50    53  
   43    44    45    53    61    67  
   44    45    67  
   45    67  
   67  
   47    48    51    52    55    60    65    49    50    53    54    56  
   48    51    52    55    59    60    49    50    53  
   51    52    55    49  
   50    53    54    56    57    58    61    51    60  
   53    54    56  
   52    55    59    63    78    60    65  
   55    59    60  
   54    56    57    58    61    62    67    68  
   56    57    58    61  
   59    63    64    71    77    78    81    60    65    66  
   57    58    61    62    67    68    69    70    73  
   58    61    62    67    68  
   61    62    67    68  
   63    64    71    72    76    77    78    81    82    79    60    65  
   65    66    63    78  
   62    67    68    69    70    73    74    75  
   67    68    69    70    73  
   64    71    72    76    77    78    81    87  
   71    72    76    78  
   66  
    0  
   68    69    70    73  
   69    70    73    74    75  
   70    73    74    75  
   73    74    75  
   72    76    77    78    79    85    87    88  
   76    77    87  
   74    75  
   75  
    0  
   77    78    81    79    80    83    85    86    87    88    89  
   78    81    82    79    80    83    84    85    87    88    98  
   81    82    79    80    83    87  
   80    83    84    85    86    87    89    94    98    99   103    81  
   83    84    85    98  
   82  
    0  
   84    85    86    87    88    89    90    91    92    94    98    99   103   104   105   106  
   85    86    87    89    94    98    99   103  
   86    87    88    89    90    91    92    93    94    98    99   103    95  
   87    88    89    90    91    92    98  
   88    89    90    91    92    98  
   89  
   90    91    92    93    94    98    95    96    97   100  
   91    92    93    94    95  
   92    93    94    95  
   93    94    98    99   103    95    96    97   100   101   102  
   94    98    95    96    97   100  
   98    99   103   104   105   106    95    96    97   100  
   96    97   100   101   102    98  
   97   100   101   102  
  100   101   102  
   99   103   104   105   106  
  103   104   105   106  
  101   102  
  102  
    0  
  104   105   106  
  105   106  
  106  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  100   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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  1.522
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    46   469.000  1.400
   41    60   469.000  1.400
   46    47   469.000  1.400
   46    49   310.000  1.470
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    59   375.000  1.464
   55    60   469.000  1.400
   59    63   469.000  1.400
   59    78   469.000  1.400
   63    64   367.000  1.080
   63    71   469.000  1.400
   71    72   367.000  1.080
   71    76   469.000  1.400
   76    77   469.000  1.400
   76    87   310.000  1.470
   77    78   469.000  1.400
   77    79   310.000  1.470
   78    81   450.000  1.364
   81    82   553.000  0.945
   79    80   570.000  1.229
   79    83   317.000  1.522
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    98   268.000  1.529
   85    86   340.000  1.090
   85    87   317.000  1.522
   85    89   268.000  1.529
   87    88   570.000  1.229
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    93   340.000  1.090
   92    94   320.000  1.410
   92    95   268.000  1.529
   94    98   320.000  1.410
   98    99   340.000  1.090
   98   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95   100   317.000  1.522
  100   101   656.000  1.250
  100   102   656.000  1.250
   60    65   450.000  1.364
   65    66   553.000  0.945
   49    50   570.000  1.229
   49    53   317.000  1.522
   53    54   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    67   320.000  1.410
   61    68   268.000  1.529
   67    39   320.000  1.410
   39    40   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   317.000  1.522
   73    74   656.000  1.250
   73    75   656.000  1.250
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  110.18000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    53    49    63.00000  111.10000
   33    53    54    37.50000  110.70000
   33    53    56    58.35000  112.70000
   33    39    67    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   37    41    46    60.00000  119.52600
   37    41    60    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    46    47    63.00000  120.00000
   41    46    49    60.00000  119.52600
   41    60    55    63.00000  120.00000
   41    60    65    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    51    63.00000  120.00000
   46    49    50    75.00000  123.78400
   46    49    53    65.00000  115.47100
   47    51    52    35.00000  120.00000
   47    51    55    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    55    59    60.00000  122.76000
   51    55    60    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    59    63    60.00000  122.76000
   55    59    78    60.00000  122.76000
   55    60    65    70.00000  120.00000
   59    63    64    35.00000  120.00000
   59    63    71    63.00000  120.00000
   59    78    77    63.00000  120.00000
   59    78    81    70.00000  120.00000
   63    71    72    35.00000  120.00000
   63    71    76    63.00000  120.00000
   71    63    64    35.00000  120.00000
   71    76    77    63.00000  120.00000
   71    76    87    60.00000  119.52600
   76    71    72    35.00000  120.00000
   76    77    78    63.00000  120.00000
   76    77    79    60.00000  119.52600
   76    87    85    65.00000  115.47100
   76    87    88    75.00000  123.78400
   77    78    81    70.00000  120.00000
   77    79    80    75.00000  123.78400
   77    79    83    65.00000  115.47100
   78    59    63    63.00000  120.00000
   78    81    82    35.00000  113.00000
   79    77    78    60.00000  119.52600
   79    83    84    35.00000  109.50000
   79    83    85    63.00000  111.10000
   79    83    98    63.00000  111.10000
   83    79    80    80.00000  120.40000
   83    85    86    37.50000  110.70000
   83    85    87    63.00000  111.10000
   83    85    89    58.35000  112.70000
   83    98    94    50.00000  109.50000
   83    98    99    37.50000  110.70000
   83    98   103    58.35000  112.70000
   85    83    84    37.50000  110.70000
   85    87    88    80.00000  120.40000
   85    89    90    37.50000  110.70000
   85    89    91    37.50000  110.70000
   85    89    92    58.35000  112.70000
   87    76    77    60.00000  119.52600
   87    85    86    35.00000  109.50000
   89    85    86    37.50000  110.70000
   89    85    87    63.00000  111.10000
   89    92    93    37.50000  110.70000
   89    92    94    50.00000  109.50000
   89    92    95    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   92    94    98    60.00000  109.50000
   92    95    96    37.50000  110.70000
   92    95    97    37.50000  110.70000
   92    95   100    70.00000  109.69300
   94    92    93    35.00000  109.50000
   94    98    99    35.00000  109.50000
   94    98   103    50.00000  109.50000
   98    83    84    37.50000  110.70000
   98    83    85    58.35000  112.70000
   98   103   104    37.50000  110.70000
   98   103   105    37.50000  110.70000
   98   103   106    37.50000  110.70000
  103    98    99    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   95    92    93    37.50000  110.70000
   95    92    94    50.00000  109.50000
   95   100   101    70.00000  117.00000
   95   100   102    70.00000  117.00000
   97    95    96    33.00000  107.80000
  100    95    96    35.00000  109.50000
  100    95    97    35.00000  109.50000
  102   100   101    80.00000  126.00000
   60    41    46    63.00000  120.00000
   60    55    59    60.00000  122.76000
   60    65    66    35.00000  113.00000
   49    46    47    60.00000  119.52600
   49    53    54    35.00000  109.50000
   49    53    56    63.00000  111.10000
   53    33    37    63.00000  111.10000
   53    49    50    80.00000  120.40000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    61    58.35000  112.70000
   56    53    54    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    67    50.00000  109.50000
   56    61    68    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    67    39    60.00000  109.50000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    73    70.00000  109.69300
   67    61    62    35.00000  109.50000
   67    39    40    35.00000  109.50000
   67    39    42    50.00000  109.50000
   39    33    37    63.00000  111.10000
   39    33    53    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   42    39    40    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    67    50.00000  109.50000
   68    73    74    70.00000  117.00000
   68    73    75    70.00000  117.00000
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   75    73    74    80.00000  126.00000
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
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
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   39    33    53    49  -0.18200 -1.0 2.0
   39    33    53    49   0.29450  1.0 3.0
   39    33    53    54   0.15000  1.0 3.0
   39    33   -53    56   0.56750  1.0 1.0
   39    33   -53    56  -0.07550 -1.0 2.0
   39    33   -53    56   0.20000  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   68    61    67    39   0.06250  1.0 1.0
   68    61    67    39  -0.01100 -1.0 2.0
   68    61    67    39   0.28050  1.0 3.0
   69    68    73    74   0.00000  1.0 1.0
   69    68    73    75   0.00000  1.0 1.0
   70    68    73    74   0.00000  1.0 1.0
   70    68    73    75   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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   46    60    41    37   4.00000 -1.0 2.0
   47    49    46    41   4.00000 -1.0 2.0
   51    48    47    46   1.10000 -1.0 2.0
   55    52    51    47   1.10000 -1.0 2.0
   59    60    55    51   4.00000 -1.0 2.0
   63    78    59    55   4.00000 -1.0 2.0
   71    64    63    59   1.10000 -1.0 2.0
   76    72    71    63   1.10000 -1.0 2.0
   77    87    76    71   4.00000 -1.0 2.0
   78    79    77    76   4.00000 -1.0 2.0
   77    81    78    59   4.00000 -1.0 2.0
   77    83    79    80  10.50000 -1.0 2.0
   76    85    87    88  10.50000 -1.0 2.0
  101    95   100   102  10.50000 -1.0 2.0
   55    65    60    41   4.00000 -1.0 2.0
   46    53    49    50  10.50000 -1.0 2.0
   74    68    73    75  10.50000 -1.0 2.0
END
