* LIGAND DATABASE FILE (OPLS2005)
*
001     104   108    202    330     604
    1     0 S   NP   _N1_     1    27.99079    94.78921   -22.20416
    2     1 S   H    _HN1     2     1.02835    27.96933   128.33543
    3     1 S   H    _H1_     3     1.02772    94.22737  -110.46888
    4     1 S   H    _H2_     4     1.02961    89.31410    -2.14009
    5     1 S   CT   _CA1     5     1.50128   138.43179   118.61460
    6     5 S   HC   _HA1     6     1.09576   105.24832    64.15082
    7     5 S   CO3  _C1_     7     1.53799   112.14732   -56.04234
    8     7 S   O2Z  _O11     8     1.26351   114.96788   -47.91031
    9     7 S   O2Z  _O12     9     1.26228   114.86686   130.92669
   10     5 S   CT   _CB1    10     1.53048   107.38865  -178.01446
   11    10 S   HC   HB11    11     1.09827   109.37664   -50.81134
   12    10 S   HC   HB12    12     1.09797   110.41700    65.66830
   13    10 S   CT   _CG1    13     1.53004   112.64162  -171.85083
   14    13 S   HC   HG11    14     1.09563   110.58493   -61.39306
   15    13 S   HC   HG12    15     1.09649   109.96260    57.67939
   16    13 S   C    _CD1    16     1.51846   112.15518   177.77472
   17    16 S   O    _OE1    17     1.22760   123.25533    -6.17711
   18    16 S   N    _N2_    18     1.38515   111.76914   174.44896
   19    18 S   H    _HN2    19     1.01568   118.87134     4.11499
   20    18 S   CT1  _CA2    20     1.45837   122.87398   176.18176
   21    20 S   HC   _HA2    21     1.09724   109.06062    23.23378
   22    20 S   C    _C2_    22     1.52937   106.77926   -93.68910
   23    22 S   O    _O2_    23     1.22981   123.03457   -27.82592
   24    20 S   CT   _CB2    32     1.53133   112.05529   146.69606
   25    24 S   HC   HB21    33     1.09567   109.92901    50.49305
   26    24 S   HC   HB22    34     1.09456   110.15026   169.49468
   27    22 S   N    _N3_    24     1.38495   112.57213   154.81992
   28    27 S   H    _HN3    25     1.01653   120.37374    -1.61374
   29    24 S   S    _SG2    35     1.82805   110.95087   -70.99138
   30    27 S   CT   _CA3    26     1.45355   122.46837   178.73282
   31    30 S   HC   HA31    27     1.09565   107.72709   -57.98459
   32    30 S   HC   HA32    28     1.09566   107.68254    58.33848
   33    29 S   CT   _C16    36     1.84247   100.65212   158.17700
   34    33 S   HC   _H4_    37     1.10077   104.56116   -43.58819
   35    30 S   CO3  _C3_    29     1.52892   114.34040  -179.78694
   36    35 S   O2Z  _O31    30     1.26337   116.06266     1.29754
   37    35 S   O2Z  _O32    31     1.26441   114.41129  -178.72928
   38    33 S   CO4  _C17    38     1.53615   105.49674    68.40188
   39    38 S   O    _O35    39     1.22980   122.09951   -81.93264
   40    38 S   OS   _O36    40     1.35668   116.70494    91.14456
   41    40 S   CT   _C18    41     1.45299   120.93061    45.44876
   42    41 S   HC   _H5_    42     1.09913   105.30776    67.56185
   43    41 S   C5BC _C19    43     1.50954   109.38328   179.50504
   44    41 S   CT   _C5_    51     1.58456   111.37726   -51.91022
   45    43 S   C5BC _C20    44     1.42628   127.91833    31.44354
   46    45 S   HA   _H13    45     1.08094   127.32586     1.01336
   47    44 S   CT   _C6_    52     1.58728   109.77301   172.59686
   48    47 S   HC   _H9_    53     1.09774   109.26326    86.39855
   49    47 S   HC   _H10    54     1.09788   110.14991   -28.59460
   50    44 S   CT   _C4_   101     1.55774   105.46206   -69.78643
   51    50 S   HC   _H6_   102     1.09374   112.19145    44.76569
   52    50 S   HC   _H7_   103     1.09633   111.08881   -74.01087
   53    50 S   HC   _H8_   104     1.08287   114.80046   166.55541
   54    45 S   C5A  _C21    46     1.37430   106.68642  -179.16117
   55    54 S   HA   _H14    47     1.08017   133.82014  -179.73830
   56    47 S   CT   _C7_    55     1.54841   116.80263  -150.57705
   57    56 S   HC   _H11    56     1.09556   109.96236    97.71855
   58    56 S   HC   _H12    57     1.09615   108.47828  -146.68564
   59    54 S   OA   _O37    48     1.35646   110.47238     0.56993
   60    56 S   CT   _C8_    58     1.51630   110.32449   -24.79082
   61    60 S   HC   _H3_    59     1.09247   102.43546   -48.00055
   62    43 S   C5A  _C22    49     1.38206   127.13834  -146.47360
   63    62 S   HA   _H15    50     1.08065   133.40856    -0.86185
   64    60 S   CT   _C9_    60     1.56833   121.22562  -160.92938
   65    60 S   CT   _C14    67     1.57558   113.41859    67.48377
   66    64 S   CT   _C10    61     1.58547   100.25412  -166.66748
   67    33 S   CT   _C15    68     1.57314   118.98091  -163.67575
   68    67 S   OM   _O38    69     1.34437   101.66614   170.87067
   69    65 S   CT   _C23    70     1.58281   114.91185    76.40002
   70    69 S   HC   _H16    71     1.09779   110.48682  -173.47310
   71    69 S   HC   _H17    72     1.09025   114.42874    68.96529
   72    69 S   HC   _H18    73     1.09544   112.40966   -52.25569
   73    64 S   CM   _C27    86     1.53612   109.27591    73.22271
   74    73 S   HC   _H30    87     1.09169   114.60281     0.65192
   75    64 S   CT   _C26    97     1.54767   109.91082   -43.37367
   76    75 S   HC   _H27    98     1.08822   113.98691   -43.05196
   77    75 S   HC   _H28    99     1.09104   113.07907  -164.18821
   78    75 S   HC   _H29   100     1.09782   110.96334    75.79192
   79    66 S   CO4  _C11    62     1.51564   116.74052  -105.20930
   80    79 S   O    _O33    63     1.22623   124.71578   -83.43297
   81    66 S   OH   _O40    84     1.41394   112.45477   130.04105
   82    81 S   HO   _H26    85     0.97484   107.38952    66.00523
   83    73 S   CM   _C28    88     1.34367   131.80094  -177.24139
   84    83 S   HC   _H31    89     1.08864   117.25151   178.07217
   85    79 S   CT   _C12    64     1.50393   112.20407    98.80784
   86    83 S   CO4  _C29    90     1.48175   127.77184    -2.69515
   87    86 S   O    _O41    91     1.21866   126.45593   -11.17713
   88    85 S   OS   _O34    65     1.42869   102.32700    -3.48655
   89    85 S   CT   _C24    76     1.52187   111.26155   114.62512
   90    89 S   HC   _H20    77     1.09520   110.87879  -167.95363
   91    89 S   HC   _H21    78     1.09521   111.46381    70.79506
   92    89 S   HC   _H22    79     1.09379   111.40354   -48.93557
   93    85 S   CT   _C25    80     1.52054   111.89278  -119.59863
   94    93 S   HC   _H23    81     1.09572   110.76788   173.96922
   95    93 S   HC   _H24    82     1.09538   111.21104    55.76709
   96    93 S   HC   _H25    83     1.09493   111.65346   -64.77290
   97    86 S   OS   _O42    92     1.36161   107.20943   169.34497
   98    66 S   CO   _C13    66     1.57875   107.32847     4.26306
   99    97 S   CT   _C30    93     1.43082   115.11757   179.34121
  100    99 S   HC   _H32    94     1.09328   108.10624  -179.87180
  101    99 S   HC   _H33    95     1.09426   110.28709    61.43410
  102    99 S   HC   _H34    96     1.09428   110.29496   -61.17553
  103    98 S   OH   _O39    74     1.41976   111.55251   148.36097
  104   103 S   HO   _H19    75     0.97125   106.94414  -163.68547
  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   9   5   4   3
  14   7   2   1   1   9   3   9  20   7  11  18   6   4  15   7
   6   7   3   2   1   4   2  12   5   4   2  22   8   1   1  21
  16  20   8   2   6   3   2   1  13   4   7   2   1   1  15   6
   5   1   5   3  11   6   2  11   8   3   2   1   4   2   1   1
   4   2   3   2   1   1   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    67    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    65    67    68  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    60    98    65    67    68    69    50  
   38    39    40    44    65    67    68  
   36    37  
   37  
    0  
   39    40    41    42    43    44    65    67    68  
   40    41    67  
   41    42    43    45    62    44    47    67    50  
   42    43    45    46    54    59    62    63    44    47    48    49    56    65    67    68    50    51    52    53  
   43    45    62    44    47    67    50  
   45    46    54    55    59    62    63    44    47    67    50  
   47    48    49    56    57    58    60    98    65    67    68    69    50    51    52    53    45    62  
   46    54    55    59    62    63  
   54    55    59    62  
   48    49    56    57    58    60    61    64    65    67    68    50    51    52    53  
   49    56    57    58    60    67    50  
   56    57    58    60    67    50  
   51    52    53    56    65    67    68  
   52    53    67  
   53    67  
   67  
   55    59    62    63  
   59    62  
   57    58    60    61    64    66    98    65    67    69    73    75  
   58    60    61    64    65  
   60    61    64    65  
   62    63  
   61    64    66    79    88    98    65    67    68    69    70    71    72   103    81    73    74    83    75    76    77    78  
   64    66    98    65    67    69    73    75  
   63  
    0  
   66    79    80    85    88    98    65    67    69   103    81    82    73    74    83    84    86    75    76    77    78  
   67    68    69    70    71    72   103   104    81    73    75    66    79    85    88    98  
   79    80    85    88    98    67    69   103   104    89    93    81    82    73    74    83    75    76    77    78  
   68    69    70    71    72   103    88    98  
   69    98  
   70    71    72   103    88    98  
   71    72    98  
   72    98  
   98  
   74    83    84    86    87    97    75    76    77    78    79    81    98  
   83    84    86    75  
   76    77    78    79    81    83    98  
   77    78  
   78  
    0  
   80    85    88    98   103    89    90    91    92    93    94    95    96    81    82  
   85    88    98    89    93    81  
   82    85    88    98   103  
   98  
   84    86    87    97    99  
   86    87    97  
   88    98   103    89    90    91    92    93    94    95    96  
   87    97    99   100   101   102  
   97    99  
   98   103   104    89    90    91    92    93    94    95    96  
   90    91    92    93    94    95    96    98  
   91    92    93  
   92    93  
   93  
   94    95    96    98  
   95    96  
   96  
    0  
   99   100   101   102  
  103   104  
  100   101   102  
  101   102  
  102  
    0  
  104  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   67   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   89   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   98   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   99   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  103   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
  104   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.522
   33    67   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   41    42   340.000  1.090
   41    43   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    62   546.000  1.367
   45    46   367.000  1.080
   45    54   546.000  1.367
   54    55   367.000  1.080
   54    59   340.000  1.360
   59    62   340.000  1.360
   62    63   367.000  1.080
   44    47   268.000  1.529
   44    67   268.000  1.529
   44    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    65   268.000  1.529
   64    66   268.000  1.529
   64    73   317.000  1.510
   64    75   268.000  1.529
   66    79   317.000  1.522
   66    98   250.000  1.527
   66    81   320.000  1.410
   79    80   570.000  1.229
   79    85   317.000  1.522
   85    88   320.000  1.410
   85    89   268.000  1.529
   85    93   268.000  1.529
   88    98   320.000  1.380
   98    65   250.000  1.527
   98   103   380.000  1.407
   65    67   268.000  1.529
   65    69   268.000  1.529
   67    68   570.000  1.307
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
  103   104   553.000  0.945
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   81    82   553.000  0.945
   73    74   340.000  1.080
   73    83   549.000  1.340
   83    84   340.000  1.080
   83    86   320.000  1.462
   86    87   570.000  1.229
   86    97   214.000  1.327
   97    99   320.000  1.410
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  110.18000
   29    33    67    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    67    44    58.35000  112.70000
   33    67    65    58.35000  112.70000
   33    67    68    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    85.00000  111.85700
   40    41    44    50.00000  109.50000
   41    43    45    60.00000  130.00000
   41    43    62    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    67    58.35000  112.70000
   41    44    50    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    54    70.00000  107.30000
   43    62    59    70.00000  110.60000
   43    62    63    35.00000  132.10000
   45    54    55    35.00000  132.10000
   45    54    59    70.00000  110.60000
   54    45    46    35.00000  125.70000
   54    59    62    70.00000  106.50000
   59    54    55    35.00000  113.40000
   59    62    63    35.00000  113.40000
   62    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    56    58.35000  112.70000
   44    67    65    58.35000  112.70000
   44    67    68    50.00000  109.50000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    60    58.35000  112.70000
   49    47    48    33.00000  107.80000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    64    58.35000  112.70000
   56    60    65    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    64    66    58.35000  112.70000
   60    64    73    70.00000  112.02700
   60    64    75    58.35000  112.70000
   60    65    98    75.00000  109.43000
   60    65    67    58.35000  112.70000
   60    65    69    58.35000  112.70000
   64    60    61    37.50000  110.70000
   64    66    79    63.00000  111.10000
   64    66    98    75.00000  109.43000
   64    66    81    50.00000  109.50000
   64    73    74    35.00000  117.00000
   64    73    83    70.00000  124.00000
   64    75    76    37.50000  110.70000
   64    75    77    37.50000  110.70000
   64    75    78    37.50000  110.70000
   66    79    80    80.00000  120.40000
   66    79    85    70.00000  116.00000
   66    98    88    90.00000  108.56700
   66    98    65    65.00000  112.71400
   66    98   103    90.00000  110.19100
   66    81    82    55.00000  108.50000
   79    85    88    90.00000  108.74100
   79    85    89    63.00000  111.10000
   79    85    93    63.00000  111.10000
   85    79    80    80.00000  120.40000
   85    88    98    60.00000  109.50000
   85    89    90    37.50000  110.70000
   85    89    91    37.50000  110.70000
   85    89    92    37.50000  110.70000
   85    93    94    37.50000  110.70000
   85    93    95    37.50000  110.70000
   85    93    96    37.50000  110.70000
   88    98    65    90.00000  108.56700
   88    98   103   110.00000  112.08000
   98    66    79    63.00000  111.10000
   98    65    67    75.00000  109.43000
   98    65    69    75.00000  109.43000
   98   103   104    70.00000  107.92000
   65    60    61    37.50000  110.70000
   65    60    64    58.35000  112.70000
   65    67    68    50.00000  109.50000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    37.50000  110.70000
   67    33    34    37.50000  110.70000
   67    33    38    63.00000  111.10000
   67    44    47    58.35000  112.70000
   69    65    67    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
  103    98    65    90.00000  110.19100
   89    85    88    50.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    85    88    50.00000  109.50000
   93    85    89    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   81    66    79    90.00000  109.61100
   81    66    98    90.00000  111.58700
   73    64    66    70.00000  112.02700
   73    83    84    35.00000  120.00000
   73    83    86    65.00000  118.96000
   83    73    74    35.00000  120.00000
   83    86    87    80.00000  123.72100
   83    86    97    90.00000  111.29400
   86    83    84    40.00000  117.72500
   86    97    99    83.00000  116.90000
   97    86    87    83.00000  123.40000
   97    99   100    35.00000  109.50000
   97    99   101    35.00000  109.50000
   97    99   102    35.00000  109.50000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   75    64    66    58.35000  112.70000
   75    64    73    70.00000  112.02700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   50    44    47    58.35000  112.70000
   50    44    67    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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
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  103    98    65    60   0.86500  1.0 1.0
  103    98    65    60  -0.17500 -1.0 2.0
  103    98    65    60   0.20800  1.0 3.0
  103    98    65    67   0.86500  1.0 1.0
  103    98    65    67  -0.17500 -1.0 2.0
  103    98    65    67   0.20800  1.0 3.0
  103    98    65    69   0.86500  1.0 1.0
  103    98    65    69  -0.17500 -1.0 2.0
  103    98    65    69   0.20800  1.0 3.0
   89    85    88    98   0.06250  1.0 1.0
   89    85    88    98  -0.01100 -1.0 2.0
   89    85    88    98   0.28050  1.0 3.0
   89    85    93    94   0.15000  1.0 3.0
   89    85    93    95   0.15000  1.0 3.0
   89    85    93    96   0.15000  1.0 3.0
   93    85    88    98   0.06250  1.0 1.0
   93    85    88    98  -0.01100 -1.0 2.0
   93    85    88    98   0.28050  1.0 3.0
   93    85    89    90   0.15000  1.0 3.0
   93    85    89    91   0.15000  1.0 3.0
   93    85    89    92   0.15000  1.0 3.0
   81    66    79    80   0.30150 -1.0 2.0
   81    66    79    85   0.55300  1.0 1.0
   81    66    79    85   1.25850 -1.0 2.0
   81    66    79    85  -0.23600  1.0 3.0
   81    66    98    88   3.69350  1.0 1.0
   81    66    98    88  -1.82950 -1.0 2.0
   81    66    98    65   0.86500  1.0 1.0
   81    66    98    65  -0.17500 -1.0 2.0
   81    66    98    65   0.20800  1.0 3.0
   81    66    98   103   3.75450  1.0 1.0
   73    64    66    79  -0.98800  1.0 1.0
   73    64    66    79   0.48800 -1.0 2.0
   73    64    66    79   0.76800  1.0 3.0
   73    64    66    98   0.34400  1.0 1.0
   73    64    66    98   0.09450 -1.0 2.0
   73    64    66    98   0.11100  1.0 3.0
   73    64    66    81   1.05650  1.0 1.0
   73    64    66    81   0.15600 -1.0 2.0
   73    64    66    81   0.53150  1.0 3.0
   73    64    75    76   0.15000  1.0 3.0
   73    64    75    77   0.15000  1.0 3.0
   73    64    75    78   0.15000  1.0 3.0
   73    83    86    87   1.00000 -1.0 2.0
   73    83    86    97  -0.56150  1.0 1.0
   73    83    86    97   2.19150 -1.0 2.0
   74    73    83    84   7.00000 -1.0 2.0
   74    73    83    86   7.00000 -1.0 2.0
   83    86    97    99   2.00000 -1.0 2.0
   84    83    86    87   0.00000  1.0 1.0
   84    83    86    97   1.63100 -1.0 2.0
   86    97    99   100   0.08050  1.0 3.0
   86    97    99   101   0.08050  1.0 3.0
   86    97    99   102   0.08050  1.0 3.0
   87    86    97    99   3.00000 -1.0 2.0
   75    64    66    79  -0.95700  1.0 1.0
   75    64    66    79  -0.18200 -1.0 2.0
   75    64    66    79   0.29450  1.0 3.0
   75    64    66    98   3.97050  1.0 1.0
   75    64    66    81   0.86500  1.0 1.0
   75    64    66    81  -0.17500 -1.0 2.0
   75    64    66    81   0.20800  1.0 3.0
   75    64    73    74   0.00000  1.0 1.0
   75    64    73    83   0.09850  1.0 1.0
   75    64    73    83   0.15250 -1.0 2.0
   75    64    73    83  -0.50650  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    56   0.56750  1.0 1.0
   50    44    47    56  -0.07550 -1.0 2.0
   50    44    47    56   0.20000  1.0 3.0
   50    44    67    33   0.56750  1.0 1.0
   50    44    67    33  -0.07550 -1.0 2.0
   50    44    67    33   0.20000  1.0 3.0
   50    44    67    65   0.56750  1.0 1.0
   50    44    67    65  -0.07550 -1.0 2.0
   50    44    67    65   0.20000  1.0 3.0
   50    44    67    68   0.62750  1.0 1.0
   50    44    67    68  -0.30950 -1.0 2.0
   50    44    67    68   0.27300  1.0 3.0
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
   33    40    38    39  10.50000 -1.0 2.0
   45    62    43    41   4.00000 -1.0 2.0
   54    46    45    43   1.10000 -1.0 2.0
   59    55    54    45   1.10000 -1.0 2.0
   59    63    62    43   1.10000 -1.0 2.0
   66    85    79    80  10.50000 -1.0 2.0
   64    74    73    83  15.00000 -1.0 2.0
   86    84    83    73  15.00000 -1.0 2.0
   83    97    86    87  10.50000 -1.0 2.0
END
