* LIGAND DATABASE FILE (OPLS2005)
*
001     114   116    210    325     617
    1     0 S   NP   _N1_     1    27.85248    96.41899   -21.99152
    2     1 S   H    _HN1     2     1.02835    32.61041   124.19234
    3     1 S   H    _H1_     3     1.02776   100.38172  -128.73048
    4     1 S   H    _H2_     4     1.02957    79.97469   -21.71448
    5     1 S   CT   _CA1     5     1.50114   139.22447    87.93516
    6     5 S   HC   _HA1     6     1.09579   105.20856    78.98662
    7     5 S   CO3  _C1_     7     1.53796   112.48199   -41.14270
    8     7 S   O2Z  _O11     8     1.26363   114.98294   -42.25599
    9     7 S   O2Z  _O12     9     1.26247   114.93501   136.90343
   10     5 S   CT   _CB1    10     1.53107   107.43022  -163.13507
   11    10 S   HC   HB11    11     1.09822   109.33854   -51.38250
   12    10 S   HC   HB12    12     1.09815   110.41829    65.21072
   13    10 S   CT   _CG1    13     1.52963   112.58183  -172.48926
   14    13 S   HC   HG11    14     1.09527   110.24176   -66.04978
   15    13 S   HC   HG12    15     1.09655   109.95079    53.15364
   16    13 S   C    _CD1    16     1.51760   112.49950   173.95097
   17    16 S   O    _OE1    17     1.22753   123.26482     5.21173
   18    16 S   N    _N2_    18     1.38559   111.69501  -175.06990
   19    18 S   H    _HN2    19     1.01539   119.22993     3.79199
   20    18 S   CT1  _CA2    20     1.45839   122.81886   178.70820
   21    20 S   HC   _HA2    21     1.09732   108.73940    28.70722
   22    20 S   C    _C2_    22     1.52940   106.89747   -88.47722
   23    22 S   O    _O2_    23     1.23002   122.99347   -29.64004
   24    20 S   CT   _CB2    32     1.53354   112.37677   151.97701
   25    24 S   HC   HB21    33     1.09406   109.35120    54.30116
   26    24 S   HC   HB22    34     1.09402   109.32764   173.32762
   27    22 S   N    _N3_    24     1.38508   112.64303   152.89074
   28    27 S   H    _HN3    25     1.01665   120.31029    -0.88360
   29    24 S   S    _SG2    35     1.82666   110.65051   -65.62513
   30    27 S   CT   _CA3    26     1.45347   122.41411   178.79261
   31    30 S   HC   HA31    27     1.09567   107.52281   -62.20152
   32    30 S   HC   HA32    28     1.09571   107.86080    54.08386
   33    29 S   CT   _C11    36     1.88707   103.64879  -170.55456
   34    33 S   OM   _O35    37     1.31269   109.62221    56.41761
   35    30 S   CO3  _C3_    29     1.52881   114.46214   176.09686
   36    35 S   O2Z  _O31    30     1.26319   116.13489    -0.09065
   37    35 S   O2Z  _O32    31     1.26463   114.38330   179.95154
   38    33 S   CM   _C10    38     1.54890   110.21330   -63.79447
   39    38 S   CM   _C9_    39     1.35587   121.71407   -93.55348
   40    38 S   CT   _C21    87     1.53874   120.19556    84.13520
   41    40 S   HC   _H16    88     1.09852   106.01934  -121.31405
   42    40 S   HC   _H17    89     1.09451   111.07366    -9.17233
   43    39 S   CT   _C8_    40     1.52979   125.84535     0.38155
   44    39 S   OH   _O37    85     1.39283   118.89835   178.67929
   45    44 S   HO   _H31    86     0.96979   109.22202   175.91918
   46    40 S   CT   _C22    90     1.55234   117.74496   116.51338
   47    46 S   HC   _H3_    91     1.09488   110.61995    44.14998
   48    43 S   CO4  _C20    41     1.53813   110.04267     4.63963
   49    48 S   O    _O34    42     1.23277   122.22505   145.48927
   50    43 S   CT   _C7_    57     1.56154   108.68229  -112.91352
   51    50 S   HC   _H9_    58     1.09476   110.27394   -49.70746
   52    50 S   HC   _H10    59     1.09873   109.56140    64.64038
   53    43 S   CT   _C31    71     1.56756   110.56084   125.05626
   54    53 S   HC   _H32    72     1.09407   109.94673    71.80677
   55    53 S   HC   _H33    73     1.09836   110.02919  -173.68043
   56    46 S   CT   _C23    92     1.55717   114.24096   -80.02298
   57    56 S   HC   _H4_    93     1.09980   107.02755   -37.39319
   58    33 S   CM   _C12    43     1.55411   104.67045   176.58006
   59    50 S   CM   _C6_    60     1.50863   115.34581  -175.08953
   60    59 S   HC   _H8_    61     1.08960   114.12645   -72.78190
   61    53 S   CM   _C32    74     1.51111   114.68040   -54.12669
   62    61 S   HC   _H34    75     1.08980   113.93439   -67.83899
   63    56 S   CT   _C24    94     1.54674   105.01854  -151.01944
   64    63 S   HC   _H18    95     1.09611   113.49046  -115.80418
   65    63 S   HC   _H19    96     1.09708   109.42585   124.79947
   66    56 S   CM   _C28   107     1.51958   119.79955    84.23657
   67    58 S   CMA  _C13    44     1.37544   136.36200  -107.29580
   68    67 S   OM   _O33    45     1.27204   128.42671  -176.21980
   69    59 S   CM   _C5_    62     1.34692   128.01649   108.55018
   70    61 S   CM   _C33    76     1.34680   128.50568   112.90947
   71    63 S   CT   _C25    97     1.52635   106.89125     5.62497
   72    71 S   HC   _H20    98     1.09500   110.76924   142.88400
   73    71 S   HC   _H21    99     1.09693   109.17165   -97.97852
   74    66 S   CM   _C29   108     1.34216   125.17453    17.42552
   75    74 S   HC   _H26   109     1.08545   121.14867  -179.61641
   76    74 S   HC   _H27   110     1.08208   122.63470     0.55813
   77    66 S   CT   _C30   111     1.50759   114.93508  -163.03941
   78    77 S   HC   _H28   112     1.09466   110.51808   -60.19763
   79    77 S   HC   _H29   113     1.09452   110.40126    59.69479
   80    77 S   HC   _H30   114     1.09503   112.28756   179.93147
   81    67 S   CA   _C14    46     1.49763   116.17079     5.06867
   82    69 S   CT   _C4_    63     1.50580   120.30502   178.64405
   83    82 S   HC   _H5_    64     1.09496   110.26261   119.30921
   84    82 S   HC   _H6_    65     1.09497   110.20830  -120.88062
   85    82 S   HC   _H7_    66     1.09512   112.44677    -0.80697
   86    69 S   CT   _C36    67     1.50241   125.35793    -2.00838
   87    86 S   HC   _H41    68     1.09487   110.07794   115.55926
   88    86 S   HC   _H42    69     1.09540   110.01187  -125.16792
   89    86 S   HC   _H43    70     1.09189   113.65289    -5.45718
   90    70 S   CT   _C34    77     1.50588   120.12257   179.85463
   91    90 S   HC   _H35    78     1.09493   110.28250   118.80999
   92    90 S   HC   _H36    79     1.09488   110.34299  -121.20049
   93    90 S   HC   _H37    80     1.09417   112.23380    -1.23938
   94    70 S   CT   _C35    81     1.50179   125.67979    -0.58450
   95    94 S   HC   _H38    82     1.09518   110.03978   121.90003
   96    94 S   HC   _H39    83     1.09522   109.98862  -118.87691
   97    94 S   HC   _H40    84     1.09123   113.79578     1.59557
   98    46 S   CT   _C26   100     1.54910   112.24498   163.73817
   99    81 S   CA   _C15    47     1.40574   120.31828    80.06592
  100    99 S   HA   _H11    48     1.08723   120.26631    -2.20549
  101    98 S   CT   _C27   101     1.52525   113.91332   -73.62807
  102   101 S   HC   _H22   102     1.09473   111.39715    68.40478
  103   101 S   HC   _H23   103     1.09469   111.75342   -53.18415
  104   101 S   HC   _H24   104     1.09607   110.54863  -173.74875
  105    98 S   OH   _O36   105     1.42719   110.43380    49.11609
  106   105 S   HO   _H25   106     0.97228   107.98000   175.80960
  107    99 S   CA   _C16    49     1.39587   120.35805   178.09906
  108   107 S   HA   _H12    50     1.08591   119.87273   179.34270
  109   107 S   CA   _C17    51     1.39436   120.07079    -0.68471
  110   109 S   HA   _H13    52     1.08596   119.96141   179.93744
  111   109 S   CA   _C18    53     1.39436   120.06608    -0.22555
  112   111 S   HA   _H14    54     1.08591   120.04145  -179.73607
  113    81 S   CA   _C19    55     1.40447   120.55854  -103.35350
  114   113 S   HA   _H15    56     1.08694   120.24535     2.23073
  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   8   5   4   3
  15   6   2   1   1  16  18  15   5   4  18   4   1  19   8  13
   4  12   5   4   9   4   3  18   8   5  10   3  10   3  11   6
   5   9   8   3   8   8   9   4   3   6   2   1   3   2   1   1
   9   7   3   2   1   3   2   1   1   7   3   2   1   3   2   1
   1   6   8   4   5   3   2   1   1   1   6   3   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    58    67    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    48    49    58    67    68    81    44    40    41    42    46  
   38    39    48    58    67    40  
   36    37  
   37  
    0  
   39    43    48    58    67    50    53    44    45    40    41    42    46    47    56    98  
   43    48    49    58    50    51    52    59    53    54    55    61    44    45    40    41    42    46  
   41    42    46    47    56    57    63    71    98   101   105    66    43    44    58  
   42    46    47    56    98  
   46    47    56    98  
   48    49    58    67    50    51    52    59    60    69    53    54    55    61    62    70    44    45  
   45    48    50    53  
    0  
   47    56    57    63    64    65    71    72    73    98   101   102   103   104   105   106    66    74    77  
   56    57    63    71    98   101   105    66  
   49    58    67    68    81    50    51    52    59    53    54    55    61  
   58    67    50    53  
   51    52    59    60    69    82    86    53    54    55    61    58  
   52    59    60    69    53  
   59    60    69    53  
   54    55    61    62    70    90    94    58    59  
   55    61    62    70  
   61    62    70  
   57    63    64    65    71    72    73    98   101   105    66    74    75    76    77    78    79    80  
   63    64    65    71    98    66    74    77  
   67    68    81    99   113  
   60    69    82    83    84    85    86    87    88    89  
   69    82    86  
   62    70    90    91    92    93    94    95    96    97  
   70    90    94  
   64    65    71    72    73    98   101   105    66    74    77  
   65    71    72    73    98    66  
   71    72    73    98    66  
   74    75    76    77    78    79    80    71    98  
   68    81    99   100   107   111   113   114  
   81    99   113  
   82    83    84    85    86    87    88    89  
   90    91    92    93    94    95    96    97  
   72    73    98   101   102   103   104   105   106  
   73    98   101   105  
   98   101   105  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   99   100   107   108   109   111   112   113   114  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    0  
   91    92    93    94    95    96    97  
   92    93    94  
   93    94  
   94  
   95    96    97  
   96    97  
   97  
    0  
  101   102   103   104   105   106  
  100   107   108   109   110   111   113   114  
  107   108   109   113  
  102   103   104   105   106  
  103   104   105  
  104   105  
  105  
  106  
    0  
  108   109   110   111   112   113  
  109   110   111  
  110   111   112   113   114  
  111   112   113  
  112   113   114  
  113   114  
  114  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   99   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  106   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  107   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  108   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  109   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  110   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  111   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  112   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  113   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  114   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   570.000  1.307
   33    38   317.000  1.510
   33    58   317.000  1.510
   38    39   549.000  1.340
   38    40   317.000  1.510
   39    43   317.000  1.510
   39    44   510.000  1.338
   43    48   317.000  1.522
   43    50   268.000  1.529
   43    53   268.000  1.529
   48    49   570.000  1.229
   48    58   320.000  1.462
   58    67   465.000  1.376
   67    68   745.000  1.250
   67    81   320.000  1.460
   81    99   469.000  1.400
   81   113   469.000  1.400
   99   100   367.000  1.080
   99   107   469.000  1.400
  107   108   367.000  1.080
  107   109   469.000  1.400
  109   110   367.000  1.080
  109   111   469.000  1.400
  111   112   367.000  1.080
  111   113   469.000  1.400
  113   114   367.000  1.080
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   317.000  1.510
   59    60   340.000  1.080
   59    69   549.000  1.340
   69    82   317.000  1.510
   69    86   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   317.000  1.510
   61    62   340.000  1.080
   61    70   549.000  1.340
   70    90   317.000  1.510
   70    94   317.000  1.510
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   44    45   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   268.000  1.529
   46    47   340.000  1.090
   46    56   268.000  1.529
   46    98   268.000  1.529
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    66   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    98   268.000  1.529
   98   101   268.000  1.529
   98   105   320.000  1.410
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
  105   106   553.000  0.945
   66    74   549.000  1.340
   66    77   317.000  1.510
   74    75   340.000  1.080
   74    76   340.000  1.080
   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    58    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    58    48    65.00000  116.34900
   33    58    67    70.00000  124.00000
   38    33    34    85.00000  110.90400
   38    39    43    70.00000  124.00000
   38    39    44    80.00000  121.38400
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    46    70.00000  112.02700
   39    43    48    70.00000  109.06800
   39    43    50    70.00000  112.02700
   39    43    53    70.00000  112.02700
   39    44    45    70.00000  107.45700
   43    48    49    80.00000  120.40000
   43    48    58    65.00000  118.62400
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    59    70.00000  112.02700
   43    53    54    37.50000  110.70000
   43    53    55    37.50000  110.70000
   43    53    61    70.00000  112.02700
   48    58    67    60.00000  125.92000
   58    33    34    85.00000  110.90400
   58    33    38    70.00000  110.12100
   58    48    49    80.00000  123.72100
   58    67    68    65.00000  137.10300
   58    67    81    60.00000  123.20500
   67    81    99    60.00000  120.93500
   67    81   113    60.00000  120.93500
   81    67    68    85.00000  114.86500
   81    99   100    35.00000  120.00000
   81    99   107    63.00000  120.00000
   81   113   111    63.00000  120.00000
   81   113   114    35.00000  120.00000
   99   107   108    35.00000  120.00000
   99   107   109    63.00000  120.00000
  107    99   100    35.00000  120.00000
  107   109   110    35.00000  120.00000
  107   109   111    63.00000  120.00000
  109   107   108    35.00000  120.00000
  109   111   112    35.00000  120.00000
  109   111   113    63.00000  120.00000
  111   109   110    35.00000  120.00000
  111   113   114    35.00000  120.00000
  113    81    99    63.00000  120.00000
  113   111   112    35.00000  120.00000
   50    43    48    63.00000  111.10000
   50    59    60    35.00000  117.00000
   50    59    69    70.00000  124.00000
   52    50    51    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    52    35.00000  109.50000
   59    69    82    70.00000  124.00000
   59    69    86    70.00000  124.00000
   69    59    60    35.00000  120.00000
   69    82    83    35.00000  109.50000
   69    82    84    35.00000  109.50000
   69    82    85    35.00000  109.50000
   69    86    87    35.00000  109.50000
   69    86    88    35.00000  109.50000
   69    86    89    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    69    82    65.00000  117.92700
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   53    43    48    63.00000  111.10000
   53    43    50    58.35000  112.70000
   53    61    62    35.00000  117.00000
   53    61    70    70.00000  124.00000
   55    53    54    33.00000  107.80000
   61    53    54    35.00000  109.50000
   61    53    55    35.00000  109.50000
   61    70    90    70.00000  124.00000
   61    70    94    70.00000  124.00000
   70    61    62    35.00000  120.00000
   70    90    91    35.00000  109.50000
   70    90    92    35.00000  109.50000
   70    90    93    35.00000  109.50000
   70    94    95    35.00000  109.50000
   70    94    96    35.00000  109.50000
   70    94    97    35.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   94    70    90    65.00000  117.92700
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   44    39    43    90.00000  109.34000
   40    38    39    70.00000  124.00000
   40    46    47    37.50000  110.70000
   40    46    56    58.35000  112.70000
   40    46    98    58.35000  112.70000
   42    40    41    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    42    37.50000  110.70000
   46    56    57    37.50000  110.70000
   46    56    63    58.35000  112.70000
   46    56    66    70.00000  112.02700
   46    98    71    58.35000  112.70000
   46    98   101    58.35000  112.70000
   46    98   105    50.00000  109.50000
   56    46    47    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    71    58.35000  112.70000
   56    66    74    70.00000  124.00000
   56    66    77    65.00000  117.92700
   63    56    57    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    98    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    98   101    58.35000  112.70000
   71    98   105    50.00000  109.50000
   73    71    72    33.00000  107.80000
   98    46    47    37.50000  110.70000
   98    46    56    58.35000  112.70000
   98    71    72    37.50000  110.70000
   98    71    73    37.50000  110.70000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   104    37.50000  110.70000
   98   105   106    55.00000  108.50000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
  105    98   101    50.00000  109.50000
   66    56    57    35.00000  109.50000
   66    56    63    70.00000  112.02700
   66    74    75    35.00000  120.00000
   66    74    76    35.00000  120.00000
   66    77    78    35.00000  109.50000
   66    77    79    35.00000  109.50000
   66    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    66    74    70.00000  124.00000
   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
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
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   63    56    66    77   0.08550 -1.0 2.0
   63    56    66    77   0.09800  1.0 3.0
   63    71   -98    46   0.56750  1.0 1.0
   63    71   -98    46  -0.07550 -1.0 2.0
   63    71   -98    46   0.20000  1.0 3.0
   63    71    98   101   0.56750  1.0 1.0
   63    71    98   101  -0.07550 -1.0 2.0
   63    71    98   101   0.20000  1.0 3.0
   63    71    98   105   0.86500  1.0 1.0
   63    71    98   105  -0.17500 -1.0 2.0
   63    71    98   105   0.20800  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    98   0.15000  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    73   0.15000  1.0 3.0
   65    63    71    98   0.15000  1.0 3.0
   71    98   101   102   0.15000  1.0 3.0
   71    98   101   103   0.15000  1.0 3.0
   71    98   101   104   0.15000  1.0 3.0
   71    98   105   106  -0.11600  1.0 1.0
   71    98   105   106  -0.09450 -1.0 2.0
   71    98   105   106   0.21250  1.0 3.0
   72    71    98    46   0.15000  1.0 3.0
   72    71    98   101   0.15000  1.0 3.0
   72    71    98   105   0.23400  1.0 3.0
   73    71    98    46   0.15000  1.0 3.0
   73    71    98   101   0.15000  1.0 3.0
   73    71    98   105   0.23400  1.0 3.0
   98    46    56    57   0.15000  1.0 3.0
   98    46   -56    63   0.56750  1.0 1.0
   98    46   -56    63  -0.07550 -1.0 2.0
   98    46   -56    63   0.20000  1.0 3.0
   98    46    56    66   0.34400  1.0 1.0
   98    46    56    66   0.09450 -1.0 2.0
   98    46    56    66   0.11100  1.0 3.0
  101    98   105   106  -0.11600  1.0 1.0
  101    98   105   106  -0.09450 -1.0 2.0
  101    98   105   106   0.21250  1.0 3.0
  105    98   101   102   0.23400  1.0 3.0
  105    98   101   103   0.23400  1.0 3.0
  105    98   101   104   0.23400  1.0 3.0
   66    56    63    64   0.15000  1.0 3.0
   66    56    63    65   0.15000  1.0 3.0
   66    56    63    71   0.34400  1.0 1.0
   66    56    63    71   0.09450 -1.0 2.0
   66    56    63    71   0.11100  1.0 3.0
   74    66    77    78   0.00000  1.0 1.0
   74    66    77    79   0.00000  1.0 1.0
   74    66    77    80   0.00000  1.0 1.0
   77    66    74    75   7.00000 -1.0 2.0
   77    66    74    76   7.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   43    44    39    38   1.10000 -1.0 2.0
   43    58    48    49  10.50000 -1.0 2.0
   33    48    58    67   1.10000 -1.0 2.0
   81    68    67    58   1.10000 -1.0 2.0
   99   113    81    67   4.00000 -1.0 2.0
  107   100    99    81   1.10000 -1.0 2.0
  109   108   107    99   1.10000 -1.0 2.0
  111   110   109   107   1.10000 -1.0 2.0
  113   112   111   109   1.10000 -1.0 2.0
  111   114   113    81   1.10000 -1.0 2.0
   50    60    59    69  15.00000 -1.0 2.0
   82    86    69    59  15.00000 -1.0 2.0
   53    62    61    70  15.00000 -1.0 2.0
   90    94    70    61  15.00000 -1.0 2.0
   56    77    66    74  15.00000 -1.0 2.0
   75    76    74    66  15.00000 -1.0 2.0
END
