* LIGAND DATABASE FILE (OPLS2005)
*
001     114   119    220    363     666
    1     0 S   NP   _N1_     1    28.33836    93.21390   -20.51034
    2     1 S   H    _HN1     2     1.02825    35.97773   133.78715
    3     1 S   H    _H1_     3     1.02779    81.54148   -89.00300
    4     1 S   H    _H2_     4     1.02953    93.43125    19.05101
    5     1 S   CT   _CA1     5     1.50136   145.49955   153.71526
    6     5 S   HC   _HA1     6     1.09560   105.24878    46.96114
    7     5 S   CO3  _C1_     7     1.53865   112.31062   -73.42231
    8     7 S   O2Z  _O11     8     1.26396   115.01276   -42.84482
    9     7 S   O2Z  _O12     9     1.26229   114.99402   136.21924
   10     5 S   CT   _CB1    10     1.53075   107.40538   165.10684
   11    10 S   HC   HB11    11     1.09826   109.66809   -47.64924
   12    10 S   HC   HB12    12     1.09824   110.26921    69.00360
   13    10 S   CT   _CG1    13     1.52997   112.60970  -168.59329
   14    13 S   HC   HG11    14     1.09601   110.50332   -60.12702
   15    13 S   HC   HG12    15     1.09638   110.01073    59.15969
   16    13 S   C    _CD1    16     1.51794   112.17143   179.76845
   17    16 S   O    _OE1    17     1.22740   123.27080    -0.60036
   18    16 S   N    _N2_    18     1.38616   111.65044   178.82480
   19    18 S   H    _HN2    19     1.01589   119.09109     3.42720
   20    18 S   CT1  _CA2    20     1.46325   123.33379  -175.63081
   21    20 S   HC   _HA2    21     1.09727   109.33600    -3.78677
   22    20 S   C    _C2_    22     1.53335   108.97298  -119.72632
   23    22 S   O    _O2_    23     1.23041   122.28357  -149.60494
   24    20 S   CT   _CB2    32     1.53597   111.02915   117.75256
   25    24 S   HC   HB21    33     1.09321   108.81292    60.40038
   26    24 S   HC   HB22    34     1.09462   110.38170   179.03897
   27    22 S   N    _N3_    24     1.38350   113.61450    37.94242
   28    27 S   H    _HN3    25     1.01627   119.46698    -3.74188
   29    24 S   S    _SG2    35     1.83151   110.54269   -60.94928
   30    27 S   CT   _CA3    26     1.45278   123.10465   176.94918
   31    30 S   HC   HA31    27     1.09553   107.52930   -63.67247
   32    30 S   HC   HA32    28     1.09560   107.93482    52.71980
   33    29 S   CT   _C29    36     1.91397   102.26232   164.98241
   34    30 S   CO3  _C3_    29     1.52931   114.17346   174.70524
   35    34 S   O2Z  _O31    30     1.26362   116.07615    -0.69661
   36    34 S   O2Z  _O32    31     1.26433   114.40435   179.36573
   37    33 S   CO4  _C13    37     1.52944   103.84109   -58.24812
   38    37 S   O    _O34    38     1.23049   122.40725   -57.18538
   39    33 S   CM   _C14    49     1.51987   107.70236    62.56610
   40    37 S   CA   _C6_    39     1.47534   119.17134   120.91599
   41    39 S   CM   _C10    50     1.46980   112.63298    68.87947
   42    41 S   HC   _H47    51     1.08693   118.61426  -156.84112
   43    40 S   CA   _C4_    40     1.40762   116.54837   174.91909
   44    43 S   HA   _H45    41     1.08795   121.13894    -2.14630
   45    41 S   CM   _C11    52     1.33836   123.11627    25.17743
   46    45 S   HC   _H48    53     1.08819   117.74891  -179.79729
   47    43 S   CA   _C5_    42     1.38861   121.00216   177.88872
   48    47 S   HA   _H46    43     1.08688   118.89715   179.43803
   49    45 S   CT   _C28    54     1.51250   124.78307     0.90655
   50    47 S   CA   _C8_    44     1.39309   120.12894    -0.62776
   51    49 S   CT   _C20    55     1.54363   109.18191   128.70449
   52    51 S   HC   _H57    56     1.10056   109.30741    50.10216
   53    51 S   HC   _H58    57     1.09684   109.23905   160.77718
   54    49 S   OH   _O42    91     1.43849   105.62473  -117.73094
   55    54 S   HO   _H79    92     0.97222   108.68616   -55.57447
   56    50 S   CA   _C9_    45     1.41363   118.21289     1.56648
   57    51 S   CT   _C31    58     1.54040   115.52358   -74.18336
   58    50 S   CT   _C21    95     1.51951   120.44865   179.36542
   59    58 S   HC   _H59    96     1.09734   109.05061   149.36840
   60    40 S   CA   _C7_    46     1.40217   121.67043    -6.52489
   61    57 S   CT   _C16    59     1.52850   114.28996   -16.78749
   62    61 S   HC   _H49    60     1.09752   110.20635  -155.13292
   63    61 S   HC   _H50    61     1.09344   112.08526    86.22591
   64    57 S   CT   _C34    85     1.53400   111.32905   107.76952
   65    64 S   HC   _H72    86     1.09612   111.03700    58.17404
   66    64 S   HC   _H73    87     1.09436   111.85787   -63.06032
   67    64 S   HC   _H74    88     1.09627   110.71597   175.92879
   68    57 S   OH   _O43    89     1.43526   107.60334  -135.66369
   69    68 S   HO   _H80    90     0.97276   108.10164   -59.92178
   70    56 S   OH   _O38    93     1.37897   114.59573   178.15623
   71    70 S   HO   _H75    94     0.97495   107.70941   179.87805
   72    58 S   CT   _C19    97     1.53036   110.70062   -88.86029
   73    72 S   HC   _H55    98     1.09707   111.35091   -59.15174
   74    72 S   HC   _H56    99     1.09901   110.35123    58.01322
   75    60 S   CMA  _C12    47     1.52760   121.80292     3.59238
   76    75 S   OM   _O33    48     1.27065   118.96018   179.06623
   77    61 S   CO4  _C15    62     1.51164   111.93352   -35.25037
   78    77 S   O    _O35    63     1.23283   119.81557  -127.25549
   79    72 S   CT   _C23   100     1.52610   110.67958   178.31902
   80    79 S   HC   _H61   101     1.09674   110.37114    70.26923
   81    33 S   CT   _C30    64     1.59862   110.07552  -176.41701
   82    79 S   CT   _C24   102     1.53167   110.74899   -51.78612
   83    82 S   HC   _H62   103     1.09709   108.90644   -71.00793
   84    79 S   OH   _O40   113     1.42593   109.35885  -172.14700
   85    84 S   HO   _H77   114     0.97250   107.54612   -58.31511
   86    81 S   OS   _O44    65     1.44326   106.36274    54.75168
   87    82 S   CT   _C26   104     1.53434   110.78461    50.37264
   88    87 S   HC   _H64   105     1.09799   110.38026    66.47781
   89    82 S   OH   _O41   111     1.42686   109.80042   172.16844
   90    89 S   HO   _H78   112     0.97227   108.07332   -58.54387
   91    86 S   CO   _C27    66     1.42660   119.98538   161.67801
   92    91 S   HC   _H65    67     1.08993   111.17985     8.88966
   93    58 S   OS   _O36   106     1.43502   109.98744    32.53432
   94    87 S   CT   _C33   107     1.52519   111.59691  -173.94463
   95    94 S   HC   _H69   108     1.09564   110.91445    60.54384
   96    94 S   HC   _H70   109     1.09396   111.69490   -60.94366
   97    94 S   HC   _H71   110     1.09555   110.28215   178.39611
   98    91 S   CT   _C18    68     1.53054   109.69632   128.42445
   99    98 S   HC   _H53    69     1.09422   110.88978   -52.80177
  100    98 S   HC   _H54    70     1.09693   109.01619  -171.06561
  101    98 S   CT   _C17    71     1.52776   111.47185    69.03126
  102   101 S   HC   _H51    72     1.09601   108.99740   174.21782
  103   101 S   HC   _H52    73     1.09673   109.59560   -68.34982
  104   101 S   CT   _C22    74     1.52632   110.51413    52.60358
  105   104 S   HC   _H60    75     1.09516   110.22000  -172.91662
  106   104 S   CT   _C25    76     1.53362   110.41325   -51.43103
  107   106 S   HC   _H63    77     1.09427   108.92655   -65.95398
  108   104 S   OH   _O39    83     1.42783   109.12298    69.53387
  109   108 S   HO   _H76    84     0.97255   107.22241    61.87542
  110    91 S   OS   _O37    78     1.43357   112.26251  -108.97484
  111   106 S   CT   _C32    79     1.52427   112.39510   174.38029
  112   111 S   HC   _H66    80     1.09530   111.48650   -65.44311
  113   111 S   HC   _H67    81     1.09572   110.10051   176.72673
  114   111 S   HC   _H68    82     1.09415   111.30961    56.40616
  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  11   5   4   3
  20   2   1   1  14   5  13  11  10   4   8   4  12   4   9   3
  14  13  17   7   6   5   1   9  12  14   6   4  12   6   5   6
   3   2   1   2   1   2   1  11   6   5   2   1   4   2  11   6
   5  12   7   3   1   8   8   6   3   1  12   6   4   3   2   1
   1  10   6   5  10   5   4  10   6   8   6   3   1   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    81    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    75    39    41    49    77    81    86  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    60    75    76    39    41    42    45    49    51    61    77    78    81    86    91    54  
   35    36  
   36  
    0  
   38    40    43    44    47    56    60    75    39    41    49    77    81    86  
   40    43    60    39    81  
   41    42    45    46    49    77    81    86    40    56    60    75    76  
   43    44    47    48    50    56    60    75    76    81    70  
   42    45    46    49    51    81    54    60    75    76  
   45    46    49    75  
   44    47    48    50    56    60    75    58  
   47    48    50    60  
   46    49    51    52    53    57    77    81    86    54    55    75  
   49    51    81    54  
   48    50    56    60    70    58    59    72    93  
   50    56    58  
   51    52    53    57    61    77    78    81    86    91    64    68    54    55  
   56    60    75    70    71    58    59    72    73    74    79    87    93  
   52    53    57    61    62    63    77    81    86    64    65    66    67    68    69    54    55  
   53    57    61    81    64    68    54  
   57    61    81    64    68    54  
   55    57    77    81    86  
   81  
   60    75    76    70    71    58    59    72    93  
   61    62    63    77    78    81    64    65    66    67    68    69  
   59    72    73    74    79    80    82    87    88    93    94    84    60    70  
   72    73    74    79    87    93  
   75    76    70    71  
   62    63    77    78    81    86    64    65    66    67    68    69  
   63    77    78    81    64    68  
   77    78    81    64    68  
   65    66    67    68    69    77  
   66    67    68  
   67    68  
   68  
   69    77  
    0  
   71    75  
    0  
   73    74    79    80    82    83    87    93    89    84    85  
   74    79    80    82    93    84  
   79    80    82    93    84  
   76    81  
    0  
   78    81    86    91  
   81    86  
   80    82    83    87    88    93    94    89    90    84    85  
   82    83    87    89    84    85  
   86    91    92    98   110  
   83    87    88    93    94    95    96    97    89    90    84    85  
   87    88    93    94    89    90    84  
   85    87    89  
    0  
   91    92    98    99   100   101   106   110  
   88    93    94    95    96    97    89    90  
   93    94    95    96    97    89  
   90    93    94  
    0  
   92    98    99   100   101   102   103   104   106   107   110   111  
   98    99   100   101   106   110  
   94    95    96    97  
   95    96    97  
   96    97  
   97  
    0  
   99   100   101   102   103   104   105   106   110   108  
  100   101   102   103   104   110  
  101   102   103   104   110  
  102   103   104   105   106   107   110   111   108   109  
  103   104   105   106   108  
  104   105   106   108  
  105   106   107   110   111   112   113   114   108   109  
  106   107   110   111   108   109  
  107   110   111   112   113   114   108   109  
  110   111   112   113   114   108  
  109   110   111  
    0  
  111   112   113   114  
  112   113   114  
  113   114  
  114  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   76   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   77   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   93   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  108   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  109   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  110   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   317.000  1.510
   33    81   268.000  1.529
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    60   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    56   469.000  1.400
   50    58   317.000  1.510
   56    60   469.000  1.400
   56    70   450.000  1.364
   60    75   320.000  1.460
   75    76   745.000  1.250
   75    39   465.000  1.376
   39    41   380.000  1.444
   41    42   340.000  1.080
   41    45   549.000  1.340
   45    46   340.000  1.080
   45    49   317.000  1.510
   49    51   268.000  1.529
   49    81   268.000  1.529
   49    54   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    61   268.000  1.529
   57    64   268.000  1.529
   57    68   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    77   317.000  1.522
   77    78   570.000  1.229
   77    81   317.000  1.522
   81    86   320.000  1.410
   86    91   320.000  1.380
   91    92   340.000  1.090
   91    98   250.000  1.527
   91   110   320.000  1.380
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   268.000  1.529
  104   108   320.000  1.410
  106   107   340.000  1.090
  106   110   320.000  1.410
  106   111   268.000  1.529
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
  108   109   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   553.000  0.945
   54    55   553.000  0.945
   70    71   553.000  0.945
   58    59   340.000  1.090
   58    72   268.000  1.529
   58    93   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    79   268.000  1.529
   79    80   340.000  1.090
   79    82   268.000  1.529
   79    84   320.000  1.410
   82    83   340.000  1.090
   82    87   268.000  1.529
   82    89   320.000  1.410
   87    88   340.000  1.090
   87    93   320.000  1.410
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   89    90   553.000  0.945
   84    85   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  112.20000
   29    33    81    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    39    75    70.00000  124.00000
   33    39    41    70.00000  124.00000
   33    81    49    58.35000  112.70000
   33    81    77    63.00000  111.10000
   33    81    86    50.00000  109.50000
   37    40    43    60.00000  119.52600
   37    40    60    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    44    35.00000  120.00000
   40    43    47    63.00000  120.00000
   40    60    56    63.00000  120.00000
   40    60    75    60.00000  120.93500
   43    47    48    35.00000  120.00000
   43    47    50    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    50    56    63.00000  120.00000
   47    50    58    70.00000  120.00000
   50    47    48    35.00000  120.00000
   50    56    60    63.00000  120.00000
   50    56    70    70.00000  120.00000
   50    58    59    35.00000  109.50000
   50    58    72    70.00000  112.17500
   50    58    93    85.00000  111.85700
   56    60    75    60.00000  120.93500
   56    70    71    35.00000  113.00000
   60    40    43    63.00000  120.00000
   60    75    76    85.00000  114.86500
   60    75    39    60.00000  123.20500
   75    39    41    70.00000  117.34000
   39    33    37    70.00000  109.06800
   39    75    76    65.00000  137.10300
   39    41    42    35.00000  120.00000
   39    41    45    70.00000  123.01800
   41    45    46    35.00000  120.00000
   41    45    49    70.00000  124.00000
   45    41    42    35.00000  120.00000
   45    49    51    70.00000  112.02700
   45    49    81    70.00000  112.02700
   45    49    54    90.00000  110.39200
   49    45    46    35.00000  117.00000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    57    58.35000  112.70000
   49    81    77    63.00000  111.10000
   49    81    86    50.00000  109.50000
   49    54    55    55.00000  108.50000
   51    57    61    58.35000  112.70000
   51    57    64    58.35000  112.70000
   51    57    68    50.00000  109.50000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    77    63.00000  111.10000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    37.50000  110.70000
   57    68    69    55.00000  108.50000
   61    77    78    80.00000  120.40000
   61    77    81    70.00000  116.00000
   63    61    62    33.00000  107.80000
   77    61    62    35.00000  109.50000
   77    61    63    35.00000  109.50000
   77    81    86    90.00000  108.74100
   81    33    37    63.00000  111.10000
   81    33    39    70.00000  112.02700
   81    49    51    58.35000  112.70000
   81    77    78    80.00000  120.40000
   81    86    91    60.00000  109.50000
   86    91    92    35.00000  109.50000
   86    91    98    90.00000  108.56700
   86    91   110    92.60000  111.55000
   91    98    99    45.00000  108.72000
   91    98   100    45.00000  108.72000
   91    98   101    75.00000  109.43000
   91   110   106    60.00000  109.50000
   98    91    92    45.00000  112.01100
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   104    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   104   105    37.50000  110.70000
  101   104   106    58.35000  112.70000
  101   104   108    50.00000  109.50000
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  104   106   107    37.50000  110.70000
  104   106   110    50.00000  109.50000
  104   106   111    58.35000  112.70000
  104   108   109    55.00000  108.50000
  106   104   105    37.50000  110.70000
  106   111   112    37.50000  110.70000
  106   111   113    37.50000  110.70000
  106   111   114    37.50000  110.70000
  110    91    92    35.00000  109.50000
  110    91    98    90.00000  108.56700
  110   106   107    35.00000  109.50000
  111   106   107    37.50000  110.70000
  111   106   110    50.00000  109.50000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
  108   104   105    35.00000  109.50000
  108   104   106    50.00000  109.50000
   64    57    61    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    57    61    50.00000  109.50000
   68    57    64    50.00000  109.50000
   54    49    51    50.00000  109.50000
   54    49    81    50.00000  109.50000
   70    56    60    70.00000  120.00000
   58    50    56    70.00000  120.00000
   58    72    73    37.50000  110.70000
   58    72    74    37.50000  110.70000
   58    72    79    58.35000  112.70000
   58    93    87    60.00000  109.50000
   72    58    59    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    82    58.35000  112.70000
   72    79    84    50.00000  109.50000
   74    72    73    33.00000  107.80000
   79    72    73    37.50000  110.70000
   79    72    74    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    87    58.35000  112.70000
   79    82    89    50.00000  109.50000
   79    84    85    55.00000  108.50000
   82    79    80    37.50000  110.70000
   82    87    88    37.50000  110.70000
   82    87    93    50.00000  109.50000
   82    87    94    58.35000  112.70000
   82    89    90    55.00000  108.50000
   87    82    83    37.50000  110.70000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94    97    37.50000  110.70000
   93    58    59    35.00000  109.50000
   93    58    72    50.00000  109.50000
   93    87    88    35.00000  109.50000
   94    87    88    37.50000  110.70000
   94    87    93    50.00000  109.50000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   89    82    83    35.00000  109.50000
   89    82    87    50.00000  109.50000
   84    79    80    35.00000  109.50000
   84    79    82    50.00000  109.50000
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
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  100    98   101   103   0.15000  1.0 3.0
  100    98   101   104   0.15000  1.0 3.0
  101   104   106   107   0.15000  1.0 3.0
  101   104   106   110   0.62750  1.0 1.0
  101   104   106   110  -0.30950 -1.0 2.0
  101   104   106   110   0.27300  1.0 3.0
  101   104   106   111   0.56750  1.0 1.0
  101   104   106   111  -0.07550 -1.0 2.0
  101   104   106   111   0.20000  1.0 3.0
  101   104   108   109  -0.11600  1.0 1.0
  101   104   108   109  -0.09450 -1.0 2.0
  101   104   108   109   0.21250  1.0 3.0
  102   101   104   105   0.15000  1.0 3.0
  102   101   104   106   0.15000  1.0 3.0
  102   101   104   108   0.23400  1.0 3.0
  103   101   104   105   0.15000  1.0 3.0
  103   101   104   106   0.15000  1.0 3.0
  103   101   104   108   0.23400  1.0 3.0
  104   106  -110    91   0.06250  1.0 1.0
  104   106  -110    91  -0.01100 -1.0 2.0
  104   106  -110    91   0.28050  1.0 3.0
  104   106   111   112   0.15000  1.0 3.0
  104   106   111   113   0.15000  1.0 3.0
  104   106   111   114   0.15000  1.0 3.0
  105   104   106   107   0.15000  1.0 3.0
  105   104   106   110   0.23400  1.0 3.0
  105   104   106   111   0.15000  1.0 3.0
  105   104   108   109   0.19450  1.0 3.0
  106   104   108   109  -0.11600  1.0 1.0
  106   104   108   109  -0.09450 -1.0 2.0
  106   104   108   109   0.21250  1.0 3.0
  107   106   110    91   0.37050  1.0 3.0
  107   106   111   112   0.15000  1.0 3.0
  107   106   111   113   0.15000  1.0 3.0
  107   106   111   114   0.15000  1.0 3.0
  110    91    98    99   0.23400  1.0 3.0
  110    91    98   100   0.23400  1.0 3.0
  110    91   -98   101   0.62750  1.0 1.0
  110    91   -98   101  -0.30950 -1.0 2.0
  110    91   -98   101   0.27300  1.0 3.0
  110   106   111   112   0.23400  1.0 3.0
  110   106   111   113   0.23400  1.0 3.0
  110   106   111   114   0.23400  1.0 3.0
  111   106   110    91   0.06250  1.0 1.0
  111   106   110    91  -0.01100 -1.0 2.0
  111   106   110    91   0.28050  1.0 3.0
  108   104   106   107   0.23400  1.0 3.0
  108   104   106   110   3.69350  1.0 1.0
  108   104   106   110  -1.82950 -1.0 2.0
  108   104   106   111   0.86500  1.0 1.0
  108   104   106   111  -0.17500 -1.0 2.0
  108   104   106   111   0.20800  1.0 3.0
   64    57    61    62   0.15000  1.0 3.0
   64    57    61    63   0.15000  1.0 3.0
   64    57    61    77  -0.95700  1.0 1.0
   64    57    61    77  -0.18200 -1.0 2.0
   64    57    61    77   0.29450  1.0 3.0
   64    57    68    69  -0.11600  1.0 1.0
   64    57    68    69  -0.09450 -1.0 2.0
   64    57    68    69   0.21250  1.0 3.0
   68    57    61    62   0.23400  1.0 3.0
   68    57    61    63   0.23400  1.0 3.0
   68    57    61    77  -0.09450  1.0 1.0
   68    57    61    77  -1.12950 -1.0 2.0
   68    57    61    77   0.54000  1.0 3.0
   68    57    64    65   0.23400  1.0 3.0
   68    57    64    66   0.23400  1.0 3.0
   68    57    64    67   0.23400  1.0 3.0
   54    49    51    52   0.23400  1.0 3.0
   54    49    51    53   0.23400  1.0 3.0
   54    49    51    57   0.86500  1.0 1.0
   54    49    51    57  -0.17500 -1.0 2.0
   54    49    51    57   0.20800  1.0 3.0
   54    49    81    33   0.86500  1.0 1.0
   54    49    81    33  -0.17500 -1.0 2.0
   54    49    81    33   0.20800  1.0 3.0
   54    49    81    77  -0.09450  1.0 1.0
   54    49    81    77  -1.12950 -1.0 2.0
   54    49    81    77   0.54000  1.0 3.0
   54    49    81    86   3.69350  1.0 1.0
   54    49    81    86  -1.82950 -1.0 2.0
   70    56    60    40   3.62500 -1.0 2.0
   70    56    60    75   3.62500 -1.0 2.0
   58    50    56    60   3.62500 -1.0 2.0
   58    50    56    70   3.62500 -1.0 2.0
   58    72    79    80   0.15000  1.0 3.0
   58    72    79    82   0.56750  1.0 1.0
   58    72    79    82  -0.07550 -1.0 2.0
   58    72    79    82   0.20000  1.0 3.0
   58    72    79    84   0.86500  1.0 1.0
   58    72    79    84  -0.17500 -1.0 2.0
   58    72    79    84   0.20800  1.0 3.0
   59    58    72    73   0.15000  1.0 3.0
   59    58    72    74   0.15000  1.0 3.0
   59    58    72    79   0.15000  1.0 3.0
   59    58    93    87   0.37050  1.0 3.0
   72    58    93    87   0.06250  1.0 1.0
   72    58    93    87  -0.01100 -1.0 2.0
   72    58    93    87   0.28050  1.0 3.0
   72    79    82    83   0.15000  1.0 3.0
   72    79   -82    87   0.56750  1.0 1.0
   72    79   -82    87  -0.07550 -1.0 2.0
   72    79   -82    87   0.20000  1.0 3.0
   72    79    82    89   0.86500  1.0 1.0
   72    79    82    89  -0.17500 -1.0 2.0
   72    79    82    89   0.20800  1.0 3.0
   72    79    84    85  -0.11600  1.0 1.0
   72    79    84    85  -0.09450 -1.0 2.0
   72    79    84    85   0.21250  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    82   0.15000  1.0 3.0
   73    72    79    84   0.23400  1.0 3.0
   74    72    79    80   0.15000  1.0 3.0
   74    72    79    82   0.15000  1.0 3.0
   74    72    79    84   0.23400  1.0 3.0
   79    82    87    88   0.15000  1.0 3.0
   79    82    87    93   0.62750  1.0 1.0
   79    82    87    93  -0.30950 -1.0 2.0
   79    82    87    93   0.27300  1.0 3.0
   79    82    87    94   0.56750  1.0 1.0
   79    82    87    94  -0.07550 -1.0 2.0
   79    82    87    94   0.20000  1.0 3.0
   79    82    89    90  -0.11600  1.0 1.0
   79    82    89    90  -0.09450 -1.0 2.0
   79    82    89    90   0.21250  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    87   0.15000  1.0 3.0
   80    79    82    89   0.23400  1.0 3.0
   80    79    84    85   0.19450  1.0 3.0
   82    79    84    85  -0.11600  1.0 1.0
   82    79    84    85  -0.09450 -1.0 2.0
   82    79    84    85   0.21250  1.0 3.0
   82    87   -93    58   0.06250  1.0 1.0
   82    87   -93    58  -0.01100 -1.0 2.0
   82    87   -93    58   0.28050  1.0 3.0
   82    87    94    95   0.15000  1.0 3.0
   82    87    94    96   0.15000  1.0 3.0
   82    87    94    97   0.15000  1.0 3.0
   83    82    87    88   0.15000  1.0 3.0
   83    82    87    93   0.23400  1.0 3.0
   83    82    87    94   0.15000  1.0 3.0
   83    82    89    90   0.19450  1.0 3.0
   87    82    89    90  -0.11600  1.0 1.0
   87    82    89    90  -0.09450 -1.0 2.0
   87    82    89    90   0.21250  1.0 3.0
   88    87    93    58   0.37050  1.0 3.0
   88    87    94    95   0.15000  1.0 3.0
   88    87    94    96   0.15000  1.0 3.0
   88    87    94    97   0.15000  1.0 3.0
   93    58    72    73   0.23400  1.0 3.0
   93    58    72    74   0.23400  1.0 3.0
   93    58   -72    79   0.62750  1.0 1.0
   93    58   -72    79  -0.30950 -1.0 2.0
   93    58   -72    79   0.27300  1.0 3.0
   93    87    94    95   0.23400  1.0 3.0
   93    87    94    96   0.23400  1.0 3.0
   93    87    94    97   0.23400  1.0 3.0
   94    87    93    58   0.06250  1.0 1.0
   94    87    93    58  -0.01100 -1.0 2.0
   94    87    93    58   0.28050  1.0 3.0
   89    82    87    88   0.23400  1.0 3.0
   89    82    87    93   3.69350  1.0 1.0
   89    82    87    93  -1.82950 -1.0 2.0
   89    82    87    94   0.86500  1.0 1.0
   89    82    87    94  -0.17500 -1.0 2.0
   89    82    87    94   0.20800  1.0 3.0
   84    79    82    83   0.23400  1.0 3.0
   84    79    82    87   0.86500  1.0 1.0
   84    79    82    87  -0.17500 -1.0 2.0
   84    79    82    87   0.20800  1.0 3.0
   84    79    82    89   3.75450  1.0 1.0
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
   33    40    37    38  10.50000 -1.0 2.0
   43    60    40    37   4.00000 -1.0 2.0
   47    44    43    40   1.10000 -1.0 2.0
   50    48    47    43   1.10000 -1.0 2.0
   56    58    50    47   4.00000 -1.0 2.0
   60    70    56    50   4.00000 -1.0 2.0
   56    75    60    40   4.00000 -1.0 2.0
   60    76    75    39   1.10000 -1.0 2.0
   33    41    39    75   1.10000 -1.0 2.0
   39    42    41    45   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   61    81    77    78  10.50000 -1.0 2.0
END
