* LIGAND DATABASE FILE (OPLS2005)
*
001      97   101    196    323     591
    1     0 S   NP   _N1_     1    28.81126    93.89169   -20.59431
    2     1 S   H    _HN1     2     1.02778    85.93541   -79.58501
    3     1 S   H    _H1_     3     1.02958    97.60932    28.35800
    4     1 S   H    _H2_     4     1.02838    28.82009   140.26893
    5     1 S   CT   _CA1     5     1.50137   138.28539   161.11298
    6     5 S   HC   _HA1     6     1.09578   105.23816    48.82978
    7     5 S   CO3  _C1_     7     1.53830   112.09187   -71.34514
    8     7 S   O2Z  _O11     8     1.26373   115.00042   -49.42220
    9     7 S   O2Z  _O12     9     1.26235   114.83928   129.34325
   10     5 S   CT   _CB1    10     1.53053   107.38445   166.62611
   11    10 S   HC   HB11    11     1.09827   109.41261   -50.40171
   12    10 S   HC   HB12    12     1.09825   110.42021    66.15093
   13    10 S   CT   _CG1    13     1.53016   112.65327  -171.47767
   14    13 S   HC   HG11    14     1.09557   110.38482   -61.02453
   15    13 S   HC   HG12    15     1.09630   110.12460    58.19476
   16    13 S   C    _CD1    16     1.51805   112.03875   178.42978
   17    16 S   O    _OE1    17     1.22751   123.15185    -7.64082
   18    16 S   N    _N2_    18     1.38624   111.82092   172.65137
   19    18 S   H    _HN2    19     1.01593   119.07063     1.48583
   20    18 S   CT1  _CA2    20     1.46310   123.22019  -177.47307
   21    20 S   HC   _HA2    21     1.09733   109.36158   -12.21850
   22    20 S   C    _C2_    22     1.53380   108.57319  -128.04406
   23    22 S   O    _O2_    23     1.23019   122.17373  -146.66238
   24    20 S   CT   _CB2    32     1.53581   111.28337   109.68810
   25    24 S   HC   HB21    33     1.09248   109.11814    59.12217
   26    24 S   HC   HB22    34     1.09521   110.30821   176.97431
   27    22 S   N    _N3_    24     1.38486   113.39646    40.71820
   28    27 S   H    _HN3    25     1.01531   118.88496    -0.76387
   29    24 S   S    _SG2    35     1.83051   111.08441   -64.12022
   30    27 S   CT   _CA3    26     1.45453   123.52886   175.12846
   31    30 S   HC   HA31    27     1.09519   109.33307    22.44516
   32    30 S   HC   HA32    28     1.09500   107.09899   139.46154
   33    29 S   CT   _C21    36     1.90626   103.30400   149.49219
   34    30 S   CO3  _C3_    29     1.52921   113.04411  -101.10043
   35    34 S   O2Z  _O31    30     1.26409   115.37633   -45.18315
   36    34 S   O2Z  _O32    31     1.26350   115.00260   135.73883
   37    33 S   CT   _C8_    37     1.54684   105.65004   -69.17039
   38    37 S   HC   _H34    38     1.09504   111.49288   170.17073
   39    37 S   HC   _H35    39     1.09407   111.96759    52.56110
   40    33 S   CT   _C10    54     1.54173   109.23294    51.08692
   41    40 S   HC   _H38    55     1.09553   111.59494   -58.59503
   42    40 S   HC   _H39    56     1.09716   109.79887  -173.87538
   43    37 S   CO4  _C6_    40     1.51996   112.45314   -68.69441
   44    43 S   O    _O25    41     1.23005   121.22593   159.85559
   45    43 S   CM   _C4_    42     1.48561   119.25220   -21.69777
   46    45 S   HC   _H32    43     1.08408   117.52045   175.74983
   47    45 S   CM   _C5_    44     1.34094   120.84840    -5.52286
   48    47 S   HC   _H33    45     1.08567   117.39559  -177.47664
   49    33 S   CT   _C17    46     1.60285   111.74455   171.74664
   50    49 S   CT   _C20    47     1.59333   110.12756   -63.36096
   51    50 S   F    _F30    48     1.37924   107.02830    60.86287
   52    49 S   CT   _C24    94     1.56219   111.05272   174.70691
   53    52 S   HC   _H51    95     1.09232   112.95946    71.37877
   54    52 S   HC   _H52    96     1.09385   112.91845   -49.78758
   55    52 S   HC   _H53    97     1.09458   111.91729  -166.88399
   56    50 S   CT   _C13    49     1.56774   111.06344   -54.78685
   57    56 S   HC   _H44    50     1.09403   109.38274   -67.20188
   58    50 S   CT   _C16    69     1.56141   117.08554   175.96862
   59    58 S   HC   _H47    70     1.09551   108.64910   -62.43386
   60    56 S   CT   _C9_    51     1.53819   112.79788    51.20970
   61    60 S   HC   _H36    52     1.09717   109.32139  -171.20529
   62    60 S   HC   _H37    53     1.09614   110.04299    73.03790
   63    56 S   CT   _C14    57     1.53757   108.46598   174.00416
   64    63 S   HC   _H45    58     1.10041   105.58895   -57.50729
   65    58 S   OH   _O29    71     1.41829   112.61910    55.75642
   66    65 S   HO   _H63    72     0.97249   107.87971  -175.83002
   67    63 S   CT   _C11    59     1.52740   119.27612  -175.96022
   68    67 S   HC   _H40    60     1.09583   110.21808   -44.84241
   69    67 S   HC   _H41    61     1.09472   111.94894    75.71424
   70    67 S   CT   _C15    62     1.54288   103.88396  -162.86067
   71    70 S   HC   _H46    63     1.09426   109.28670   134.82485
   72    70 S   CT   _C18    64     1.54029   107.12539     9.77101
   73    63 S   CT   _C19    65     1.54886   113.70575    61.18889
   74    72 S   OS   _O28    77     1.42826   104.20562   -98.15580
   75    72 S   CO4  _C7_    88     1.53498   113.68974   144.53156
   76    75 S   O    _O26    89     1.23245   122.05202   -14.22256
   77    73 S   CT   _C12    66     1.54373   106.92424   -60.90701
   78    77 S   HC   _H42    67     1.09710   109.85708   -65.86081
   79    77 S   HC   _H43    68     1.09542   109.73063   177.17610
   80    73 S   CT   _C25    73     1.55256   113.26652    61.51256
   81    80 S   HC   _H54    74     1.09511   112.42718    68.10540
   82    80 S   HC   _H55    75     1.09120   113.39313   -52.21017
   83    80 S   HC   _H56    76     1.09589   110.62466  -172.45080
   84    74 S   CO   _C22    78     1.42965   107.07926   -21.50310
   85    75 S   CT   _C23    90     1.50845   118.03286   168.56053
   86    85 S   HC   _H48    91     1.09157   109.69443    84.30905
   87    85 S   HC   _H49    92     1.09201   110.91058   -37.53323
   88    85 S   HC   _H50    93     1.09395   109.16706  -156.16783
   89    70 S   OS   _O27    79     1.42512   110.73068  -105.97522
   90    84 S   CT   _C26    80     1.52371   108.85938   135.54508
   91    90 S   HC   _H57    81     1.09520   110.78028   -61.41788
   92    90 S   HC   _H58    82     1.09515   111.29987   179.81443
   93    90 S   HC   _H59    83     1.09503   111.31769    57.70978
   94    84 S   CT   _C27    84     1.52618   109.34668  -103.75052
   95    94 S   HC   _H60    85     1.09523   110.99699    62.69840
   96    94 S   HC   _H61    86     1.09503   111.25339   -56.60480
   97    94 S   HC   _H62    87     1.09524   111.21574  -178.57990
  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
  23   2   1   1  14   6   5  13   6   5   6   3   6   3  10   3
  14  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8
   5   1  12   6   5  13   6  19  13  15   9   4   6   2   1   3
   2   1   1   9   3   2   1   1   8   7   3   2   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    49    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    47    49    50    60    40    41    42    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    47    48    49    50    51    56    60    61    62    40    41    42    58    52    53    54    55  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    49    50    60    40    41    42    52  
   39    43    44    45    49    40  
   43    44    45    49    40  
   41    42    63    52    43    47    49    50    56    57    60    61    62  
   42    49    56    60    61    62  
   49    56    60    61    62  
   44    45    46    47    48    49  
   45    46    47  
   46    47    48    49    50    52  
   47    48    49  
   48    49    50    51    56    58    52    53    54    55  
   49    50    52  
   50    51    56    57    60    63    77    58    59    65    52    53    54    55  
   51    56    57    60    61    62    63    64    67    73    77    78    79    58    59    65    66    52    53    54    55  
   56    57    60    63    77    58    59    65    52  
   53    54    55    56    58  
   54    55  
   55  
    0  
   57    60    61    62    63    64    67    68    69    70    72    73    77    58    59    65    80  
   60    61    62    63    64    67    73    58  
   59    65    66    80    60    63    72    73    77    78    79  
   65    66    73    77    78    79  
   61    62    63    64    67    73  
   62    63  
   63  
   64    67    68    69    70    71    72    73    77    78    79    80    81    82    83    74    89    75  
   67    68    69    70    72    73    77    80  
   66    73    77    78    79  
   77  
   68    69    70    71    72    73    77    80    74    84    89    75  
   69    70    71    72    73    89  
   70    71    72    73    89  
   71    72    73    77    80    74    84    89    90    94    75    76    85  
   72    73    74    84    89    75  
   73    77    78    79    80    81    82    83    74    84    89    90    94    75    76    85    86    87    88  
   77    78    79    80    81    82    83    74    84    89    75    76    85  
   84    89    90    91    92    93    94    95    96    97    75    76    85    77    80  
   76    85    86    87    88    77    80    84    89  
   85    86    87    88  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
   89    90    91    92    93    94    95    96    97  
   86    87    88  
   87    88  
   88  
    0  
   90    91    92    93    94    95    96    97  
   91    92    93    94    95    96    97  
   92    93    94  
   93    94  
   94  
   95    96    97  
   96    97  
   97  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   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    49   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   320.000  1.462
   45    46   340.000  1.080
   45    47   549.000  1.340
   47    48   340.000  1.080
   47    49   317.000  1.510
   49    50   268.000  1.529
   49    52   268.000  1.529
   50    51   367.000  1.332
   50    56   268.000  1.529
   50    58   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    73   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    89   320.000  1.410
   72    73   268.000  1.529
   72    74   320.000  1.410
   72    75   317.000  1.522
   73    77   268.000  1.529
   73    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    58   268.000  1.529
   58    59   340.000  1.090
   58    65   320.000  1.410
   65    66   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   74    84   320.000  1.380
   84    89   320.000  1.380
   84    90   250.000  1.527
   84    94   250.000  1.527
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   75    76   570.000  1.229
   75    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    49    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    49    47    70.00000  112.02700
   33    49    50    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    40    60    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    65.00000  118.62400
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    40.00000  117.72500
   43    45    47    65.00000  118.96000
   45    43    44    80.00000  123.72100
   45    47    48    35.00000  120.00000
   45    47    49    70.00000  124.00000
   47    45    46    35.00000  120.00000
   47    49    50    70.00000  112.02700
   47    49    52    70.00000  112.02700
   49    33    37    58.35000  112.70000
   49    47    48    35.00000  117.00000
   49    50    51    50.00000  109.50000
   49    50    56    58.35000  112.70000
   49    50    58    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    60    58.35000  112.70000
   50    56    63    58.35000  112.70000
   50    58    77    58.35000  112.70000
   50    58    59    37.50000  110.70000
   50    58    65    50.00000  109.50000
   56    50    51    50.00000  109.50000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    40    58.35000  112.70000
   56    63    64    37.50000  110.70000
   56    63    67    58.35000  112.70000
   56    63    73    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    40    41    37.50000  110.70000
   60    40    42    37.50000  110.70000
   62    60    61    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    49    58.35000  112.70000
   40    60    61    37.50000  110.70000
   40    60    62    37.50000  110.70000
   42    40    41    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    60    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    58.35000  112.70000
   63    73    72    58.35000  112.70000
   63    73    77    58.35000  112.70000
   63    73    80    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    89    50.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    73    58.35000  112.70000
   70    72    74    50.00000  109.50000
   70    72    75    63.00000  111.10000
   70    89    84    60.00000  109.50000
   72    70    71    37.50000  110.70000
   72    73    77    58.35000  112.70000
   72    73    80    58.35000  112.70000
   72    74    84    60.00000  109.50000
   72    75    76    80.00000  120.40000
   72    75    85    70.00000  116.00000
   73    63    64    37.50000  110.70000
   73    63    67    58.35000  112.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    58    58.35000  112.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    83    37.50000  110.70000
   77    58    59    37.50000  110.70000
   77    58    65    50.00000  109.50000
   79    77    78    33.00000  107.80000
   58    50    51    50.00000  109.50000
   58    50    56    58.35000  112.70000
   58    77    78    37.50000  110.70000
   58    77    79    37.50000  110.70000
   58    65    66    55.00000  108.50000
   65    58    59    35.00000  109.50000
   80    73    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   74    72    73    50.00000  109.50000
   74    84    89    92.60000  111.55000
   74    84    90    90.00000  108.56700
   74    84    94    90.00000  108.56700
   84    90    91    45.00000  108.72000
   84    90    92    45.00000  108.72000
   84    90    93    45.00000  108.72000
   84    94    95    45.00000  108.72000
   84    94    96    45.00000  108.72000
   84    94    97    45.00000  108.72000
   89    70    71    35.00000  109.50000
   89    70    72    50.00000  109.50000
   90    84    89    90.00000  108.56700
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   94    84    89    90.00000  108.56700
   94    84    90    65.00000  112.71400
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   75    72    73    63.00000  111.10000
   75    72    74    90.00000  108.74100
   75    85    86    35.00000  109.50000
   75    85    87    35.00000  109.50000
   75    85    88    35.00000  109.50000
   85    75    76    80.00000  120.40000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   52    49    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    49    47   0.56750  1.0 1.0
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   89    70    72    73   0.27300  1.0 3.0
   89    70   -72    74   1.11900  1.0 1.0
   89    70   -72    74  -1.16350 -1.0 2.0
   89    70   -72    74  -0.34150  1.0 3.0
   89    70    72    75  -0.09450  1.0 1.0
   89    70    72    75  -1.12950 -1.0 2.0
   89    70    72    75   0.54000  1.0 3.0
   89    84    90    91   0.23400  1.0 3.0
   89    84    90    92   0.23400  1.0 3.0
   89    84    90    93   0.23400  1.0 3.0
   89    84    94    95   0.23400  1.0 3.0
   89    84    94    96   0.23400  1.0 3.0
   89    84    94    97   0.23400  1.0 3.0
   90    84    89    70   0.06250  1.0 1.0
   90    84    89    70  -0.01100 -1.0 2.0
   90    84    89    70   0.28050  1.0 3.0
   90    84    94    95   0.15000  1.0 3.0
   90    84    94    96   0.15000  1.0 3.0
   90    84    94    97   0.15000  1.0 3.0
   94    84    89    70   0.06250  1.0 1.0
   94    84    89    70  -0.01100 -1.0 2.0
   94    84    89    70   0.28050  1.0 3.0
   94    84    90    91   0.15000  1.0 3.0
   94    84    90    92   0.15000  1.0 3.0
   94    84    90    93   0.15000  1.0 3.0
   75    72    73    63  -0.95700  1.0 1.0
   75    72    73    63  -0.18200 -1.0 2.0
   75    72    73    63   0.29450  1.0 3.0
   75    72    73    77  -0.95700  1.0 1.0
   75    72    73    77  -0.18200 -1.0 2.0
   75    72    73    77   0.29450  1.0 3.0
   75    72    73    80  -0.95700  1.0 1.0
   75    72    73    80  -0.18200 -1.0 2.0
   75    72    73    80   0.29450  1.0 3.0
   75    72    74    84  -1.11000  1.0 1.0
   75    72    74    84   0.50250 -1.0 2.0
   75    72    74    84   0.47450  1.0 3.0
   76    75    85    86   0.00000  1.0 1.0
   76    75    85    87   0.00000  1.0 1.0
   76    75    85    88   0.00000  1.0 1.0
   52    49    50    51   0.39650  1.0 1.0
   52    49    50    51  -0.18350 -1.0 2.0
   52    49    50    51   0.41450  1.0 3.0
   52    49    50    56   0.56750  1.0 1.0
   52    49    50    56  -0.07550 -1.0 2.0
   52    49    50    56   0.20000  1.0 3.0
   52    49    50    58   0.56750  1.0 1.0
   52    49    50    58  -0.07550 -1.0 2.0
   52    49    50    58   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
   43    46    45    47   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   72    85    75    76  10.50000 -1.0 2.0
END
