* LIGAND DATABASE FILE (OPLS2005)
*
001     108   112    204    327     608
    1     0 S   NP   _N1_     1    29.87763    99.76021   -19.55102
    2     1 S   H    _HN1     2     1.02781   100.41487  -121.19155
    3     1 S   H    _H1_     3     1.02952    50.69132   -15.93449
    4     1 S   H    _H2_     4     1.02835    61.98317   134.00214
    5     1 S   CT   _CA1     5     1.50070   146.85503    48.69312
    6     5 S   HC   _HA1     6     1.09583   105.25225   129.37942
    7     5 S   CO3  _C1_     7     1.53799   112.42248     9.08919
    8     7 S   O2Z  _O11     8     1.26377   115.00878   -43.89709
    9     7 S   O2Z  _O12     9     1.26222   114.96040   135.37910
   10     5 S   CT   _CB1    10     1.53112   107.45874  -112.61380
   11    10 S   HC   HB11    11     1.09817   109.46769   -49.89882
   12    10 S   HC   HB12    12     1.09806   110.50273    66.82550
   13    10 S   CT   _CG1    13     1.52850   112.36598  -170.87073
   14    13 S   HC   HG11    14     1.09584   110.55487   -63.11001
   15    13 S   HC   HG12    15     1.09628   109.78855    55.96941
   16    13 S   C    _CD1    16     1.51747   112.59999   176.15203
   17    16 S   O    _OE1    17     1.22675   123.66586    -2.03423
   18    16 S   N    _N2_    18     1.38469   111.27943   178.61252
   19    18 S   H    _HN2    19     1.01586   118.72790    -5.81467
   20    18 S   CT1  _CA2    20     1.45714   123.38663  -178.68062
   21    20 S   HC   _HA2    21     1.09744   108.02499    37.23600
   22    20 S   C    _C2_    22     1.53141   111.24234   -79.72727
   23    22 S   O    _O2_    23     1.23176   120.80087   160.05679
   24    20 S   CT   _CB2    32     1.53349   111.36800   159.54843
   25    24 S   HC   HB21    33     1.09607   111.28501    59.40659
   26    24 S   HC   HB22    34     1.09581   109.81757   177.26169
   27    22 S   N    _N3_    24     1.38171   114.88234   -27.04505
   28    27 S   H    _HN3    25     1.01522   119.12959     7.37379
   29    24 S   S    _SG2    35     1.82553   111.48234   -64.28991
   30    27 S   CT   _CA3    26     1.45374   122.35529  -176.03182
   31    30 S   HC   HA31    27     1.09576   108.09741   -56.40778
   32    30 S   HC   HA32    28     1.09580   107.63675    59.48958
   33    29 S   CT   _C27    36     1.83446   100.27729   111.14571
   34    33 S   HC   _H3_    37     1.09751   105.60422    61.63424
   35    30 S   CO3  _C3_    29     1.52559   113.14376  -177.58297
   36    35 S   O2Z  _O31    30     1.26367   115.17500    57.05961
   37    35 S   O2Z  _O32    31     1.26293   115.26790  -122.50338
   38    33 S   CT   _C19    38     1.53975   110.72195   179.33442
   39    38 S   HC   _H53    39     1.09885   106.82831   -59.86827
   40    38 S   CT   _C20    40     1.54880   109.89048  -176.81218
   41    40 S   HC   _H54    41     1.09871   106.42151    65.27934
   42    38 S   CO4  _C14   102     1.53021   113.68537    56.10723
   43    42 S   O    _O30   103     1.22623   122.76834  -132.06195
   44    40 S   CT   _C18    42     1.55597   111.07096   -49.73521
   45    44 S   HC   _H52    43     1.09847   108.29921   -71.74084
   46    40 S   CT   _C29    75     1.55521   113.76750  -176.82880
   47    46 S   HC   _H65    76     1.09676   108.45338  -179.57803
   48    46 S   HC   _H66    77     1.09827   108.22648    66.13340
   49    42 S   OS   _O39   104     1.35994   112.07606    49.32498
   50    44 S   CO   _C25    44     1.54873   111.62065    46.99688
   51    50 S   HC   _H59    45     1.09830   110.14701    69.41885
   52    44 S   CM   _C13    70     1.51693   111.10988   169.19790
   53    52 S   HC   _H46    71     1.08764   117.47243   -59.36634
   54    46 S   CT   _C17    78     1.54865   116.24557   -57.18505
   55    54 S   HC   _H51    79     1.09395   110.08808    52.54438
   56    49 S   CT   _C28   105     1.43019   115.70110   179.30733
   57    56 S   HC   _H62   106     1.09268   108.08201  -179.74131
   58    56 S   HC   _H63   107     1.09410   110.24895    61.60255
   59    56 S   HC   _H64   108     1.09412   110.28947   -61.06224
   60    33 S   OS   _O34    46     1.42692   112.47375   -56.48979
   61    50 S   OS1  _O40    47     1.43414   106.66769  -172.16454
   62    52 S   CM   _C12    72     1.33846   124.00984   121.03108
   63    62 S   HC   _H44    73     1.08456   120.50443   179.69610
   64    62 S   HC   _H45    74     1.08457   121.53841     0.03956
   65    54 S   C5A  _C11    80     1.49707   112.73272   -69.14858
   66    61 S   CO1  _C26    48     1.42724   113.96215  -171.81496
   67    66 S   HC   _H60    49     1.09471   108.37421   -58.59103
   68    65 S   C5B  _C9_    81     1.37940   125.70030  -104.38273
   69    65 S   NA   _N28    92     1.36627   126.15963    77.65741
   70    69 S   H    _H69    93     1.01037   125.54086     0.01978
   71    66 S   CT   _C23    50     1.53366   108.05640  -176.68867
   72    71 S   HC   _H57    51     1.09567   110.89587    56.91597
   73    68 S   C56B _C8_    82     1.42108   107.75591   179.51141
   74    68 S   CT   _C15    94     1.48832   121.34355    -2.36869
   75    74 S   HC   _H47    95     1.09554   110.62408   135.26624
   76    74 S   HC   _H48    96     1.09709   108.52747  -106.82975
   77    71 S   CT   _C21    52     1.53003   109.17404   179.32536
   78    77 S   HC   _H55    53     1.09590   107.78987   -67.42865
   79    71 S   OH5  _O37    68     1.43066   109.30103   -59.71819
   80    79 S   HO   _H73    69     0.97327   106.84144  -164.10326
   81    73 S   CA   _C6_    83     1.40916   134.47015  -179.59944
   82    81 S   HA   _H42    84     1.08617   120.72995     0.42011
   83    74 S   CT   _C16    97     1.54308   111.00030    13.31113
   84    83 S   HC   _H49    98     1.09643   109.98537    81.62395
   85    83 S   HC   _H50    99     1.09598   108.62641  -162.47689
   86    77 S   CT   _C22    54     1.53570   112.04306    52.30833
   87    86 S   HC   _H56    55     1.09571   109.48884  -172.98292
   88    77 S   OH5  _O35    66     1.42445   109.65759   176.33777
   89    88 S   HO   _H71    67     0.97285   107.25077  -178.78035
   90    81 S   CA   _C4_    85     1.39952   119.26852  -179.70993
   91    90 S   HA   _H40    86     1.08688   119.51981  -179.83687
   92    54 S   NT   _N29   100     1.48804   110.22885   169.06931
   93    92 S   H    _H70   101     1.01935   109.40974   -45.44730
   94    86 S   CT   _C24    56     1.53936   109.68479   -51.00718
   95    94 S   HC   _H58    57     1.09700   110.09037   -63.83299
   96    86 S   OH5  _O36    64     1.42869   109.33670    70.53562
   97    96 S   HO   _H72    65     0.97174   107.90012   167.51789
   98    90 S   CA   _C5_    87     1.39329   120.76585     0.24549
   99    98 S   HA   _H41    88     1.08716   119.55022   179.91607
  100    66 S   OS1  _O33    58     1.43201   112.65985    61.83788
  101    94 S   CT   _C30    59     1.52715   112.81352   174.65815
  102   101 S   HC   _H67    60     1.09432   110.97907    50.09063
  103   101 S   HC   _H68    61     1.09461   111.49812   -72.58122
  104    98 S   CA   _C7_    89     1.39780   121.04554     0.10468
  105   104 S   HA   _H43    90     1.08490   120.92048   179.65793
  106   101 S   OH5  _O38    62     1.42581   108.99287   168.88869
  107   106 S   HO   _H74    63     0.97233   106.94148  -178.74181
  108    73 S   C56A _C10    91     1.39866   106.80396     1.12326
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  14   6   2   1   1  16   8  20   9   9   2  15   8  12   5   4
   4  10   4   6   3  13   6   3   2   1   1   2   8   2   1   1
  13  13   6  15   9   3  12   7  12   9   5   4  13   7   4   1
   7   4   4   3   2  12   7   3   1   6   3   1   1   9   6   3
   1   4   3   4   4   3   2   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    60    61    46    42    43    49  
   38    39    40    50    60    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    60    52    46    47    48    54    42    43    49    56  
   40    41    44    60    46    42    43    49  
   41    44    45    50    51    60    61    52    53    62    46    47    48    54    55    65    92    42    43    49  
   44    45    50    52    46    47    48    54    42  
   43    49    56    57    58    59    44    46    60  
   49    56  
   45    50    51    60    61    66    52    53    62    63    64    46    47    48    54  
   50    51    60    61    52    53    62    46  
   47    48    54    55    65    68    69    83    92    93    50    52  
   48    54    55    65    92  
   54    55    65    92  
   56    57    58    59  
   51    60    61    66    67    71   100    52    53    62  
   60    61    66    52  
   53    62    63    64    60    61  
   62    63    64  
   55    65    68    73   108    69    70    74    83    84    85    92    93  
   65    68    69    83    92    93  
   57    58    59  
   58    59  
   59  
    0  
   61    66  
   66    67    71    72    77    94   100    79  
   63    64  
   64  
    0  
   68    73    81   104   108    69    70    74    75    76    83    92    93  
   67    71    72    77    78    86    94    95   100   101    88    79    80  
   71    72    77    94   100    79  
   73    81    82    90   104   108    69    70    74    75    76    83    84    85    92  
   70    74    92    73    81    98   104   105   108  
   73   104   108  
   72    77    78    86    87    94   100    96    88    89    79    80  
   77    78    86   100    88    79    80  
   81    82    90    91    98   104   105   108    74    75    76    83  
   75    76    83    84    85    92    93    81   108  
   76    83    84    85    92  
   83    84    85    92  
   78    86    87    94    95   100   101    96    97    88    89    79    80  
   86    87    94    96    88    89    79  
   80    86    88   100  
    0  
   82    90    91    98    99   104   108  
   90    91    98   108  
   84    85    92    93  
   85    92    93  
   92    93  
   87    94    95   100   101   102   103   106    96    97    88    89  
   94    95   100   101    96    97    88  
   89    94    96  
    0  
   91    98    99   104   105   108  
   98    99   104  
   93  
    0  
   95   100   101   102   103   106   107    96    97  
  100   101   102   103   106    96  
   97   100   101  
    0  
   99   104   105   108  
  104   105   108  
  101   102   103   106  
  102   103   106   107  
  103   106   107  
  106   107  
  105   108  
  108  
  107  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.255000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   69   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   70   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   83   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   92   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   93   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
  100   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  101   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
  105   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
  106   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  108   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    60   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    50   250.000  1.527
   44    52   317.000  1.510
   50    51   340.000  1.090
   50    60   320.000  1.380
   50    61   320.000  1.380
   61    66   370.000  1.399
   66    67   360.000  1.097
   66    71   255.000  1.525
   66   100   370.000  1.399
   71    72   340.000  1.090
   71    77   268.000  1.529
   71    79   355.000  1.421
   77    78   340.000  1.090
   77    86   268.000  1.529
   77    88   355.000  1.421
   86    87   340.000  1.090
   86    94   268.000  1.529
   86    96   355.000  1.421
   94    95   340.000  1.090
   94   100   335.000  1.422
   94   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   106   355.000  1.421
  106   107   580.000  0.967
   96    97   580.000  0.967
   88    89   580.000  0.967
   79    80   580.000  0.967
   52    53   340.000  1.080
   52    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    65   295.000  1.489
   54    92   382.000  1.448
   65    68   520.000  1.370
   65    69   427.000  1.381
   68    73   380.000  1.440
   68    74   295.000  1.494
   73    81   469.000  1.404
   73   108   447.000  1.419
   81    82   367.000  1.080
   81    90   469.000  1.400
   90    91   367.000  1.080
   90    98   469.000  1.400
   98    99   367.000  1.080
   98   104   469.000  1.400
  104   105   367.000  1.080
  104   108   469.000  1.400
  108    69   428.000  1.380
   69    70   434.000  1.010
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    92   382.000  1.448
   92    93   434.000  1.010
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    60    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    60    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    50    75.00000  109.43000
   40    44    52    70.00000  112.02700
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    54    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    45.00000  112.01100
   44    50    60    90.00000  108.56700
   44    50    61    90.00000  108.56700
   44    52    53    35.00000  117.00000
   44    52    62    70.00000  124.00000
   50    44    45    45.00000  108.72000
   50    61    66    90.00000  112.10700
   60    33    34    35.00000  109.50000
   60    33    38    50.00000  109.50000
   60    50    51    35.00000  109.50000
   61    50    51    35.00000  109.50000
   61    50    60    92.60000  111.55000
   61    66    67    60.00000  105.75400
   61    66    71    90.00000  109.70700
   61    66   100   110.00000  113.16000
   66    71    72    45.00000  109.54000
   66    71    77    70.00000  111.10000
   66    71    79    90.00000  109.42000
   66   100    94    90.00000  112.10700
   71    66    67    45.00000  111.65000
   71    77    78    37.50000  110.70000
   71    77    86    58.35000  112.70000
   71    77    88    90.00000  111.45300
   71    79    80    65.00000  108.53500
   77    71    72    37.50000  110.70000
   77    86    87    37.50000  110.70000
   77    86    94    58.35000  112.70000
   77    86    96    90.00000  111.45300
   77    88    89    65.00000  108.53500
   86    77    78    37.50000  110.70000
   86    94    95    37.50000  110.70000
   86    94   100    95.00000  107.88500
   86    94   101    58.35000  112.70000
   86    96    97    65.00000  108.53500
   94    86    87    37.50000  110.70000
   94   101   102    37.50000  110.70000
   94   101   103    37.50000  110.70000
   94   101   106    90.00000  111.45300
  100    66    67    60.00000  105.75400
  100    66    71    90.00000  109.70700
  100    94    95    55.00000  108.98800
  101    94    95    37.50000  110.70000
  101    94   100    95.00000  107.88500
  101   106   107    65.00000  108.53500
  103   101   102    33.00000  107.80000
  106   101   102    60.00000  109.39000
  106   101   103    60.00000  109.39000
   96    86    87    60.00000  109.39000
   96    86    94    90.00000  111.45300
   88    77    78    60.00000  109.39000
   88    77    86    90.00000  111.45300
   79    71    72    60.00000  109.39000
   79    71    77    90.00000  111.45300
   52    44    45    35.00000  109.50000
   52    44    50    70.00000  112.02700
   52    62    63    35.00000  120.00000
   52    62    64    35.00000  120.00000
   62    52    53    35.00000  120.00000
   64    62    63    35.00000  117.00000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    54    55    37.50000  110.70000
   46    54    65    70.00000  113.44400
   46    54    92    56.20000  109.47000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    65    68    55.00000  130.44200
   54    65    69    65.00000  122.56900
   54    92    83    51.80000  107.20000
   54    92    93    35.00000  109.50000
   65    54    55    45.00000  110.47400
   65    68    73    80.00000  105.82900
   65    68    74    55.00000  127.77900
   65    69   108    90.00000  107.14200
   65    69    70    35.00000  120.00000
   68    73    81    50.00000  134.85500
   68    73   108    80.00000  107.43600
   68    74    75    45.00000  111.11700
   68    74    76    45.00000  111.11700
   68    74    83    70.00000  112.62400
   73    81    82    35.00000  120.00000
   73    81    90    63.00000  120.00000
   73   108   104    85.00000  122.70000
   73   108    69    70.00000  104.40000
   81    90    91    35.00000  120.00000
   81    90    98    63.00000  120.00000
   90    81    82    35.00000  120.00000
   90    98    99    35.00000  120.00000
   90    98   104    63.00000  120.00000
   98    90    91    35.00000  120.00000
   98   104   105    35.00000  120.00000
   98   104   108    85.00000  120.00000
  104    98    99    35.00000  120.00000
  104   108    69    70.00000  132.80000
  108    73    81    85.00000  116.20000
  108   104   105    35.00000  120.00000
  108    69    70    35.00000  123.10000
   69    65    68    70.00000  106.30000
   74    68    73    55.00000  128.73000
   74    83    84    37.50000  110.70000
   74    83    85    37.50000  110.70000
   74    83    92    56.20000  109.47000
   76    74    75    33.00000  107.80000
   83    74    75    37.50000  110.70000
   83    74    76    37.50000  110.70000
   83    92    93    35.00000  109.50000
   85    83    84    33.00000  107.80000
   92    54    55    35.00000  109.50000
   92    54    65    75.00000  112.58000
   92    83    84    35.00000  109.50000
   92    83    85    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    56    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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
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   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    46  -0.95700  1.0 1.0
   42    38    40    46  -0.18200 -1.0 2.0
   42    38    40    46   0.29450  1.0 3.0
   42    49    56    57   0.08050  1.0 3.0
   42    49    56    58   0.08050  1.0 3.0
   42    49    56    59   0.08050  1.0 3.0
   43    42    49    56   3.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   44    53    52    62  15.00000 -1.0 2.0
   63    64    62    52  15.00000 -1.0 2.0
   68    69    65    54   4.00000 -1.0 2.0
   73    74    68    65   4.00000 -1.0 2.0
   81   108    73    68   4.00000 -1.0 2.0
   90    82    81    73   1.10000 -1.0 2.0
   98    91    90    81   1.10000 -1.0 2.0
  104    99    98    90   1.10000 -1.0 2.0
  108   105   104    98   1.10000 -1.0 2.0
  104    69   108    73   4.00000 -1.0 2.0
   70    65    69   108   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
