* LIGAND DATABASE FILE (OPLS2005)
*
001     116   125    235    395     697
    1     0 S   NP   _N1_     1    28.54168    95.35666   -22.84658
    2     1 S   H    _HN1     2     1.02785   101.47953   -99.24988
    3     1 S   H    _H1_     3     1.02951    81.48341     7.88862
    4     1 S   H    _H2_     4     1.02829    30.51381   154.92045
    5     1 S   CT   _CA1     5     1.50120   137.24066   118.80639
    6     5 S   HC   _HA1     6     1.09574   105.18985    77.90564
    7     5 S   CO3  _C1_     7     1.53782   112.44081   -42.30626
    8     7 S   O2Z  _O11     8     1.26370   115.00164   -42.75546
    9     7 S   O2Z  _O12     9     1.26237   114.93403   136.32115
   10     5 S   CT   _CB1    10     1.53076   107.41562  -164.13425
   11    10 S   HC   HB11    11     1.09833   109.34646   -49.82845
   12    10 S   HC   HB12    12     1.09813   110.45587    66.76692
   13    10 S   CT   _CG1    13     1.52994   112.62606  -170.81947
   14    13 S   HC   HG11    14     1.09585   110.61674   -65.86017
   15    13 S   HC   HG12    15     1.09670   109.80776    53.37872
   16    13 S   C    _CD1    16     1.51805   112.21191   173.80052
   17    16 S   O    _OE1    17     1.22742   123.29190     6.51500
   18    16 S   N    _N2_    18     1.38647   111.67737  -173.61475
   19    18 S   H    _HN2    19     1.01589   118.97783     1.29604
   20    18 S   CT1  _CA2    20     1.46174   123.33970   177.59043
   21    20 S   HC   _HA2    21     1.09743   109.36937     0.25023
   22    20 S   C    _C2_    22     1.53537   108.65936  -115.19942
   23    22 S   O    _O2_    23     1.23058   122.27515  -148.90001
   24    20 S   CT   _CB2    32     1.53461   111.68960   122.24395
   25    24 S   HC   HB21    33     1.09474   109.36371    56.35237
   26    24 S   HC   HB22    34     1.09174   109.47372   174.79278
   27    22 S   N    _N3_    24     1.38319   113.67645    38.60168
   28    27 S   H    _HN3    25     1.01597   119.55689    -3.53513
   29    24 S   S    _SG2    35     1.83090   110.95031   -64.09539
   30    27 S   CT   _CA3    26     1.45283   123.21143   177.07812
   31    30 S   HC   HA31    27     1.09550   107.52748   -64.14331
   32    30 S   HC   HA32    28     1.09557   107.96419    52.29201
   33    29 S   CT   _C34    36     1.88529   103.30388  -168.33938
   34    30 S   CO3  _C3_    29     1.52958   114.07700   174.27272
   35    34 S   O2Z  _O31    30     1.26376   116.05993    -0.64740
   36    34 S   O2Z  _O32    31     1.26427   114.41582   179.40983
   37    33 S   CR3  _C33    37     1.50954   112.85990   -31.18580
   38    33 S   CT   _C21    61     1.55020   111.26181  -154.90482
   39    38 S   HC   _H7_    62     1.10486   108.84039   178.96353
   40    37 S   CA   _C32    38     1.40869   119.78033   111.28726
   41    38 S   CO4  _C20    63     1.52125    97.85987   -72.22740
   42    41 S   O    _O34    64     1.22298   126.49726   145.31499
   43    40 S   CA   _C31    39     1.39934   119.26062   177.17513
   44    43 S   HA   _H24    40     1.08770   120.11129  -178.43677
   45    41 S   CT   _C15    65     1.54692   109.32059   -36.72485
   46    43 S   CA   _C30    41     1.39804   120.78938     1.93987
   47    46 S   HA   _H23    42     1.08561   117.67415   179.39997
   48    45 S   CT   _C16    66     1.55681   111.55398   134.84887
   49    48 S   HC   _H17    67     1.09436   113.15702   -31.28321
   50    48 S   HC   _H18    68     1.09504   111.47118  -152.48304
   51    33 S   NT   _N5_   105     1.48228   112.86640    96.39537
   52    46 S   CA   _C29    43     1.39645   120.37313     1.14808
   53    48 S   CT   _C17    69     1.53452   103.64892    87.80656
   54    53 S   HC   _H5_    70     1.09915   106.98671   -79.30685
   55    51 S   CT   _C35   106     1.44056   114.94647   -75.70101
   56    55 S   HC   _H25   107     1.09051   112.81710   176.26750
   57    55 S   HC   _H26   108     1.09366   111.88939    57.68849
   58    37 S   CA   _C28    44     1.40359   120.78374   -67.76752
   59    53 S   CT   _C18    71     1.54344   120.54673   156.17753
   60    59 S   HC   _H6_    72     1.09600   110.24267    63.52288
   61    53 S   CT   _C7_    84     1.51771   103.53336    36.87455
   62    40 S   CT   _C36   109     1.51551   121.23328    -1.34683
   63    62 S   HC   _H27   110     1.09815   107.47316   109.61395
   64    62 S   HC   _H28   111     1.09662   109.44744  -133.74565
   65    52 S   OS   _O36   112     1.37142   125.17768   176.57029
   66    58 S   OS   _O35    45     1.37816   120.52049    13.45804
   67    59 S   CT   _C19    73     1.56119   115.50821   -61.90797
   68    67 S   HC   _H19    74     1.09331   112.19091  -155.24632
   69    67 S   HC   _H20    75     1.09842   106.67417    88.33128
   70    61 S   CT   _C6_    85     1.52790   110.75112  -164.43698
   71    70 S   HC   _H13    86     1.09707   111.41608  -178.32871
   72    70 S   HC   _H14    87     1.09787   109.13281    64.47022
   73    59 S   NP   _N4_    91     1.55292   104.45817   176.18423
   74    73 S   H    _H3_    92     1.02946   104.95234   -55.02358
   75    45 S   CT   _C14    97     1.57568   105.71380  -109.65026
   76    75 S   HC   _H4_    98     1.09703   111.30392     8.13902
   77    65 S   CT   _C37   113     1.42231   117.09518     1.79013
   78    77 S   HC   _H29   114     1.09427   107.72838   179.26725
   79    77 S   HC   _H30   115     1.09497   111.15676    61.52143
   80    77 S   HC   _H31   116     1.09492   111.11439   -63.01427
   81    66 S   CA   _C27    46     1.37565   119.54553   -73.27902
   82    67 S   CA   _C9_    76     1.50630   114.72705   -29.23070
   83    70 S   CT   _C5_    88     1.53477   111.93815   -55.95449
   84    83 S   HC   _H11    89     1.09539   110.29285   164.32246
   85    83 S   HC   _H12    90     1.09467   112.07275   -74.64852
   86    73 S   CT   _C4_    93     1.50526   113.96902  -168.35554
   87    86 S   HC   _H8_    94     1.09174   109.32728   -74.64227
   88    86 S   HC   _H9_    95     1.09270   108.28137    46.86713
   89    86 S   HC   _H10    96     1.09347   107.63893   165.55718
   90   102 S   OS   _O33    99     1.37701   126.63092   167.93177
   91    81 S   CA   _C22    47     1.40256   125.59795    49.88428
   92    82 S   CA   _C10    77     1.39383   124.27244   175.26848
   93    92 S   HA   _H15    78     1.08718   120.35734     9.28857
   94    91 S   CA   _C23    48     1.40864   116.95232   179.92598
   95    94 S   HA   _H21    49     1.08790   120.49811   174.97126
   96    92 S   CA   _C11    79     1.41346   120.39009  -167.86440
   97    96 S   HA   _H16    80     1.08653   117.37712   179.43352
   98    94 S   CA   _C24    50     1.40074   122.33645    -4.09945
   99    98 S   HA   _H22    51     1.08558   117.70504  -179.23153
  100    96 S   CA   _C12    81     1.40411   121.09836     3.40559
  101    98 S   CA   _C25    52     1.39028   120.27041     1.34872
  102   100 S   CA   _C13    82     1.38236   116.88601    -3.49099
  103   100 S   OS   _O39   100     1.36388   126.45210   174.00809
  104    81 S   CA   _C26    53     1.40890   113.96125  -134.46557
  105   101 S   OS   _O38    56     1.36898   125.43947  -179.82086
  106    82 S   CR3  _C8_    83     1.37828   118.31398     3.98929
  107   103 S   CT   _C39   101     1.42224   116.67692     0.95100
  108   107 S   HC   _H36   102     1.09427   107.76522   179.78239
  109   107 S   HC   _H37   103     1.09503   111.14933    61.97824
  110   107 S   HC   _H38   104     1.09505   111.10959   -62.46332
  111   104 S   OH   _O37    54     1.37504   119.78531     2.38064
  112   111 S   HO   _H32    55     0.97362   107.73917     2.15776
  113   105 S   CT   _C38    57     1.42233   117.05495     3.08832
  114   113 S   HC   _H33    58     1.09429   107.75220   178.18059
  115   113 S   HC   _H34    59     1.09507   111.21225    60.38620
  116   113 S   HC   _H35    60     1.09493   111.07299   -64.11849
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  21   2   1   1  19  17   7  14  15   5  10   4  19   7   3  16
   7   6  13   8  20   8   6   4   3   7  19   9  16   2   1   1
   5   6  12   5   4  14   7   6   9   7   7   3   3   2   1   1
   9   8   7   2   1   3   2   1   1   5   7   7   4   6   3   6
   3   6   3   7   8   3   5   4   5   1   3   2   1   1   1   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    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    58    91    38    39    41    45    51    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    43    52    58    66    81    91    94    38    39    41    42    45    48    75    51    55    56    57    62  
   35    36  
   36  
    0  
   40    43    44    46    52    58    66    81    91    38    39    41    45    51    55    62    63    64    65  
   39    41    42    45    48    75    51    55    40    58    66    81    91    94    95    98   104  
   41    42    45    51    81    91    94  
   43    44    46    47    52    58    66    51    55    56    57    62    63    64  
   42    45    48    49    50    53    61    75    76    90    51    55    81    91    94  
   45    48    75    51    91  
   44    46    47    52    58    55    62    63    64    65  
   46    47    52    62  
   48    49    50    53    54    59   102   106    61    70    75    76    90    51    55    56    57    62    91  
   47    52    58    66    62    65    77  
   52    58    65  
   49    50    53    54    59    60    67   106    61    70    73    75    76    90    51    55  
   50    53    54    59    61    75    51  
   53    54    59    61    75    51  
   55    56    57    62    63    64    53    58    61    75    76    90    91  
   58    66    81    65    77    78    79    80  
   54    59    60    67    68    69    82   102   106    61    70    71    72    83    73    74    86    75    76    90  
   59    60    67   106    61    70    73    75  
   56    57    62    63    64    75  
   57    62    63    64  
   62    63    64  
   66    81    91   104    62    65    77  
   60    67    68    69    82    92   106    61    70    83    84    85    73    74    86    87    88    89    75  
   67    68    69    82    61    83    73    74    86  
   70    71    72    83    84    85    73    75    76    90    67    82    92   100   102   106  
   63    64  
   64  
    0  
   77    78    79    80    66  
   81    91    94   101   104   111  
   68    69    82    92    93    96   102   106    83    73    74    86  
   69    82    92   106    73  
   82    92   106    73  
   71    72    83    84    85    73    74    86    75    76    90    82   102   106  
   72    83    84    85    73    75   106  
   83    84    85    73    75   106  
   74    86    87    88    89    82    83    84    85  
   86    87    88    89    83    84    85  
   76    90    82    83   100   102   106  
   90   102   106  
   78    79    80  
   79    80  
   80  
    0  
   91    94    95    98   101   104   111   112   105  
   92    93    96    97   100   102   106    90  
   84    85    86    87    88    89   106  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    0  
  103    96   100   102   106  
   94    95    98    99   101   104   111  
   93    96    97   100   102   106   103  
   96    97   100   106  
   95    98    99   101   104   105  
   98    99   101  
   97   100   102   106   103   107  
  100   102   103  
   99   101   104   111   105   113  
  101   104   105  
  102   106   103   107   108   109   110  
  104   111   112   105   113   114   115   116  
  106   103   107  
  107   108   109   110   106  
  111   112   105   113  
  113   114   115   116   111  
    0  
  108   109   110  
  109   110  
  110  
    0  
  112  
    0  
  114   115   116  
  115   116  
  116  
    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   0.492500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   74   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   92   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   94   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   96   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   98   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  100   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
  101   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
  102   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
  103   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  104   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  105   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  106   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
  107   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  111   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  112   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
  113   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  114   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  116   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    51   382.000  1.448
   37    40   490.000  1.398
   37    58   490.000  1.398
   40    43   469.000  1.400
   40    62   317.000  1.510
   43    44   367.000  1.080
   43    46   469.000  1.400
   46    47   367.000  1.080
   46    52   469.000  1.400
   52    58   469.000  1.400
   52    65   450.000  1.364
   58    66   450.000  1.364
   66    81   450.000  1.364
   81    91   469.000  1.400
   81   104   469.000  1.400
   91    94   469.000  1.400
   91    38   317.000  1.510
   94    95   367.000  1.080
   94    98   469.000  1.400
   98    99   367.000  1.080
   98   101   469.000  1.400
  101   104   469.000  1.400
  101   105   450.000  1.364
  104   111   450.000  1.364
  111   112   553.000  0.945
  105   113   320.000  1.410
  113   114   340.000  1.090
  113   115   340.000  1.090
  113   116   340.000  1.090
   38    39   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    45   317.000  1.522
   45    48   268.000  1.529
   45    75   268.000  1.529
   45    51   382.000  1.448
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    61   268.000  1.529
   59    60   340.000  1.090
   59    67   268.000  1.529
   59    73   367.000  1.471
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    82   317.000  1.510
   82    92   469.000  1.400
   82   106   490.000  1.398
   92    93   367.000  1.080
   92    96   469.000  1.400
   96    97   367.000  1.080
   96   100   469.000  1.400
  100   102   469.000  1.400
  100   103   450.000  1.364
  102   106   490.000  1.398
  102    90   450.000  1.364
  106    61   317.000  1.510
   61    70   268.000  1.529
   61    75   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    73   367.000  1.471
   73    74   434.000  1.010
   73    86   367.000  1.471
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   75    76   340.000  1.090
   75    90   320.000  1.410
  103   107   320.000  1.410
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   51    55   382.000  1.448
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   65    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    51    85.00000  109.00000
   33    37    40    70.00000  120.00000
   33    37    58    70.00000  120.00000
   33    38    91    70.00000  112.17500
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    51    45    51.80000  107.20000
   33    51    55    51.80000  107.20000
   37    40    43    70.00000  112.88000
   37    40    62    80.00000  105.07000
   37    58    52    70.00000  112.88000
   37    58    66    70.00000  120.00000
   40    43    44    35.00000  120.00000
   40    43    46    63.00000  120.00000
   40    62    55    70.00000  112.17500
   40    62    63    35.00000  109.50000
   40    62    64    35.00000  109.50000
   43    46    47    35.00000  120.00000
   43    46    52    63.00000  120.00000
   46    43    44    35.00000  120.00000
   46    52    58    63.00000  120.00000
   46    52    65    70.00000  120.00000
   52    46    47    35.00000  120.00000
   52    58    66    70.00000  120.00000
   52    65    77    75.00000  111.00000
   58    37    40    60.00000  130.80000
   58    66    81    85.00000  114.70000
   66    81    91    70.00000  120.00000
   66    81   104    70.00000  120.00000
   81    91    94    63.00000  120.00000
   81    91    38    70.00000  120.00000
   81   104   101    63.00000  120.00000
   81   104   111    70.00000  120.00000
   91    94    95    35.00000  120.00000
   91    94    98    63.00000  120.00000
   91    38    39    35.00000  109.50000
   91    38    41    70.00000  110.93000
   94    98    99    35.00000  120.00000
   94    98   101    63.00000  120.00000
   98    94    95    35.00000  120.00000
   98   101   104    63.00000  120.00000
   98   101   105    70.00000  120.00000
  101    98    99    35.00000  120.00000
  101   104   111    70.00000  120.00000
  101   105   113    75.00000  111.00000
  104    81    91    63.00000  120.00000
  104   111   112    35.00000  113.00000
  105   101   104    70.00000  120.00000
  105   113   114    35.00000  109.50000
  105   113   115    35.00000  109.50000
  105   113   116    35.00000  109.50000
  115   113   114    33.00000  107.80000
  116   113   114    33.00000  107.80000
  116   113   115    33.00000  107.80000
   38    33    37    70.00000  112.17500
   38    91    94    70.00000  120.00000
   38    41    42    80.00000  120.40000
   38    41    45    70.00000  116.00000
   41    38    39    35.00000  109.50000
   41    45    48    63.00000  111.10000
   41    45    75    63.00000  111.10000
   41    45    51    75.00000  112.82000
   45    41    42    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    53    58.35000  112.70000
   45    75    61    58.35000  112.70000
   45    75    76    37.50000  110.70000
   45    75    90    50.00000  109.50000
   45    51    55    51.80000  107.20000
   48    53    54    37.50000  110.70000
   48    53    59    58.35000  112.70000
   48    53    61    58.35000  112.70000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    67    58.35000  112.70000
   53    59    73    80.00000  111.20000
   53    61   106    70.00000  112.17500
   53    61    70    58.35000  112.70000
   53    61    75    58.35000  112.70000
   59    53    54    37.50000  110.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    82    70.00000  112.17500
   59    73    83    75.00000  113.01200
   59    73    74    35.00000  109.50000
   59    73    86    75.00000  113.01200
   67    59    60    37.50000  110.70000
   67    82    92    70.00000  120.00000
   67    82   106    80.00000  105.07000
   69    67    68    33.00000  107.80000
   82    67    68    35.00000  109.50000
   82    67    69    35.00000  109.50000
   82    92    93    35.00000  120.00000
   82    92    96    63.00000  120.00000
   82   106   102    60.00000  130.80000
   82   106    61    70.00000  120.00000
   92    96    97    35.00000  120.00000
   92    96   100    63.00000  120.00000
   96    92    93    35.00000  120.00000
   96   100   102    63.00000  120.00000
   96   100   103    70.00000  120.00000
  100    96    97    35.00000  120.00000
  100   102   106    70.00000  112.88000
  100   102    90    70.00000  120.00000
  100   103   107    75.00000  111.00000
  102   106    61    70.00000  120.00000
  102    90    75    75.00000  111.00000
  106    82    92    70.00000  112.88000
  106    61    70    70.00000  112.17500
  106    61    75    70.00000  112.17500
   61    53    54    37.50000  110.70000
   61    53    59    58.35000  112.70000
   61    70    71    37.50000  110.70000
   61    70    72    37.50000  110.70000
   61    70    83    58.35000  112.70000
   61    75    76    37.50000  110.70000
   61    75    90    50.00000  109.50000
   70    83    84    37.50000  110.70000
   70    83    85    37.50000  110.70000
   70    83    73    80.00000  111.20000
   72    70    71    33.00000  107.80000
   83    70    71    37.50000  110.70000
   83    70    72    37.50000  110.70000
   83    73    74    35.00000  109.50000
   83    73    86    75.00000  113.01200
   85    83    84    33.00000  107.80000
   73    59    60    35.00000  109.50000
   73    59    67    80.00000  111.20000
   73    83    84    35.00000  109.50000
   73    83    85    35.00000  109.50000
   73    86    87    35.00000  109.50000
   73    86    88    35.00000  109.50000
   73    86    89    35.00000  109.50000
   86    73    74    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   75    45    48    58.35000  112.70000
   75    61    70    58.35000  112.70000
   90   102   106    70.00000  120.00000
   90    75    76    35.00000  109.50000
  103   100   102    70.00000  120.00000
  103   107   108    35.00000  109.50000
  103   107   109    35.00000  109.50000
  103   107   110    35.00000  109.50000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   51    33    37    75.00000  112.33000
   51    33    38    56.20000  109.47000
   51    45    48    56.20000  109.47000
   51    45    75    56.20000  109.47000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    62    56.20000  109.47000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   57    55    56    33.00000  107.80000
   62    40    43    70.00000  120.00000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    52    58    70.00000  120.00000
   65    77    78    35.00000  109.50000
   65    77    79    35.00000  109.50000
   65    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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
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   60    59    73    86   0.15000  1.0 3.0
   67    59    73    83   0.47100  1.0 1.0
   67    59    73    74   0.17350  1.0 3.0
   67    59    73    86   0.47100  1.0 1.0
   67    82    92    93   3.62500 -1.0 2.0
   67    82    92    96   3.62500 -1.0 2.0
   67    82   106   102   3.62500 -1.0 2.0
   67    82   106    61   3.62500 -1.0 2.0
   68    67    82    92   0.00000  1.0 1.0
   68    67    82   106   0.00000  1.0 1.0
   69    67    82    92   0.00000  1.0 1.0
   69    67    82   106   0.00000  1.0 1.0
   82    92    96    97   3.62500 -1.0 2.0
   82    92    96   100   3.62500 -1.0 2.0
   82   106   -61    53   0.04150 -1.0 2.0
   82   106    61    70   0.04150 -1.0 2.0
   82   106    61    75   0.04150 -1.0 2.0
   92    82   106   102   3.62500 -1.0 2.0
   92    82   106    61   3.62500 -1.0 2.0
   92    96  -100   102   3.62500 -1.0 2.0
   92    96   100   103   3.62500 -1.0 2.0
   93    92    96    97   3.62500 -1.0 2.0
   93    92    96   100   3.62500 -1.0 2.0
   96   100   102   106   3.62500 -1.0 2.0
   96   100   102    90   3.62500 -1.0 2.0
   96   100   103   107   1.63200 -1.0 2.0
   97    96   100   102   3.62500 -1.0 2.0
   97    96   100   103   3.62500 -1.0 2.0
  100   102  -106    82   3.62500 -1.0 2.0
  100   102   106    61   3.62500 -1.0 2.0
  100   102    90    75   1.63200 -1.0 2.0
  100   103   107   108   0.08050  1.0 3.0
  100   103   107   109   0.08050  1.0 3.0
  100   103   107   110   0.08050  1.0 3.0
  102   100   103   107   1.63200 -1.0 2.0
  102   106    61    53   0.04150 -1.0 2.0
  102   106    61    70   0.04150 -1.0 2.0
  102   106   -61    75   0.04150 -1.0 2.0
  106    82    92    93   3.62500 -1.0 2.0
  106    82   -92    96   3.62500 -1.0 2.0
  106   102   -90    75   1.63200 -1.0 2.0
  106    61    70    71   0.43200  1.0 3.0
  106    61    70    72   0.43200  1.0 3.0
  106    61    70    83  -0.03700  1.0 1.0
  106    61    70    83   0.37200 -1.0 2.0
  106    61    70    83  -0.47300  1.0 3.0
  106    61    75    45  -0.03700  1.0 1.0
  106    61    75    45   0.37200 -1.0 2.0
  106    61    75    45  -0.47300  1.0 3.0
  106    61    75    76   0.43200  1.0 3.0
  106    61   -75    90  -0.64350  1.0 1.0
  106    61   -75    90  -0.04200 -1.0 2.0
  106    61   -75    90   0.19800  1.0 3.0
   61    53    59    60   0.15000  1.0 3.0
   61    53   -59    67   0.56750  1.0 1.0
   61    53   -59    67  -0.07550 -1.0 2.0
   61    53   -59    67   0.20000  1.0 3.0
   61    53    59    73   1.36600  1.0 1.0
   61    53    59    73  -0.11450 -1.0 2.0
   61    53    59    73   0.24250  1.0 3.0
   61    70    83    84   0.15000  1.0 3.0
   61    70    83    85   0.15000  1.0 3.0
   61    70   -83    73   1.36600  1.0 1.0
   61    70   -83    73  -0.11450 -1.0 2.0
   61    70   -83    73   0.24250  1.0 3.0
   61    75   -90   102  -0.32850  1.0 1.0
   61    75   -90   102  -0.35800 -1.0 2.0
   61    75   -90   102   0.33950  1.0 3.0
   70    61    75    45   0.56750  1.0 1.0
   70    61    75    45  -0.07550 -1.0 2.0
   70    61    75    45   0.20000  1.0 3.0
   70    61    75    76   0.15000  1.0 3.0
   70    61    75    90   0.62750  1.0 1.0
   70    61    75    90  -0.30950 -1.0 2.0
   70    61    75    90   0.27300  1.0 3.0
   70    83   -73    59   0.47100  1.0 1.0
   70    83    73    74   0.17350  1.0 3.0
   70    83    73    86   0.47100  1.0 1.0
   71    70    83    84   0.15000  1.0 3.0
   71    70    83    85   0.15000  1.0 3.0
   71    70    83    73   0.19200  1.0 3.0
   72    70    83    84   0.15000  1.0 3.0
   72    70    83    85   0.15000  1.0 3.0
   72    70    83    73   0.19200  1.0 3.0
   83    73    86    87   0.15000  1.0 3.0
   83    73    86    88   0.15000  1.0 3.0
   83    73    86    89   0.15000  1.0 3.0
   84    83    73    59   0.15000  1.0 3.0
   84    83    73    74   0.13050  1.0 3.0
   84    83    73    86   0.15000  1.0 3.0
   85    83    73    59   0.15000  1.0 3.0
   85    83    73    74   0.13050  1.0 3.0
   85    83    73    86   0.15000  1.0 3.0
   73    59    67    68   0.19200  1.0 3.0
   73    59    67    69   0.19200  1.0 3.0
   73    59    67    82   1.24050  1.0 1.0
   73    59    67    82   0.48100 -1.0 2.0
   73    59    67    82   1.08150  1.0 3.0
   74    73    86    87   0.13050  1.0 3.0
   74    73    86    88   0.13050  1.0 3.0
   74    73    86    89   0.13050  1.0 3.0
   75    45    48    49   0.15000  1.0 3.0
   75    45    48    50   0.15000  1.0 3.0
   75    45   -48    53   0.56750  1.0 1.0
   75    45   -48    53  -0.07550 -1.0 2.0
   75    45   -48    53   0.20000  1.0 3.0
   75    45    51    33   0.23450  1.0 1.0
   75    45    51    33   0.02050 -1.0 2.0
   75    45    51    33   0.25250  1.0 3.0
   75    45    51    55   0.23450  1.0 1.0
   75    45    51    55   0.02050 -1.0 2.0
   75    45    51    55   0.25250  1.0 3.0
   75    61    70    71   0.15000  1.0 3.0
   75    61    70    72   0.15000  1.0 3.0
   75    61    70    83   0.56750  1.0 1.0
   75    61    70    83  -0.07550 -1.0 2.0
   75    61    70    83   0.20000  1.0 3.0
   76    75    90   102   0.08050  1.0 3.0
   90   102   106    82   3.62500 -1.0 2.0
   90   102  -106    61   3.62500 -1.0 2.0
  103   100   102   106   3.62500 -1.0 2.0
  103   100   102    90   3.62500 -1.0 2.0
   51    33    37    40   0.18550 -1.0 2.0
   51    33    37    40   0.14000  1.0 3.0
   51    33    37    58   0.18550 -1.0 2.0
   51    33    37    58   0.14000  1.0 3.0
   51    33    38    91   0.83750  1.0 1.0
   51    33    38    91   0.32200 -1.0 2.0
   51    33    38    91   0.70600  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    41  -3.56550  1.0 1.0
   51    33   -38    41  -0.67500 -1.0 2.0
   51    33   -38    41   1.11300  1.0 3.0
   51    45    48    49   0.15000  1.0 3.0
   51    45    48    50   0.15000  1.0 3.0
   51    45    48    53   1.53400  1.0 1.0
   51    45    48    53  -0.09950 -1.0 2.0
   51    45    48    53   0.05700  1.0 3.0
   51    45    75    61   1.53400  1.0 1.0
   51    45    75    61  -0.09950 -1.0 2.0
   51    45    75    61   0.05700  1.0 3.0
   51    45    75    76   0.15000  1.0 3.0
   51    45    75    90   1.74050  1.0 1.0
   51    55   -62    40   0.83750  1.0 1.0
   51    55   -62    40   0.32200 -1.0 2.0
   51    55   -62    40   0.70600  1.0 3.0
   51    55    62    63   0.15000  1.0 3.0
   51    55    62    64   0.15000  1.0 3.0
   56    55    62    40   0.43200  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   57    55    62    40   0.43200  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   62    40    43    44   3.62500 -1.0 2.0
   62    40    43    46   3.62500 -1.0 2.0
   65    52    58    37   3.62500 -1.0 2.0
   65    52    58    66   3.62500 -1.0 2.0
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
   40    58    37    33   4.00000 -1.0 2.0
   43    62    40    37   4.00000 -1.0 2.0
   46    44    43    40   1.10000 -1.0 2.0
   52    47    46    43   1.10000 -1.0 2.0
   58    65    52    46   4.00000 -1.0 2.0
   52    66    58    37   4.00000 -1.0 2.0
   91   104    81    66   4.00000 -1.0 2.0
   94    38    91    81   4.00000 -1.0 2.0
   98    95    94    91   1.10000 -1.0 2.0
  101    99    98    94   1.10000 -1.0 2.0
  104   105   101    98   4.00000 -1.0 2.0
  101   111   104    81   4.00000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
   92   106    82    67   4.00000 -1.0 2.0
   96    93    92    82   1.10000 -1.0 2.0
  100    97    96    92   1.10000 -1.0 2.0
  102   103   100    96   4.00000 -1.0 2.0
  106    90   102   100   4.00000 -1.0 2.0
  102    61   106    82   4.00000 -1.0 2.0
END
