* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    218    360     668
    1     0 S   NP   _N1_     1    28.77918    95.57200   -20.31045
    2     1 S   H    _HN1     2     1.02845    39.67752   145.00847
    3     1 S   H    _H1_     3     1.02774    79.48306   -79.49295
    4     1 S   H    _H2_     4     1.02971    90.93391    28.97130
    5     1 S   CT   _CA1     5     1.50072   149.31139   164.28428
    6     5 S   HC   _HA1     6     1.09552   105.41718    46.38092
    7     5 S   CO3  _C1_     7     1.53862   112.09002   -74.28694
    8     7 S   O2Z  _O11     8     1.26340   114.86071   -48.29786
    9     7 S   O2Z  _O12     9     1.26219   115.02995   130.99828
   10     5 S   CT   _CB1    10     1.53110   107.49064   164.66832
   11    10 S   HC   HB11    11     1.09816   109.86069   -48.54381
   12    10 S   HC   HB12    12     1.09829   110.20565    68.11057
   13    10 S   CT   _CG1    13     1.52991   112.44508  -169.51485
   14    13 S   HC   HG11    14     1.09588   110.48387   -54.20718
   15    13 S   HC   HG12    15     1.09614   110.12086    64.93317
   16    13 S   C    _CD1    16     1.51751   112.13170  -174.38658
   17    16 S   O    _OE1    17     1.22709   123.28766    -8.72184
   18    16 S   N    _N2_    18     1.38544   111.53256   170.97951
   19    18 S   H    _HN2    19     1.01580   119.03268     3.90635
   20    18 S   CT1  _CA2    20     1.46239   123.47139  -173.54266
   21    20 S   HC   _HA2    21     1.09723   109.49282   -12.15153
   22    20 S   C    _C2_    22     1.53329   108.34772  -128.12838
   23    22 S   O    _O2_    23     1.22996   122.31874  -145.05250
   24    20 S   CT   _CB2    32     1.53711   110.85236   109.74361
   25    24 S   HC   HB21    33     1.09305   108.84974    56.57018
   26    24 S   HC   HB22    34     1.09508   110.12884   175.12669
   27    22 S   N    _N3_    24     1.38542   113.30993    42.31126
   28    27 S   H    _HN3    25     1.01524   118.89703    -0.50899
   29    24 S   S    _SG2    35     1.83341   110.99159   -65.65876
   30    27 S   CT   _CA3    26     1.45438   123.37020   175.08761
   31    30 S   HC   HA31    27     1.09529   109.15066    26.07899
   32    30 S   HC   HA32    28     1.09494   107.14376   143.07080
   33    29 S   CT   _C14    36     1.90179   104.60110   159.95662
   34    30 S   CO3  _C3_    29     1.52932   113.17488   -97.33560
   35    34 S   O2Z  _O31    30     1.26397   115.42884   -43.90594
   36    34 S   O2Z  _O32    31     1.26360   114.96684   137.04583
   37    33 S   CM   _C15    37     1.52204   107.62567    34.73853
   38    37 S   HC   _H20    38     1.09090   115.18265   -67.64084
   39    33 S   CT   _C13    54     1.59396   106.40538   154.43715
   40    39 S   HC   _H5_    55     1.09930   108.83446    27.29658
   41    37 S   CMA  _C16    39     1.34996   129.02925   118.25125
   42    41 S   OM   _O35    40     1.26268   127.29481   174.13820
   43    39 S   CT   _C12    56     1.55552   111.66928   141.04900
   44    43 S   HC   _H18    57     1.09417   110.59289  -174.59695
   45    43 S   HC   _H19    58     1.09592   109.73808    68.97259
   46    41 S   CT   _C17    41     1.54541   119.39380    -3.46475
   47    46 S   HC   _H6_    42     1.10214   105.61349    91.92992
   48    43 S   CT   _C11    59     1.53873   116.09548   -55.32165
   49    48 S   HC   _H16    60     1.09624   107.05771   153.43119
   50    48 S   HC   _H17    61     1.09725   108.02404   -93.51329
   51    46 S   CT   _C22    43     1.55462   115.19438  -152.13672
   52    51 S   HC   _H23    44     1.09517   112.12419    60.49580
   53    51 S   HC   _H24    45     1.09750   110.11474   -58.86233
   54    48 S   CT   _C10    62     1.53941   114.92542    29.77791
   55    51 S   CO4  _C21    46     1.51222   112.59951  -176.88680
   56    55 S   O    _O33    47     1.23307   120.95064   139.48754
   57    54 S   CT   _C6_    63     1.57603   113.76463   138.41158
   58    57 S   HC   _H4_    64     1.09994   108.14663   -42.22825
   59    54 S   CT   _C24   101     1.54685   109.01800   -98.65247
   60    59 S   HC   _H29   102     1.09372   112.54498   176.16728
   61    59 S   HC   _H30   103     1.09165   112.40560    53.74005
   62    59 S   HC   _H31   104     1.09463   111.39083   -63.83135
   63    55 S   CT   _C20    48     1.51291   118.28503   -46.54763
   64    63 S   HC   _H7_    49     1.09677   108.11995   158.90848
   65    57 S   CT   _C7_    65     1.55202   102.87400  -154.70694
   66    65 S   HC   _H12    66     1.09630   111.87309  -101.29817
   67    65 S   HC   _H13    67     1.09600   110.30776   139.10386
   68    57 S   CT   _C5_    74     1.56464   120.00057    79.96017
   69    68 S   HC   _H3_    75     1.09537   107.94378    60.01807
   70    63 S   CT   _C19    50     1.52798   111.49724    40.33664
   71    70 S   HC   _H21    51     1.09495   104.47156    75.11445
   72    70 S   HC   _H22    52     1.09721   109.63992  -169.81113
   73    65 S   CT   _C8_    68     1.53592   107.65254    18.40388
   74    73 S   HC   _H14    69     1.09521   110.20083   131.77401
   75    73 S   HC   _H15    70     1.09129   107.41149  -110.89598
   76    68 S   CT   _C4_    76     1.54282   109.79115   175.69102
   77    76 S   HC   _H9_    77     1.09464   111.53485    59.84740
   78    76 S   HC   _H10    78     1.09357   111.67593  -178.86599
   79    76 S   HC   _H11    79     1.09427   111.51169   -60.58056
   80    68 S   CT   _C25    80     1.55265   113.10532   -59.75157
   81    80 S   HC   _H8_    81     1.09246   109.02390    59.65424
   82    63 S   OH   _O34   109     1.41261   109.96977   -84.22966
   83    82 S   HO   _H25   110     0.97291   107.49725   -62.37679
   84    46 S   CT   _C18    53     1.56612   112.43930   -24.71770
   85    33 S   CT   _C9_    71     1.58732   111.56358   -85.14270
   86    80 S   CT   _C26    82     1.54062   116.51677  -179.70459
   87    86 S   HC   _H33    83     1.09687   107.29742  -179.26511
   88    86 S   HC   _H34    84     1.09553   109.95308    67.30350
   89    80 S   OH   _O38    99     1.42984   110.27247   -56.72348
   90    89 S   HO   _H44   100     0.97167   108.12053   -68.52719
   91    85 S   OH   _O36    72     1.45881   107.53566   161.67863
   92    91 S   HO   _H32    73     0.97201   108.69620   -70.33823
   93    86 S   CT   _C27    85     1.53024   113.75635   -57.52010
   94    93 S   HC   _H35    86     1.09712   109.51086    63.55245
   95    93 S   HC   _H36    87     1.09842   109.29729   -51.18497
   96    84 S   CT   _C23   105     1.55532   110.93143   -69.24378
   97    96 S   HC   _H26   106     1.09168   112.79813    53.82906
   98    96 S   HC   _H27   107     1.09096   113.27308   -64.48264
   99    96 S   HC   _H28   108     1.09572   110.75136   175.58252
  100    93 S   CT   _C28    88     1.54272   115.48362  -174.25587
  101   100 S   CT   _C29    89     1.53030   112.30514    63.81585
  102   101 S   HC   _H37    90     1.09586   110.75252    54.12421
  103   101 S   HC   _H38    91     1.09631   110.80149   171.83829
  104   101 S   HC   _H39    92     1.09389   112.25210   -67.46229
  105   100 S   CT   _C30    93     1.53026   112.12827   -61.45685
  106   105 S   HC   _H40    94     1.09590   110.74892   -54.52473
  107   105 S   HC   _H41    95     1.09624   110.83388  -172.28907
  108   105 S   HC   _H42    96     1.09410   112.13901    66.96867
  109   100 S   OH   _O37    97     1.43461   106.35574  -178.85859
  110   109 S   HO   _H43    98     0.97231   108.06441   179.53354
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  24   2   1   1  14   5  24   9  11   4  13   6   5  15   7  15
   5   4  10   5   4  19   9   4  23  10   8   3   2   1   8   6
  11   6   5  15   8   9   4   3   5   3   2   7   3   2   1  10
   6   2   1   5   2  11   6   5   2   1   1   1  13   5   4   3
   2   1   1  10   9   4   3   2   5   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    85    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    84    39    40    43    54    73    85    91  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    70    84    39    40    43    44    45    48    54    57    65    73    74    75    85    91    92    59    96  
   35    36  
   36  
    0  
   38    41    42    46    47    51    84    39    40    43    54    73    85    91  
   41    42    46    39    85  
   40    43    44    45    48    49    50    54    73    85    91    96    97    98    99    41    46    47    51    63    70    71    72    84  
   43    44    45    48    85    96    46    70    84  
   42    46    47    51    52    53    55    70    84    85    96  
   46    47    51    84  
   44    45    48    49    50    54    57    85    59    96    46    70    84  
   45    48    49    50    54    84  
   48    49    50    54    84  
   47    51    52    53    55    56    63    70    71    72    84    96    97    98    99  
   51    52    53    55    70    84    96  
   49    50    54    57    58    65    73    85    91    68    59    60    61    62    84  
   50    54    57    85    59  
   54    57    85    59  
   52    53    55    56    63    64    70    84    96    82  
   53    55    56    63    84  
   55    56    63    84  
   57    58    65    66    67    73    74    75    85    91    92    68    69    76    80    59    60    61    62  
   56    63    64    70    71    72    84    82    83  
   63    64    70    82  
   58    65    66    67    73    74    75    85    91    68    69    76    77    78    79    80    81    86    89    59    60    61    62  
   65    66    67    73    85    68    69    76    80    59  
   60    61    62    65    68    73    85    91  
   61    62    85  
   62    85  
   85  
   64    70    71    72    84    96    82    83  
   70    71    72    84    82    83  
   66    67    73    74    75    85    91    68    69    76    80  
   67    73    74    75    85    68  
   73    74    75    85    68  
   69    76    77    78    79    80    81    86    87    88    93    89    90    73    85  
   76    77    78    79    80    81    86    89  
   71    72    84    96    97    98    99    82    83  
   72    84    96    82  
   84    96    82  
   74    75    85    91    92  
   75    85    91  
   85    91  
   77    78    79    80    81    86    89  
   78    79    80  
   79    80  
   80  
   81    86    87    88    93    94    95   100    89    90  
   86    87    88    93    89    90  
   83    84  
    0  
   85    96    97    98    99  
   91    92  
   87    88    93    94    95   100   101   105   109    89    90  
   88    93    94    95   100    89  
   93    94    95   100    89  
   90    93  
    0  
   92  
    0  
   94    95   100   101   102   103   104   105   106   107   108   109   110  
   95   100   101   105   109  
  100   101   105   109  
   97    98    99  
   98    99  
   99  
    0  
  101   102   103   104   105   106   107   108   109   110  
  102   103   104   105   106   107   108   109   110  
  103   104   105   109  
  104   105   109  
  105   109  
  106   107   108   109   110  
  107   108   109  
  108   109  
  109  
  110  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  101   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  110   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    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  1.510
   33    39   268.000  1.529
   33    85   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    84   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   317.000  1.522
   55    56   570.000  1.229
   55    63   317.000  1.522
   63    64   340.000  1.090
   63    70   268.000  1.529
   63    82   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    84   268.000  1.529
   84    39   268.000  1.529
   84    96   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    57   268.000  1.529
   54    85   268.000  1.529
   54    59   268.000  1.529
   57    58   340.000  1.090
   57    65   268.000  1.529
   57    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    85   268.000  1.529
   85    91   320.000  1.410
   91    92   553.000  0.945
   68    69   340.000  1.090
   68    76   268.000  1.529
   68    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    86   268.000  1.529
   80    89   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   100   268.000  1.529
  100   101   268.000  1.529
  100   105   268.000  1.529
  100   109   320.000  1.410
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   553.000  0.945
   89    90   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   82    83   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    85    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    39    84    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    85    54    58.35000  112.70000
   33    85    73    58.35000  112.70000
   33    85    91    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    46    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    46    47    45.00000  110.52000
   41    46    51    70.00000  112.02700
   41    46    84    70.00000  112.02700
   46    41    42    85.00000  112.85300
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    55    63.00000  111.10000
   46    84    70    58.35000  112.70000
   46    84    39    58.35000  112.70000
   46    84    96    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    55    56    80.00000  120.40000
   51    55    63    70.00000  116.00000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    63    64    35.00000  109.50000
   55    63    70    63.00000  111.10000
   55    63    82    90.00000  109.61100
   63    55    56    80.00000  120.40000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    84    58.35000  112.70000
   63    82    83    55.00000  108.50000
   70    63    64    37.50000  110.70000
   70    84    39    58.35000  112.70000
   70    84    96    58.35000  112.70000
   72    70    71    33.00000  107.80000
   84    46    47    37.50000  110.70000
   84    46    51    58.35000  112.70000
   84    70    71    37.50000  110.70000
   84    70    72    37.50000  110.70000
   84    39    40    37.50000  110.70000
   84    39    43    58.35000  112.70000
   84    96    97    37.50000  110.70000
   84    96    98    37.50000  110.70000
   84    96    99    37.50000  110.70000
   39    33    37    70.00000  112.02700
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    54    57    58.35000  112.70000
   48    54    85    58.35000  112.70000
   48    54    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    65    58.35000  112.70000
   54    57    68    58.35000  112.70000
   54    85    73    58.35000  112.70000
   54    85    91    50.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    73    58.35000  112.70000
   57    68    69    37.50000  110.70000
   57    68    76    58.35000  112.70000
   57    68    80    58.35000  112.70000
   65    57    58    37.50000  110.70000
   65    73    74    37.50000  110.70000
   65    73    75    37.50000  110.70000
   65    73    85    58.35000  112.70000
   67    65    66    33.00000  107.80000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   73    85    91    50.00000  109.50000
   75    73    74    33.00000  107.80000
   85    33    37    70.00000  112.02700
   85    33    39    58.35000  112.70000
   85    54    57    58.35000  112.70000
   85    73    74    37.50000  110.70000
   85    73    75    37.50000  110.70000
   85    91    92    55.00000  108.50000
   68    57    58    37.50000  110.70000
   68    57    65    58.35000  112.70000
   68    76    77    37.50000  110.70000
   68    76    78    37.50000  110.70000
   68    76    79    37.50000  110.70000
   68    80    81    37.50000  110.70000
   68    80    86    58.35000  112.70000
   68    80    89    50.00000  109.50000
   76    68    69    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    68    69    37.50000  110.70000
   80    68    76    58.35000  112.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    93    58.35000  112.70000
   80    89    90    55.00000  108.50000
   86    80    81    37.50000  110.70000
   86    93    94    37.50000  110.70000
   86    93    95    37.50000  110.70000
   86    93   100    58.35000  112.70000
   88    86    87    33.00000  107.80000
   93    86    87    37.50000  110.70000
   93    86    88    37.50000  110.70000
   93   100   101    58.35000  112.70000
   93   100   105    58.35000  112.70000
   93   100   109    50.00000  109.50000
   95    93    94    33.00000  107.80000
  100    93    94    37.50000  110.70000
  100    93    95    37.50000  110.70000
  100   101   102    37.50000  110.70000
  100   101   103    37.50000  110.70000
  100   101   104    37.50000  110.70000
  100   105   106    37.50000  110.70000
  100   105   107    37.50000  110.70000
  100   105   108    37.50000  110.70000
  100   109   110    55.00000  108.50000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
  105   100   101    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   100   101    50.00000  109.50000
  109   100   105    50.00000  109.50000
   89    80    81    35.00000  109.50000
   89    80    86    50.00000  109.50000
   59    54    57    58.35000  112.70000
   59    54    85    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   96    84    39    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   82    63    64    35.00000  109.50000
   82    63    70    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
    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
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   65    73   -85    54   0.56750  1.0 1.0
   65    73   -85    54  -0.07550 -1.0 2.0
   65    73   -85    54   0.20000  1.0 3.0
   65    73    85    91   0.86500  1.0 1.0
   65    73    85    91  -0.17500 -1.0 2.0
   65    73    85    91   0.20800  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    75   0.15000  1.0 3.0
   66    65    73    85   0.15000  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    75   0.15000  1.0 3.0
   67    65    73    85   0.15000  1.0 3.0
   73    85    91    92  -0.11600  1.0 1.0
   73    85    91    92  -0.09450 -1.0 2.0
   73    85    91    92   0.21250  1.0 3.0
   74    73    85    33   0.15000  1.0 3.0
   74    73    85    54   0.15000  1.0 3.0
   74    73    85    91   0.23400  1.0 3.0
   75    73    85    33   0.15000  1.0 3.0
   75    73    85    54   0.15000  1.0 3.0
   75    73    85    91   0.23400  1.0 3.0
   85    33    37    38   0.00000  1.0 1.0
   85    33    37    41   0.09850  1.0 1.0
   85    33    37    41   0.15250 -1.0 2.0
   85    33    37    41  -0.50650  1.0 3.0
   85    33    39    84   0.56750  1.0 1.0
   85    33    39    84  -0.07550 -1.0 2.0
   85    33    39    84   0.20000  1.0 3.0
   85    33    39    40   0.15000  1.0 3.0
   85    33   -39    43   0.56750  1.0 1.0
   85    33   -39    43  -0.07550 -1.0 2.0
   85    33   -39    43   0.20000  1.0 3.0
   85    54    57    58   0.15000  1.0 3.0
   85    54   -57    65   0.56750  1.0 1.0
   85    54   -57    65  -0.07550 -1.0 2.0
   85    54   -57    65   0.20000  1.0 3.0
   85    54    57    68   0.56750  1.0 1.0
   85    54    57    68  -0.07550 -1.0 2.0
   85    54    57    68   0.20000  1.0 3.0
   85    54    59    60   0.15000  1.0 3.0
   85    54    59    61   0.15000  1.0 3.0
   85    54    59    62   0.15000  1.0 3.0
   68    57    65    66   0.15000  1.0 3.0
   68    57    65    67   0.15000  1.0 3.0
   68    57    65    73   0.56750  1.0 1.0
   68    57    65    73  -0.07550 -1.0 2.0
   68    57    65    73   0.20000  1.0 3.0
   68    80    86    87   0.15000  1.0 3.0
   68    80    86    88   0.15000  1.0 3.0
   68    80    86    93   0.56750  1.0 1.0
   68    80    86    93  -0.07550 -1.0 2.0
   68    80    86    93   0.20000  1.0 3.0
   68    80    89    90  -0.11600  1.0 1.0
   68    80    89    90  -0.09450 -1.0 2.0
   68    80    89    90   0.21250  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    78   0.15000  1.0 3.0
   69    68    76    79   0.15000  1.0 3.0
   69    68    80    81   0.15000  1.0 3.0
   69    68    80    86   0.15000  1.0 3.0
   69    68    80    89   0.23400  1.0 3.0
   76    68    80    81   0.15000  1.0 3.0
   76    68    80    86   0.56750  1.0 1.0
   76    68    80    86  -0.07550 -1.0 2.0
   76    68    80    86   0.20000  1.0 3.0
   76    68    80    89   0.86500  1.0 1.0
   76    68    80    89  -0.17500 -1.0 2.0
   76    68    80    89   0.20800  1.0 3.0
   80    68    76    77   0.15000  1.0 3.0
   80    68    76    78   0.15000  1.0 3.0
   80    68    76    79   0.15000  1.0 3.0
   80    86    93    94   0.15000  1.0 3.0
   80    86    93    95   0.15000  1.0 3.0
   80    86    93   100   0.56750  1.0 1.0
   80    86    93   100  -0.07550 -1.0 2.0
   80    86    93   100   0.20000  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    93   0.15000  1.0 3.0
   81    80    89    90   0.19450  1.0 3.0
   86    80    89    90  -0.11600  1.0 1.0
   86    80    89    90  -0.09450 -1.0 2.0
   86    80    89    90   0.21250  1.0 3.0
   86    93   100   101   0.56750  1.0 1.0
   86    93   100   101  -0.07550 -1.0 2.0
   86    93   100   101   0.20000  1.0 3.0
   86    93   100   105   0.56750  1.0 1.0
   86    93   100   105  -0.07550 -1.0 2.0
   86    93   100   105   0.20000  1.0 3.0
   86    93   100   109   0.86500  1.0 1.0
   86    93   100   109  -0.17500 -1.0 2.0
   86    93   100   109   0.20800  1.0 3.0
   87    86    93    94   0.15000  1.0 3.0
   87    86    93    95   0.15000  1.0 3.0
   87    86    93   100   0.15000  1.0 3.0
   88    86    93    94   0.15000  1.0 3.0
   88    86    93    95   0.15000  1.0 3.0
   88    86    93   100   0.15000  1.0 3.0
   93   100   101   102   0.15000  1.0 3.0
   93   100   101   103   0.15000  1.0 3.0
   93   100   101   104   0.15000  1.0 3.0
   93   100   105   106   0.15000  1.0 3.0
   93   100   105   107   0.15000  1.0 3.0
   93   100   105   108   0.15000  1.0 3.0
   93   100   109   110  -0.11600  1.0 1.0
   93   100   109   110  -0.09450 -1.0 2.0
   93   100   109   110   0.21250  1.0 3.0
   94    93   100   101   0.15000  1.0 3.0
   94    93   100   105   0.15000  1.0 3.0
   94    93   100   109   0.23400  1.0 3.0
   95    93   100   101   0.15000  1.0 3.0
   95    93   100   105   0.15000  1.0 3.0
   95    93   100   109   0.23400  1.0 3.0
  101   100   105   106   0.15000  1.0 3.0
  101   100   105   107   0.15000  1.0 3.0
  101   100   105   108   0.15000  1.0 3.0
  101   100   109   110  -0.11600  1.0 1.0
  101   100   109   110  -0.09450 -1.0 2.0
  101   100   109   110   0.21250  1.0 3.0
  105   100   101   102   0.15000  1.0 3.0
  105   100   101   103   0.15000  1.0 3.0
  105   100   101   104   0.15000  1.0 3.0
  105   100   109   110  -0.11600  1.0 1.0
  105   100   109   110  -0.09450 -1.0 2.0
  105   100   109   110   0.21250  1.0 3.0
  109   100   101   102   0.23400  1.0 3.0
  109   100   101   103   0.23400  1.0 3.0
  109   100   101   104   0.23400  1.0 3.0
  109   100   105   106   0.23400  1.0 3.0
  109   100   105   107   0.23400  1.0 3.0
  109   100   105   108   0.23400  1.0 3.0
   89    80    86    87   0.23400  1.0 3.0
   89    80    86    88   0.23400  1.0 3.0
   89    80    86    93   0.86500  1.0 1.0
   89    80    86    93  -0.17500 -1.0 2.0
   89    80    86    93   0.20800  1.0 3.0
   59    54    57    58   0.15000  1.0 3.0
   59    54    57    65   0.56750  1.0 1.0
   59    54    57    65  -0.07550 -1.0 2.0
   59    54    57    65   0.20000  1.0 3.0
   59    54    57    68   0.56750  1.0 1.0
   59    54    57    68  -0.07550 -1.0 2.0
   59    54    57    68   0.20000  1.0 3.0
   59    54    85    33   0.56750  1.0 1.0
   59    54    85    33  -0.07550 -1.0 2.0
   59    54    85    33   0.20000  1.0 3.0
   59    54    85    73   0.56750  1.0 1.0
   59    54    85    73  -0.07550 -1.0 2.0
   59    54    85    73   0.20000  1.0 3.0
   59    54    85    91   0.86500  1.0 1.0
   59    54    85    91  -0.17500 -1.0 2.0
   59    54    85    91   0.20800  1.0 3.0
   96    84    39    33   0.56750  1.0 1.0
   96    84    39    33  -0.07550 -1.0 2.0
   96    84    39    33   0.20000  1.0 3.0
   96    84    39    40   0.15000  1.0 3.0
   96    84    39    43   0.56750  1.0 1.0
   96    84    39    43  -0.07550 -1.0 2.0
   96    84    39    43   0.20000  1.0 3.0
   82    63    70    71   0.23400  1.0 3.0
   82    63    70    72   0.23400  1.0 3.0
   82    63    70    84   0.86500  1.0 1.0
   82    63    70    84  -0.17500 -1.0 2.0
   82    63    70    84   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
   51    63    55    56  10.50000 -1.0 2.0
END
