* LIGAND DATABASE FILE (OPLS2005)
*
001     110   114    226    371     680
    1     0 S   NP   _N1_     1    28.82122    98.32440   -23.31963
    2     1 S   H    _HN1     2     1.02787   104.94089   -93.98587
    3     1 S   H    _H1_     3     1.02950    62.75234     9.27421
    4     1 S   H    _H2_     4     1.02828    47.78614   165.22587
    5     1 S   CT   _CA1     5     1.50110   142.07749    97.96781
    6     5 S   HC   _HA1     6     1.09573   105.19459   106.16580
    7     5 S   CO3  _C1_     7     1.53787   112.47202   -14.07927
    8     7 S   O2Z  _O11     8     1.26373   115.00691   -42.50918
    9     7 S   O2Z  _O12     9     1.26241   114.94712   136.63501
   10     5 S   CT   _CB1    10     1.53080   107.42125  -135.84466
   11    10 S   HC   HB11    11     1.09834   109.37490   -49.65649
   12    10 S   HC   HB12    12     1.09813   110.44831    66.95255
   13    10 S   CT   _CG1    13     1.52992   112.60486  -170.62646
   14    13 S   HC   HG11    14     1.09580   110.64593   -65.77107
   15    13 S   HC   HG12    15     1.09671   109.77151    53.46101
   16    13 S   C    _CD1    16     1.51799   112.20525   173.92691
   17    16 S   O    _OE1    17     1.22734   123.28345     7.66670
   18    16 S   N    _N2_    18     1.38659   111.69162  -172.43776
   19    18 S   H    _HN2    19     1.01579   118.93401     1.71144
   20    18 S   CT1  _CA2    20     1.46196   123.37727   177.29767
   21    20 S   HC   _HA2    21     1.09740   109.36257     3.56700
   22    20 S   C    _C2_    22     1.53593   108.61111  -111.89240
   23    22 S   O    _O2_    23     1.23062   122.26560  -147.87707
   24    20 S   CT   _CB2    32     1.53509   111.67427   125.58617
   25    24 S   HC   HB21    33     1.09488   109.54914    56.22396
   26    24 S   HC   HB22    34     1.09296   109.59237   175.08669
   27    22 S   N    _N3_    24     1.38319   113.73408    39.55929
   28    27 S   H    _HN3    25     1.01578   119.60035    -3.24938
   29    24 S   S    _SG2    35     1.82988   111.18556   -64.43844
   30    27 S   CT   _CA3    26     1.45289   123.23682   177.18200
   31    30 S   HC   HA31    27     1.09548   107.50950   -64.72080
   32    30 S   HC   HA32    28     1.09556   107.99160    51.72690
   33    29 S   CT   _C30    36     1.86832   102.23922  -174.00057
   34    30 S   CO3  _C3_    29     1.52967   114.05983   173.72593
   35    34 S   O2Z  _O31    30     1.26380   116.06105    -0.56786
   36    34 S   O2Z  _O32    31     1.26426   114.41681   179.49217
   37    33 S   CT   _C24    37     1.54124   104.83961  -169.15155
   38    37 S   HC   _H63    38     1.09606   112.26763   -62.39346
   39    37 S   HC   _H64    39     1.09714   111.61395    58.80733
   40    37 S   HC   _H65    40     1.09562   111.15966   177.47555
   41    33 S   CT   _C25    41     1.53618   109.70468   -52.64579
   42    41 S   HC   _H66    42     1.09504   111.88121    73.96726
   43    41 S   HC   _H67    43     1.09578   111.23660  -166.57357
   44    41 S   HC   _H68    44     1.09639   111.80221   -47.71046
   45    33 S   CT   _C29    45     1.55953   109.60692    70.92585
   46    45 S   HC   _H74    46     1.09562   110.00500   -60.51939
   47    45 S   CT   _C27    47     1.54232   114.47750   178.39015
   48    47 S   HC   _H71    48     1.09213   109.36521    52.88750
   49    47 S   HC   _H72    49     1.09595   109.87284   -65.78942
   50    45 S   OH   _O30   109     1.43164   110.08149    57.36845
   51    50 S   HO   _H76   110     0.97321   107.07839   -52.35595
   52    47 S   CT   _C26    50     1.54016   111.94977   174.17395
   53    52 S   HC   _H69    51     1.09446   107.89640    52.09682
   54    52 S   HC   _H70    52     1.09754   109.24403   -63.31223
   55    52 S   CT   _C28    53     1.55433   114.09454   173.81547
   56    55 S   HC   _H73    54     1.09743   107.53498   -52.79670
   57    55 S   CT   _C15    55     1.55936   110.17139  -171.08725
   58    57 S   HC   _H51    56     1.10090   107.04572   -57.49781
   59    55 S   CT   _C23   105     1.53201   110.25909    64.58957
   60    59 S   HC   _H60   106     1.09486   111.23829    68.86717
   61    59 S   HC   _H61   107     1.09135   111.36925  -169.75366
   62    59 S   HC   _H62   108     1.09298   112.09944   -52.11497
   63    57 S   CT   _C6_    57     1.55863   111.87323    59.42726
   64    63 S   HC   _H36    58     1.09604   112.02176    29.16050
   65    63 S   HC   _H37    59     1.09599   110.17251   -90.50021
   66    63 S   CT   _C4_    60     1.53268   107.38501   149.31588
   67    66 S   HC   _H32    61     1.09479   111.24657   130.52403
   68    66 S   HC   _H33    62     1.09579   110.48476  -110.14565
   69    66 S   CT   _C12    63     1.52089   103.88326     9.60007
   70    69 S   HC   _H48    64     1.10339   106.06626    78.02578
   71    69 S   CT   _C14    65     1.53643   117.67372  -163.07842
   72    71 S   HC   _H50    66     1.09449   108.70012    60.95754
   73    71 S   CT   _C10    67     1.53992   110.13757   -56.12096
   74    73 S   HC   _H44    68     1.09767   110.33750   -38.35042
   75    73 S   HC   _H45    69     1.09701   108.83427    77.60919
   76    71 S   CT   _C13    85     1.56096   109.43343  -179.73166
   77    76 S   HC   _H49    86     1.10129   106.28584    66.81017
   78    73 S   C3T  _C16    70     1.49291   114.48513  -160.51564
   79    78 S   HC   _H52    71     1.08144   113.37073  -148.02428
   80    76 S   CT   _C5_    87     1.55060   112.49314   -47.64109
   81    80 S   HC   _H34    88     1.09330   110.81450   -75.47569
   82    80 S   HC   _H35    89     1.09612   109.50340   167.83843
   83    78 S   C3T  _C20    72     1.51104   123.42807    11.99301
   84    80 S   CT   _C8_    90     1.53746   114.21437    47.17654
   85    84 S   HC   _H40    91     1.09772   108.72426    68.42264
   86    84 S   HC   _H41    92     1.09280   107.93945  -176.73517
   87    83 S   CT   _C11    73     1.50494   120.42964  -166.13293
   88    87 S   HC   _H46    74     1.09624   110.62265    92.37266
   89    87 S   HC   _H47    75     1.09801   111.19728   -23.75478
   90    57 S   CT   _C18    93     1.56234   119.78754   179.78878
   91    78 S   O3T  _O28   104     1.43953   111.66322    77.32337
   92    87 S   CT   _C17    76     1.52816   110.33036  -144.86472
   93    92 S   HC   _H53    77     1.09683   109.41843    68.76209
   94    90 S   CT   _C21    94     1.54737   110.93130   -44.88220
   95    94 S   HC   _H54    95     1.09461   112.34317   -47.10690
   96    94 S   HC   _H55    96     1.09314   112.76312  -167.78973
   97    94 S   HC   _H56    97     1.09452   111.03703    72.72246
   98    92 S   CT   _C7_    78     1.52936   111.79079   -52.60536
   99    98 S   HC   _H38    79     1.09671   109.97267   -70.35440
  100    98 S   HC   _H39    80     1.09728   109.31850   174.86348
  101    92 S   OH   _O29   102     1.42351   108.70466  -173.70646
  102   101 S   HO   _H75   103     0.97247   107.51678  -179.28564
  103    98 S   CT   _C9_    81     1.53321   112.29014    53.23123
  104   103 S   HC   _H42    82     1.09812   108.00042    68.08549
  105   103 S   HC   _H43    83     1.09603   108.22378  -176.67922
  106    83 S   CT   _C19    84     1.52951   119.51964    -6.63306
  107   106 S   CT   _C22    98     1.55124   108.70450   -94.94171
  108   107 S   HC   _H57    99     1.09391   111.90592    60.76729
  109   107 S   HC   _H58   100     1.09423   112.30864   -57.95361
  110   107 S   HC   _H59   101     1.09342   112.05272  -177.33061
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  16   2   1   1  11   4   3   2   7   3   2   1  10   6  11   6
   5   2   1  12   5   4  15   8  23   9   5   2   1   1  11   6
   5  11   5   4  19   7  19   9  12   6   5  21   8  10   4  11
   6   5  16   8   3   2  13   7   6   4   4  10   6   3   2   1
   1   9   6   5   2   1   7   3   2   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    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    52    50    51  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    50  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    50  
   43    44    45  
   44    45  
   45  
   46    47    48    49    52    53    54    55    50    51  
   47    48    49    52    50    51  
   48    49    52    53    54    55    56    57    59    50    51  
   49    52    53    54    55    50  
   52    53    54    55    50  
   51    52  
    0  
   53    54    55    56    57    58    63    90    59    60    61    62  
   54    55    56    57    59  
   55    56    57    59  
   56    57    58    63    64    65    66    69    84    90    94    59    60    61    62  
   57    58    63    90    59    60    61    62  
   58    63    64    65    66    67    68    69    70    71    80    84    85    86    90    94    95    96    97    59    60    61    62  
   63    64    65    66    69    84    90    94    59  
   60    61    62    63    90  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    71    84    90    94  
   65    66    67    68    69    90  
   66    67    68    69    90  
   67    68    69    70    71    72    73    76    84    90    94  
   68    69    70    71    90  
   69    70    71    90  
   70    71    72    73    74    75    78   106    76    77    80    84    85    86    90    94    95    96    97  
   71    72    73    76    84    90    94  
   72    73    74    75    78    79    83   103   106    76    77    80    81    82    84    90    94   107    91  
   73    74    75    78   106    76    77    80    90  
   74    75    78    79    83    87   106    76    77    80    90    91  
   75    78    79    83    76    91  
   78    79    83    76    91  
   77    80    81    82    84    85    86    90   107   108   109   110    91    78    83    87    98   103   104   105   106  
   80    81    82    84   107    83   103   106  
   79    83    87    88    89    92   103   106   107    91  
   83    87   106    91  
   81    82    84    85    86    90    94   107    83   103   106  
   82    84    85    86    90   106  
   84    85    86    90   106  
   87    88    89    92    93    98   103   104   105   106   107   108   109   110   101    91  
   85    86    90    94    95    96    97   106  
   86    90    94  
   90    94  
   88    89    92    93    98    99   100   103   106   107   101   102    91  
   89    92    93    98   106   101    91  
   92    93    98   106   101    91  
   94    95    96    97  
   92   103   106   107  
   93    98    99   100   103   104   105   106   101   102  
   98    99   100   103   101   102  
   95    96    97  
   96    97  
   97  
    0  
   99   100   103   104   105   106   107   101   102  
  100   103   104   105   106   101  
  103   104   105   106   101  
  102   103  
    0  
  104   105   106   107   108   109   110  
  105   106   107  
  106   107  
  107   108   109   110  
  108   109   110  
  109   110  
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  103   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    50   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   268.000  1.529
   57    58   340.000  1.090
   57    63   268.000  1.529
   57    90   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    90   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   275.000  1.510
   78    79   340.000  1.088
   78    83   260.000  1.509
   78    91   335.000  1.432
   83    87   275.000  1.510
   83   106   275.000  1.510
   83    91   335.000  1.432
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    92   268.000  1.529
   92    93   340.000  1.090
   92    98   268.000  1.529
   92   101   320.000  1.410
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  106    76   268.000  1.529
  106   107   268.000  1.529
   76    77   340.000  1.090
   76    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    90   268.000  1.529
   90    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  101   102   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   50    51   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  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   33    45    50    50.00000  109.50000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    52    58.35000  112.70000
   45    50    51    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    59    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    63    58.35000  112.70000
   55    57    90    58.35000  112.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   57    55    56    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    66    58.35000  112.70000
   57    90    69    58.35000  112.70000
   57    90    84    58.35000  112.70000
   57    90    94    58.35000  112.70000
   63    57    58    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    90    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    72    37.50000  110.70000
   69    71    73    58.35000  112.70000
   69    71    76    58.35000  112.70000
   69    90    84    58.35000  112.70000
   69    90    94    58.35000  112.70000
   71    69    70    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    78    70.00000  112.37300
   71    76   106    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    80    58.35000  112.70000
   73    71    72    37.50000  110.70000
   73    78    79    40.00000  115.04500
   73    78    83    60.00000  120.94000
   73    78    91    80.00000  116.47100
   75    73    74    33.00000  107.80000
   78    73    74    45.00000  109.38400
   78    73    75    45.00000  109.38400
   78    83    87    60.00000  120.94000
   78    83   106    60.00000  120.94000
   78    83    91    15.00000   60.43100
   78    91    83    15.00000   59.14900
   83    78    79    37.50000  117.20000
   83    87    88    45.00000  109.38400
   83    87    89    45.00000  109.38400
   83    87    92    70.00000  112.37300
   83   106   103    70.00000  112.37300
   83   106    76    70.00000  112.37300
   83   106   107    70.00000  112.37300
   87    92    93    37.50000  110.70000
   87    92    98    58.35000  112.70000
   87    92   101    50.00000  109.50000
   89    87    88    33.00000  107.80000
   92    87    88    37.50000  110.70000
   92    87    89    37.50000  110.70000
   92    98    99    37.50000  110.70000
   92    98   100    37.50000  110.70000
   92    98   103    58.35000  112.70000
   92   101   102    55.00000  108.50000
   98    92    93    37.50000  110.70000
   98   103   104    37.50000  110.70000
   98   103   105    37.50000  110.70000
   98   103   106    58.35000  112.70000
  100    98    99    33.00000  107.80000
  103    98    99    37.50000  110.70000
  103    98   100    37.50000  110.70000
  103   106    76    58.35000  112.70000
  103   106   107    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106    83    87    58.35000  112.70000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  106    76    77    37.50000  110.70000
  106    76    80    58.35000  112.70000
  106   107   108    37.50000  110.70000
  106   107   109    37.50000  110.70000
  106   107   110    37.50000  110.70000
   76    71    72    37.50000  110.70000
   76    71    73    58.35000  112.70000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    84    58.35000  112.70000
   80    76    77    37.50000  110.70000
   80    84    85    37.50000  110.70000
   80    84    86    37.50000  110.70000
   80    84    90    58.35000  112.70000
   82    80    81    33.00000  107.80000
   84    80    81    37.50000  110.70000
   84    80    82    37.50000  110.70000
   84    90    94    58.35000  112.70000
   86    84    85    33.00000  107.80000
   90    57    58    37.50000  110.70000
   90    57    63    58.35000  112.70000
   90    69    70    37.50000  110.70000
   90    69    71    58.35000  112.70000
   90    84    85    37.50000  110.70000
   90    84    86    37.50000  110.70000
   90    94    95    37.50000  110.70000
   90    94    96    37.50000  110.70000
   90    94    97    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
  107   106    76    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
  101    92    93    35.00000  109.50000
  101    92    98    50.00000  109.50000
   91    78    79    50.00000  114.27700
   91    78    83    15.00000   60.43100
   91    83    87    80.00000  116.47100
   91    83   106    80.00000  116.47100
   59    55    56    37.50000  110.70000
   59    55    57    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
   50    45    46    35.00000  109.50000
   50    45    47    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
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   87    83   106    76  -0.07550 -1.0 2.0
   87    83   106    76   0.20000  1.0 3.0
   87    83   106   107   0.56750  1.0 1.0
   87    83   106   107  -0.07550 -1.0 2.0
   87    83   106   107   0.20000  1.0 3.0
   87    83   -91    78   0.06250  1.0 1.0
   87    83   -91    78  -0.01100 -1.0 2.0
   87    83   -91    78   0.28050  1.0 3.0
   87    92    98    99   0.15000  1.0 3.0
   87    92    98   100   0.15000  1.0 3.0
   87    92   -98   103   0.56750  1.0 1.0
   87    92   -98   103  -0.07550 -1.0 2.0
   87    92   -98   103   0.20000  1.0 3.0
   87    92   101   102  -0.11600  1.0 1.0
   87    92   101   102  -0.09450 -1.0 2.0
   87    92   101   102   0.21250  1.0 3.0
   88    87    92    93   0.15000  1.0 3.0
   88    87    92    98   0.15000  1.0 3.0
   88    87    92   101   0.23400  1.0 3.0
   89    87    92    93   0.15000  1.0 3.0
   89    87    92    98   0.15000  1.0 3.0
   89    87    92   101   0.23400  1.0 3.0
   92    98   103   104   0.15000  1.0 3.0
   92    98   103   105   0.15000  1.0 3.0
   92    98   103   106   0.56750  1.0 1.0
   92    98   103   106  -0.07550 -1.0 2.0
   92    98   103   106   0.20000  1.0 3.0
   93    92    98    99   0.15000  1.0 3.0
   93    92    98   100   0.15000  1.0 3.0
   93    92    98   103   0.15000  1.0 3.0
   93    92   101   102   0.19450  1.0 3.0
   98    92   101   102  -0.11600  1.0 1.0
   98    92   101   102  -0.09450 -1.0 2.0
   98    92   101   102   0.21250  1.0 3.0
   98   103  -106    83   0.47050  1.0 1.0
   98   103  -106    83   0.03900 -1.0 2.0
   98   103  -106    83   0.20100  1.0 3.0
   98   103   106    76   0.56750  1.0 1.0
   98   103   106    76  -0.07550 -1.0 2.0
   98   103   106    76   0.20000  1.0 3.0
   98   103   106   107   0.56750  1.0 1.0
   98   103   106   107  -0.07550 -1.0 2.0
   98   103   106   107   0.20000  1.0 3.0
   99    98   103   104   0.15000  1.0 3.0
   99    98   103   105   0.15000  1.0 3.0
   99    98   103   106   0.15000  1.0 3.0
  100    98   103   104   0.15000  1.0 3.0
  100    98   103   105   0.15000  1.0 3.0
  100    98   103   106   0.15000  1.0 3.0
  103   106    76    71   0.56750  1.0 1.0
  103   106    76    71  -0.07550 -1.0 2.0
  103   106    76    71   0.20000  1.0 3.0
  103   106    76    77   0.15000  1.0 3.0
  103   106    76    80   0.56750  1.0 1.0
  103   106    76    80  -0.07550 -1.0 2.0
  103   106    76    80   0.20000  1.0 3.0
  103   106   107   108   0.15000  1.0 3.0
  103   106   107   109   0.15000  1.0 3.0
  103   106   107   110   0.15000  1.0 3.0
  104   103   106    83   0.15000  1.0 3.0
  104   103   106    76   0.15000  1.0 3.0
  104   103   106   107   0.15000  1.0 3.0
  105   103   106    83   0.15000  1.0 3.0
  105   103   106    76   0.15000  1.0 3.0
  105   103   106   107   0.15000  1.0 3.0
  106    83    87    88   0.15000  1.0 3.0
  106    83    87    89   0.15000  1.0 3.0
  106    83   -87    92   0.56750  1.0 1.0
  106    83   -87    92  -0.07550 -1.0 2.0
  106    83   -87    92   0.20000  1.0 3.0
  106    83   -91    78   0.06250  1.0 1.0
  106    83   -91    78  -0.01100 -1.0 2.0
  106    83   -91    78   0.28050  1.0 3.0
  106    76    80    81   0.15000  1.0 3.0
  106    76    80    82   0.15000  1.0 3.0
  106    76    80    84   0.56750  1.0 1.0
  106    76    80    84  -0.07550 -1.0 2.0
  106    76    80    84   0.20000  1.0 3.0
   76    71    73    74   0.15000  1.0 3.0
   76    71    73    75   0.15000  1.0 3.0
   76    71   -73    78   0.47050  1.0 1.0
   76    71   -73    78   0.03900 -1.0 2.0
   76    71   -73    78   0.20100  1.0 3.0
   76   106   107   108   0.15000  1.0 3.0
   76   106   107   109   0.15000  1.0 3.0
   76   106   107   110   0.15000  1.0 3.0
   76    80    84    85   0.15000  1.0 3.0
   76    80    84    86   0.15000  1.0 3.0
   76    80    84    90   0.56750  1.0 1.0
   76    80    84    90  -0.07550 -1.0 2.0
   76    80    84    90   0.20000  1.0 3.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    82   0.15000  1.0 3.0
   77    76    80    84   0.15000  1.0 3.0
   80    84    90    57   0.56750  1.0 1.0
   80    84    90    57  -0.07550 -1.0 2.0
   80    84    90    57   0.20000  1.0 3.0
   80    84   -90    69   0.56750  1.0 1.0
   80    84   -90    69  -0.07550 -1.0 2.0
   80    84   -90    69   0.20000  1.0 3.0
   80    84    90    94   0.56750  1.0 1.0
   80    84    90    94  -0.07550 -1.0 2.0
   80    84    90    94   0.20000  1.0 3.0
   81    80    84    85   0.15000  1.0 3.0
   81    80    84    86   0.15000  1.0 3.0
   81    80    84    90   0.15000  1.0 3.0
   82    80    84    85   0.15000  1.0 3.0
   82    80    84    86   0.15000  1.0 3.0
   82    80    84    90   0.15000  1.0 3.0
   84    90    94    95   0.15000  1.0 3.0
   84    90    94    96   0.15000  1.0 3.0
   84    90    94    97   0.15000  1.0 3.0
   85    84    90    57   0.15000  1.0 3.0
   85    84    90    69   0.15000  1.0 3.0
   85    84    90    94   0.15000  1.0 3.0
   86    84    90    57   0.15000  1.0 3.0
   86    84    90    69   0.15000  1.0 3.0
   86    84    90    94   0.15000  1.0 3.0
   90    57    63    64   0.15000  1.0 3.0
   90    57    63    65   0.15000  1.0 3.0
   90    57   -63    66   0.56750  1.0 1.0
   90    57   -63    66  -0.07550 -1.0 2.0
   90    57   -63    66   0.20000  1.0 3.0
   90    69    71    72   0.15000  1.0 3.0
   90    69    71    73   0.56750  1.0 1.0
   90    69    71    73  -0.07550 -1.0 2.0
   90    69    71    73   0.20000  1.0 3.0
   90    69   -71    76   0.56750  1.0 1.0
   90    69   -71    76  -0.07550 -1.0 2.0
   90    69   -71    76   0.20000  1.0 3.0
  107   106    76    71   0.56750  1.0 1.0
  107   106    76    71  -0.07550 -1.0 2.0
  107   106    76    71   0.20000  1.0 3.0
  107   106    76    77   0.15000  1.0 3.0
  107   106    76    80   0.56750  1.0 1.0
  107   106    76    80  -0.07550 -1.0 2.0
  107   106    76    80   0.20000  1.0 3.0
  101    92    98    99   0.23400  1.0 3.0
  101    92    98   100   0.23400  1.0 3.0
  101    92    98   103   0.86500  1.0 1.0
  101    92    98   103  -0.17500 -1.0 2.0
  101    92    98   103   0.20800  1.0 3.0
   91    78   -83    87   0.02550  1.0 1.0
   91    78   -83    87  -0.02600 -1.0 2.0
   91    78   -83    87   1.20400  1.0 3.0
   91    78   -83   106   0.02550  1.0 1.0
   91    78   -83   106  -0.02600 -1.0 2.0
   91    78   -83   106   1.20400  1.0 3.0
   91    83    87    88   0.23400  1.0 3.0
   91    83    87    89   0.23400  1.0 3.0
   91    83    87    92   0.02550  1.0 1.0
   91    83    87    92  -0.02600 -1.0 2.0
   91    83    87    92   1.20400  1.0 3.0
   91    83   106   103   0.02550  1.0 1.0
   91    83   106   103  -0.02600 -1.0 2.0
   91    83   106   103   1.20400  1.0 3.0
   91    83   106    76   0.02550  1.0 1.0
   91    83   106    76  -0.02600 -1.0 2.0
   91    83   106    76   1.20400  1.0 3.0
   91    83   106   107   0.02550  1.0 1.0
   91    83   106   107  -0.02600 -1.0 2.0
   91    83   106   107   1.20400  1.0 3.0
   59    55    57    58   0.15000  1.0 3.0
   59    55    57    63   0.56750  1.0 1.0
   59    55    57    63  -0.07550 -1.0 2.0
   59    55    57    63   0.20000  1.0 3.0
   59    55    57    90   0.56750  1.0 1.0
   59    55    57    90  -0.07550 -1.0 2.0
   59    55    57    90   0.20000  1.0 3.0
   50    45    47    48   0.23400  1.0 3.0
   50    45    47    49   0.23400  1.0 3.0
   50    45    47    52   0.86500  1.0 1.0
   50    45    47    52  -0.17500 -1.0 2.0
   50    45    47    52   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
END
