* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    226    366     685
    1     0 S   NP   _N1_     1    28.51199    95.05605   -20.34061
    2     1 S   H    _HN1     2     1.02781    90.73226   -91.56432
    3     1 S   H    _H1_     3     1.02948    81.25839    16.97042
    4     1 S   H    _H2_     4     1.02827    38.03071   149.54187
    5     1 S   CT   _CA1     5     1.50164   147.73528   131.55115
    6     5 S   HC   _HA1     6     1.09563   105.13346    71.03069
    7     5 S   CO3  _C1_     7     1.53787   112.54844   -49.11521
    8     7 S   O2Z  _O11     8     1.26389   114.95146   -36.57661
    9     7 S   O2Z  _O12     9     1.26230   115.01709   142.52152
   10     5 S   CT   _CB1    10     1.53081   107.39957  -170.82926
   11    10 S   HC   HB11    11     1.09834   109.42263   -47.10797
   12    10 S   HC   HB12    12     1.09816   110.39238    69.52441
   13    10 S   CT   _CG1    13     1.53016   112.70853  -168.00379
   14    13 S   HC   HG11    14     1.09546   110.68064   -66.74521
   15    13 S   HC   HG12    15     1.09663   109.76229    52.50259
   16    13 S   C    _CD1    16     1.51837   112.07372   172.99722
   17    16 S   O    _OE1    17     1.22744   123.17239    10.83672
   18    16 S   N    _N2_    18     1.38631   111.79534  -169.67699
   19    18 S   H    _HN2    19     1.01581   118.99222     1.29013
   20    18 S   CT1  _CA2    20     1.46353   123.40195   178.41984
   21    20 S   HC   _HA2    21     1.09739   109.39022    -2.95764
   22    20 S   C    _C2_    22     1.53427   108.45255  -118.43021
   23    22 S   O    _O2_    23     1.23030   122.34367  -147.99687
   24    20 S   CT   _CB2    32     1.53439   111.37789   119.11385
   25    24 S   HC   HB21    33     1.09192   109.30419    58.36634
   26    24 S   HC   HB22    34     1.09517   110.37680   176.43927
   27    22 S   N    _N3_    24     1.38353   113.52194    39.44536
   28    27 S   H    _HN3    25     1.01614   119.49318    -3.47469
   29    24 S   S    _SG2    35     1.82893   110.50086   -64.89286
   30    27 S   CT   _CA3    26     1.45275   123.22902   177.08174
   31    30 S   HC   HA31    27     1.09549   107.52110   -64.30545
   32    30 S   HC   HA32    28     1.09556   107.97256    52.13016
   33    29 S   CT   _C24    36     1.90383   103.49085   149.08977
   34    30 S   CO3  _C3_    29     1.52959   114.06994   174.11773
   35    34 S   O2Z  _O31    30     1.26378   116.06197    -0.68300
   36    34 S   O2Z  _O32    31     1.26426   114.41717   179.37913
   37    33 S   CT   _C29    37     1.53873   107.53546    55.17249
   38    37 S   HC   _H42    38     1.09518   111.87234   -58.23273
   39    37 S   HC   _H43    39     1.09530   111.58908  -176.15269
   40    33 S   CT   _C23   101     1.55165   107.70168   -65.33240
   41    40 S   HC   _H36   102     1.09743   109.23618   172.80704
   42    40 S   HC   _H37   103     1.09413   111.93201    57.98975
   43    37 S   CO4  _C28    40     1.51708   111.20883    63.50706
   44    43 S   O    _O33    41     1.23185   120.92517  -137.49738
   45    43 S   CT   _C27    42     1.51425   117.86695    48.34934
   46    45 S   HC   _H40    43     1.09506   107.56959    82.02414
   47    45 S   HC   _H41    44     1.09602   108.47925  -162.46212
   48    45 S   CT   _C26    45     1.53140   113.80684   -41.06382
   49    48 S   HC   _H38    46     1.09695   107.52533   166.48158
   50    48 S   HC   _H39    47     1.09624   108.97078   -79.91555
   51    33 S   CT   _C25    48     1.60251   110.59347   174.59166
   52    51 S   CT   _C20    49     1.57545   108.13718    63.20538
   53    52 S   HC   _H7_    50     1.09011   104.92558   -58.77044
   54    51 S   CT   _C30   108     1.55935   112.46871  -175.92494
   55    54 S   HC   _H44   109     1.09157   113.41417   -55.17836
   56    54 S   HC   _H45   110     1.09552   110.84396  -176.03266
   57    54 S   HC   _H46   111     1.09331   112.72754    65.04958
   58    52 S   CT   _C19    51     1.53712   118.09396  -173.69388
   59    58 S   HC   _H32    52     1.09430   111.55818    46.04918
   60    58 S   HC   _H33    53     1.09682   109.88838   -72.00352
   61    58 S   CT   _C18    54     1.55219   111.81648   166.92275
   62    61 S   HC   _H30    55     1.09165   106.81363   157.35741
   63    61 S   HC   _H31    56     1.09784   108.30978   -90.37987
   64    61 S   CT   _C17    57     1.55179   114.36570    32.01912
   65    64 S   CT   _C16    58     1.54033   109.73074    25.79531
   66    65 S   HC   _H6_    59     1.10041   106.51385    58.72814
   67    64 S   CT   _C31   104     1.56139   108.76212   -97.85704
   68    67 S   HC   _H47   105     1.09427   112.31341  -176.84775
   69    67 S   HC   _H48   106     1.08877   114.18614    62.01407
   70    67 S   HC   _H49   107     1.09693   110.15484   -58.32729
   71    65 S   CT   _C15    60     1.51923   104.34006   169.36473
   72    71 S   HC   _H28    61     1.09474   112.18794  -160.56285
   73    71 S   HC   _H29    62     1.09452   112.24784    78.11613
   74    52 S   CT   _C21    96     1.55743   111.15267    58.75976
   75    74 S   HC   _H8_    97     1.09780   107.77698    54.83434
   76    71 S   CT   _C14    63     1.53360   103.10147   -40.65391
   77    76 S   HC   _H26    64     1.09537   110.33108   143.00572
   78    76 S   HC   _H27    65     1.09379   109.32708  -100.08477
   79    74 S   CT   _C22    98     1.52905   111.20572   -59.26830
   80    79 S   HC   _H34    99     1.09460   110.49498   -68.49144
   81    79 S   HC   _H35   100     1.09648   110.01354   174.25192
   82    64 S   CT   _C13    66     1.57420   118.48759   141.87620
   83    82 S   HC   _H5_    67     1.10011   107.35033    98.28104
   84    82 S   CT   _C5_    68     1.56038   119.56106   -20.28497
   85    84 S   HC   _H3_    69     1.09745   107.06870    55.85131
   86    84 S   CT   _C4_    70     1.53365   114.96984   -63.74988
   87    86 S   HC   _H9_    71     1.09382   112.02870   -66.98486
   88    86 S   HC   _H10    72     1.09153   112.24039    54.88064
   89    86 S   HC   _H11    73     1.09467   110.85738   173.04568
   90    84 S   CT   _C6_    74     1.55377   109.67944   170.76039
   91    90 S   HC   _H12    75     1.09729   108.83359   -48.48408
   92    90 S   HC   _H13    76     1.09534   109.46850    68.10314
   93    90 S   CT   _C7_    77     1.53501   113.61784  -169.25371
   94    93 S   HC   _H14    78     1.09545   110.08436   -68.54032
   95    93 S   HC   _H15    79     1.09786   108.47626    47.44809
   96    93 S   CT   _C8_    80     1.54803   113.75771   168.05920
   97    96 S   HC   _H4_    81     1.09922   106.87303   -61.10484
   98    96 S   CT   _C9_    82     1.53550   108.63980  -175.81919
   99    98 S   HC   _H16    83     1.09433   111.73640   -64.42463
  100    98 S   HC   _H17    84     1.09366   111.65509   173.98220
  101    98 S   HC   _H18    85     1.09586   110.47545    55.20400
  102    96 S   CT   _C10    86     1.55597   113.97181    56.90317
  103   102 S   HC   _H19    87     1.09714   107.77580   -58.78904
  104   102 S   CT   _C11    88     1.53106   113.94912    60.18064
  105   104 S   HC   _H20    89     1.09430   111.80109    62.62006
  106   104 S   HC   _H21    90     1.09376   111.56967   -58.86669
  107   104 S   HC   _H22    91     1.09579   110.39646  -177.80643
  108   102 S   CT   _C12    92     1.53343   111.94956  -174.82937
  109   108 S   HC   _H23    93     1.09446   111.97008   -70.36053
  110   108 S   HC   _H24    94     1.09491   110.94222    50.93140
  111   108 S   HC   _H25    95     1.09570   110.38693   170.09166
  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
  24   2   1   1  15   6   5  13   6   5   8   4   8   5   4  11
   4   3  14  20   9   5   2   1   1  12   6   5  15   5   4  21
  19   9   9   3   2   1  11   6   5   6   3   8   4   3   2   1
   1  11   4  12   8   7   3   2   1   9   5   4  12   5   4  15
   8   7   3   2   1   9   8   7   3   2   1   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    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    79    40    41    42    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    58    74    79    80    81    40    41    42    54    55    56    57  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    79    40    41    42    54  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    54    43    48    51    52    65    74    75    79    80    81  
   42    51    74    79    80    81  
   51    74    79    80    81  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    58    74    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    60    61    65    74    75    79    54    55    56    57  
   53    58    59    60    61    62    63    64    65    66    71    74    75    79    80    81    54    55    56    57  
   58    59    60    61    65    74    75    79    54  
   55    56    57    58    74  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    82    74    75    79    67  
   60    61    62    63    64    74  
   61    62    63    64    74  
   62    63    64    65    66    71    76    82    83    84    74    67    68    69    70  
   63    64    65    82    67  
   64    65    82    67  
   65    66    71    72    73    76    77    78    82    83    84    85    86    90    74    75    79    67    68    69    70  
   66    71    72    73    76    77    78    82    83    84    74    75    79    80    81    67    68    69    70  
   71    72    73    76    82    74    75    79    67  
   68    69    70    71    74    76    82    83    84  
   69    70    82  
   70    82  
   82  
   72    73    76    77    78    82    83    84    74    75    79  
   73    76    77    78    82    74  
   76    77    78    82    74  
   75    79    80    81    76    82  
   79    80    81  
   77    78    82    83    84    85    86    90  
   78    82    83    84  
   82    83    84  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89    90    91    92    93  
   84    85    86    90  
   85    86    87    88    89    90    91    92    93    94    95    96  
   86    87    88    89    90    91    92    93  
   87    88    89    90    91    92    93  
   88    89    90  
   89    90  
   90  
   91    92    93    94    95    96    97    98   102  
   92    93    94    95    96  
   93    94    95    96  
   94    95    96    97    98    99   100   101   102   103   104   108  
   95    96    97    98   102  
   96    97    98   102  
   97    98    99   100   101   102   103   104   105   106   107   108   109   110   111  
   98    99   100   101   102   103   104   108  
   99   100   101   102   103   104   108  
  100   101   102  
  101   102  
  102  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108  
  108  
  109   110   111  
  110   111  
  111  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.120000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  111   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    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   268.000  1.529
   51    54   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    74   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   268.000  1.529
   64    82   268.000  1.529
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    90   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   268.000  1.529
   96    97   340.000  1.090
   96    98   268.000  1.529
   96   102   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  102   103   340.000  1.090
  102   104   268.000  1.529
  102   108   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   74    75   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    40    79    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    58.35000  112.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    58    58.35000  112.70000
   51    52    74    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    58.35000  112.70000
   52    74    65    58.35000  112.70000
   52    74    75    37.50000  110.70000
   52    74    79    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    58.35000  112.70000
   61    64    82    58.35000  112.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    65    66    37.50000  110.70000
   64    65    71    58.35000  112.70000
   64    65    74    58.35000  112.70000
   64    82    76    58.35000  112.70000
   64    82    83    37.50000  110.70000
   64    82    84    58.35000  112.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    76    58.35000  112.70000
   65    74    75    37.50000  110.70000
   65    74    79    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    82    58.35000  112.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    64    65    58.35000  112.70000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    84    85    37.50000  110.70000
   82    84    86    58.35000  112.70000
   82    84    90    58.35000  112.70000
   84    82    83    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    88    37.50000  110.70000
   84    86    89    37.50000  110.70000
   84    90    91    37.50000  110.70000
   84    90    92    37.50000  110.70000
   84    90    93    58.35000  112.70000
   86    84    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    84    85    37.50000  110.70000
   90    84    86    58.35000  112.70000
   90    93    94    37.50000  110.70000
   90    93    95    37.50000  110.70000
   90    93    96    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   93    96    97    37.50000  110.70000
   93    96    98    58.35000  112.70000
   93    96   102    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    37.50000  110.70000
   96    98    99    37.50000  110.70000
   96    98   100    37.50000  110.70000
   96    98   101    37.50000  110.70000
   96   102   103    37.50000  110.70000
   96   102   104    58.35000  112.70000
   96   102   108    58.35000  112.70000
   98    96    97    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  102    96    97    37.50000  110.70000
  102    96    98    58.35000  112.70000
  102   104   105    37.50000  110.70000
  102   104   106    37.50000  110.70000
  102   104   107    37.50000  110.70000
  102   108   109    37.50000  110.70000
  102   108   110    37.50000  110.70000
  102   108   111    37.50000  110.70000
  104   102   103    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108   102   103    37.50000  110.70000
  108   102   104    58.35000  112.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   74    52    53    37.50000  110.70000
   74    52    58    58.35000  112.70000
   74    65    66    37.50000  110.70000
   74    65    71    58.35000  112.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    40    58.35000  112.70000
   79    74    75    37.50000  110.70000
   79    40    41    37.50000  110.70000
   79    40    42    37.50000  110.70000
   81    79    80    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    79    80    37.50000  110.70000
   40    79    81    37.50000  110.70000
   42    40    41    33.00000  107.80000
   67    64    65    58.35000  112.70000
   67    64    82    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
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   83    82    84    90   0.15000  1.0 3.0
   84    90    93    94   0.15000  1.0 3.0
   84    90    93    95   0.15000  1.0 3.0
   84    90    93    96   0.56750  1.0 1.0
   84    90    93    96  -0.07550 -1.0 2.0
   84    90    93    96   0.20000  1.0 3.0
   85    84    86    87   0.15000  1.0 3.0
   85    84    86    88   0.15000  1.0 3.0
   85    84    86    89   0.15000  1.0 3.0
   85    84    90    91   0.15000  1.0 3.0
   85    84    90    92   0.15000  1.0 3.0
   85    84    90    93   0.15000  1.0 3.0
   86    84    90    91   0.15000  1.0 3.0
   86    84    90    92   0.15000  1.0 3.0
   86    84    90    93   0.56750  1.0 1.0
   86    84    90    93  -0.07550 -1.0 2.0
   86    84    90    93   0.20000  1.0 3.0
   90    84    86    87   0.15000  1.0 3.0
   90    84    86    88   0.15000  1.0 3.0
   90    84    86    89   0.15000  1.0 3.0
   90    93    96    97   0.15000  1.0 3.0
   90    93    96    98   0.56750  1.0 1.0
   90    93    96    98  -0.07550 -1.0 2.0
   90    93    96    98   0.20000  1.0 3.0
   90    93    96   102   0.56750  1.0 1.0
   90    93    96   102  -0.07550 -1.0 2.0
   90    93    96   102   0.20000  1.0 3.0
   91    90    93    94   0.15000  1.0 3.0
   91    90    93    95   0.15000  1.0 3.0
   91    90    93    96   0.15000  1.0 3.0
   92    90    93    94   0.15000  1.0 3.0
   92    90    93    95   0.15000  1.0 3.0
   92    90    93    96   0.15000  1.0 3.0
   93    96    98    99   0.15000  1.0 3.0
   93    96    98   100   0.15000  1.0 3.0
   93    96    98   101   0.15000  1.0 3.0
   93    96   102   103   0.15000  1.0 3.0
   93    96   102   104   0.56750  1.0 1.0
   93    96   102   104  -0.07550 -1.0 2.0
   93    96   102   104   0.20000  1.0 3.0
   93    96   102   108   0.56750  1.0 1.0
   93    96   102   108  -0.07550 -1.0 2.0
   93    96   102   108   0.20000  1.0 3.0
   94    93    96    97   0.15000  1.0 3.0
   94    93    96    98   0.15000  1.0 3.0
   94    93    96   102   0.15000  1.0 3.0
   95    93    96    97   0.15000  1.0 3.0
   95    93    96    98   0.15000  1.0 3.0
   95    93    96   102   0.15000  1.0 3.0
   96   102   104   105   0.15000  1.0 3.0
   96   102   104   106   0.15000  1.0 3.0
   96   102   104   107   0.15000  1.0 3.0
   96   102   108   109   0.15000  1.0 3.0
   96   102   108   110   0.15000  1.0 3.0
   96   102   108   111   0.15000  1.0 3.0
   97    96    98    99   0.15000  1.0 3.0
   97    96    98   100   0.15000  1.0 3.0
   97    96    98   101   0.15000  1.0 3.0
   97    96   102   103   0.15000  1.0 3.0
   97    96   102   104   0.15000  1.0 3.0
   97    96   102   108   0.15000  1.0 3.0
   98    96   102   103   0.15000  1.0 3.0
   98    96   102   104   0.56750  1.0 1.0
   98    96   102   104  -0.07550 -1.0 2.0
   98    96   102   104   0.20000  1.0 3.0
   98    96   102   108   0.56750  1.0 1.0
   98    96   102   108  -0.07550 -1.0 2.0
   98    96   102   108   0.20000  1.0 3.0
  102    96    98    99   0.15000  1.0 3.0
  102    96    98   100   0.15000  1.0 3.0
  102    96    98   101   0.15000  1.0 3.0
  103   102   104   105   0.15000  1.0 3.0
  103   102   104   106   0.15000  1.0 3.0
  103   102   104   107   0.15000  1.0 3.0
  103   102   108   109   0.15000  1.0 3.0
  103   102   108   110   0.15000  1.0 3.0
  103   102   108   111   0.15000  1.0 3.0
  104   102   108   109   0.15000  1.0 3.0
  104   102   108   110   0.15000  1.0 3.0
  104   102   108   111   0.15000  1.0 3.0
  108   102   104   105   0.15000  1.0 3.0
  108   102   104   106   0.15000  1.0 3.0
  108   102   104   107   0.15000  1.0 3.0
   74    52    58    59   0.15000  1.0 3.0
   74    52    58    60   0.15000  1.0 3.0
   74    52   -58    61   0.56750  1.0 1.0
   74    52   -58    61  -0.07550 -1.0 2.0
   74    52   -58    61   0.20000  1.0 3.0
   74    65    71    72   0.15000  1.0 3.0
   74    65    71    73   0.15000  1.0 3.0
   74    65    71    76   0.56750  1.0 1.0
   74    65    71    76  -0.07550 -1.0 2.0
   74    65    71    76   0.20000  1.0 3.0
   74    79   -40    33   0.56750  1.0 1.0
   74    79   -40    33  -0.07550 -1.0 2.0
   74    79   -40    33   0.20000  1.0 3.0
   74    79    40    41   0.15000  1.0 3.0
   74    79    40    42   0.15000  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    40   0.15000  1.0 3.0
   80    79    40    33   0.15000  1.0 3.0
   80    79    40    41   0.15000  1.0 3.0
   80    79    40    42   0.15000  1.0 3.0
   81    79    40    33   0.15000  1.0 3.0
   81    79    40    41   0.15000  1.0 3.0
   81    79    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33   -51    52   0.56750  1.0 1.0
   40    33   -51    52  -0.07550 -1.0 2.0
   40    33   -51    52   0.20000  1.0 3.0
   40    33    51    54   0.56750  1.0 1.0
   40    33    51    54  -0.07550 -1.0 2.0
   40    33    51    54   0.20000  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.56750  1.0 1.0
   67    64    65    71  -0.07550 -1.0 2.0
   67    64    65    71   0.20000  1.0 3.0
   67    64    65    74   0.56750  1.0 1.0
   67    64    65    74  -0.07550 -1.0 2.0
   67    64    65    74   0.20000  1.0 3.0
   67    64    82    76   0.56750  1.0 1.0
   67    64    82    76  -0.07550 -1.0 2.0
   67    64    82    76   0.20000  1.0 3.0
   67    64    82    83   0.15000  1.0 3.0
   67    64    82    84   0.56750  1.0 1.0
   67    64    82    84  -0.07550 -1.0 2.0
   67    64    82    84   0.20000  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    74   0.56750  1.0 1.0
   54    51    52    74  -0.07550 -1.0 2.0
   54    51    52    74   0.20000  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
   37    45    43    44  10.50000 -1.0 2.0
END
