* LIGAND DATABASE FILE (OPLS2005)
*
001     114   116    210    325     617
    1     0 S   NP   _N1_     1    28.86379    94.91134   -17.22801
    2     1 S   H    _HN1     2     1.02767    73.12702   -55.49225
    3     1 S   H    _H1_     3     1.02967   105.92282    49.35197
    4     1 S   H    _H2_     4     1.02826    37.48090   146.74140
    5     1 S   CT   _CA1     5     1.50248   138.68412  -160.28774
    6     5 S   HC   _HA1     6     1.09579   105.12479    27.94327
    7     5 S   CO3  _C1_     7     1.53891   112.24230   -91.87563
    8     7 S   O2Z  _O11     8     1.26368   115.00272   -40.47685
    9     7 S   O2Z  _O12     9     1.26270   114.86761   137.88234
   10     5 S   CT   _CB1    10     1.53025   107.23430   145.62415
   11    10 S   HC   HB11    11     1.09804   109.25021   -49.99434
   12    10 S   HC   HB12    12     1.09699   110.19517    66.33292
   13    10 S   CT   _CG1    13     1.52980   112.90109  -171.35721
   14    13 S   HC   HG11    14     1.09459   110.32919   -62.04184
   15    13 S   HC   HG12    15     1.09641   110.15077    56.59614
   16    13 S   C    _CD1    16     1.51999   112.03992   175.94532
   17    16 S   O    _OE1    17     1.22796   122.82787   -24.40389
   18    16 S   N    _N2_    18     1.38473   112.08511   158.02286
   19    18 S   H    _HN2    19     1.01558   119.04372    -3.05710
   20    18 S   CT1  _CA2    20     1.46346   123.83319   176.94905
   21    20 S   HC   _HA2    21     1.09737   109.33112   -10.76730
   22    20 S   C    _C2_    22     1.53622   108.37267  -125.99379
   23    22 S   O    _O2_    23     1.23036   122.32034  -150.24355
   24    20 S   CT   _CB2    32     1.53415   111.28536   111.71591
   25    24 S   HC   HB21    33     1.09295   109.20590    50.51939
   26    24 S   HC   HB22    34     1.09496   110.79654   168.88144
   27    22 S   N    _N3_    24     1.38556   113.51350    37.54442
   28    27 S   H    _HN3    25     1.01511   118.79090    -1.08119
   29    24 S   S    _SG2    35     1.83305   111.12497   -72.70072
   30    27 S   CT   _CA3    26     1.45425   123.56803   175.20351
   31    30 S   HC   HA31    27     1.09517   109.33764    22.57694
   32    30 S   HC   HA32    28     1.09500   107.09729   139.56945
   33    29 S   CT   _C11    36     1.88301   102.08564   145.70929
   34    33 S   OM   _O35    37     1.31572   108.83836    56.49236
   35    30 S   CO3  _C3_    29     1.52899   113.05115  -100.98974
   36    35 S   O2Z  _O31    30     1.26409   115.38734   -45.59918
   37    35 S   O2Z  _O32    31     1.26354   115.00997   135.37028
   38    33 S   CM   _C10    38     1.55183   105.77243   173.46325
   39    38 S   CM   _C9_    39     1.35526   121.31831    93.68304
   40    38 S   CT   _C21    87     1.53838   119.43650   -80.85459
   41    40 S   HC   _H16    88     1.09624   111.12303     5.48469
   42    40 S   HC   _H17    89     1.10014   106.25422   117.13911
   43    39 S   CT   _C8_    40     1.53066   125.59428    -1.31775
   44    39 S   OH   _O37    85     1.39133   119.03379  -177.42245
   45    44 S   HO   _H31    86     0.96964   109.36828  -179.98022
   46    40 S   CT   _C22    90     1.54932   117.76593  -121.38140
   47    46 S   HC   _H3_    91     1.09578   109.60774   -57.88282
   48    43 S   CO4  _C20    41     1.54451   110.64729    -0.83063
   49    48 S   O    _O34    42     1.23074   121.77365  -148.21210
   50    43 S   CT   _C7_    57     1.57071   110.16403  -121.28771
   51    50 S   HC   _H9_    58     1.09846   110.06607   173.55050
   52    50 S   HC   _H10    59     1.09442   109.89593   -71.93455
   53    43 S   CT   _C31    71     1.56112   108.83186   117.30416
   54    53 S   HC   _H32    72     1.09764   109.51997   -68.49440
   55    53 S   HC   _H33    73     1.09389   110.27314    45.72052
   56    46 S   CT   _C23    92     1.55512   110.67127  -177.55471
   57    56 S   HC   _H4_    93     1.10087   107.40233   -47.59039
   58    33 S   CM   _C12    43     1.55553   108.73918   -66.99596
   59    50 S   CM   _C6_    60     1.50969   114.87053    54.08430
   60    59 S   HC   _H8_    61     1.08900   113.89000    68.13837
   61    53 S   CM   _C32    74     1.50912   114.80287   170.59205
   62    61 S   HC   _H34    75     1.08842   114.34706    65.79438
   63    56 S   CT   _C24    94     1.53969   105.07169  -160.50612
   64    63 S   HC   _H18    95     1.09504   113.68383  -109.61377
   65    63 S   HC   _H19    96     1.09686   109.64543   131.07511
   66    56 S   CM   _C28   107     1.51787   115.84747    73.31996
   67    58 S   CMA  _C13    44     1.37815   130.07224   113.71747
   68    67 S   OM   _O33    45     1.26989   128.89923    -0.46140
   69    59 S   CM   _C5_    62     1.34645   128.62608  -112.35248
   70    61 S   CM   _C33    76     1.34674   128.33563  -114.07627
   71    63 S   CT   _C25    97     1.53033   106.33317    11.92755
   72    71 S   HC   _H20    98     1.09530   110.69495   137.30040
   73    71 S   HC   _H21    99     1.09708   108.84640  -103.94007
   74    66 S   CM   _C29   108     1.34345   120.82042  -128.67957
   75    74 S   HC   _H26   109     1.08505   121.48643   179.84677
   76    74 S   HC   _H27   110     1.08512   121.48790    -0.00000
   77    66 S   CT   _C30   111     1.50373   118.72032    51.27939
   78    77 S   HC   _H28   112     1.09402   110.63967   -69.06287
   79    77 S   HC   _H29   113     1.09387   111.05514    51.66893
   80    77 S   HC   _H30   114     1.09560   111.89247   171.36762
   81    67 S   CA   _C14    46     1.50305   116.31881   179.05996
   82    69 S   CT   _C4_    63     1.50622   120.10863   179.64064
   83    82 S   HC   _H5_    64     1.09491   110.24054   120.47794
   84    82 S   HC   _H6_    65     1.09500   110.20277  -119.70326
   85    82 S   HC   _H7_    66     1.09508   112.49741     0.35773
   86    69 S   CT   _C36    67     1.50179   125.63089     0.42244
   87    86 S   HC   _H41    68     1.09523   110.00397   118.46457
   88    86 S   HC   _H42    69     1.09516   110.03418  -122.29412
   89    86 S   HC   _H43    70     1.09128   113.77137    -2.01451
   90    70 S   CT   _C34    77     1.50640   120.11230  -179.33265
   91    90 S   HC   _H35    78     1.09496   110.19514   121.72418
   92    90 S   HC   _H36    79     1.09493   110.25425  -118.45407
   93    90 S   HC   _H37    80     1.09519   112.48559     1.72635
   94    70 S   CT   _C35    81     1.50198   125.54652     1.41748
   95    94 S   HC   _H38    82     1.09545   110.00018   125.85887
   96    94 S   HC   _H39    83     1.09485   110.07135  -114.90629
   97    94 S   HC   _H40    84     1.09169   113.71201     6.19903
   98    46 S   CT   _C26   100     1.54312   117.96393    65.40778
   99    81 S   CA   _C15    47     1.40475   120.67259    87.39513
  100    99 S   HA   _H11    48     1.08679   120.25155    -2.35833
  101    98 S   CT   _C27   101     1.52580   114.91816   -75.37130
  102   101 S   HC   _H22   102     1.09170   112.04374    72.63695
  103   101 S   HC   _H23   103     1.09478   111.73610   -49.51572
  104   101 S   HC   _H24   104     1.09638   110.41805  -169.71700
  105    98 S   OH   _O36   105     1.42526   110.34365    49.90047
  106   105 S   HO   _H25   106     0.97176   108.39324  -164.73472
  107    99 S   CA   _C16    49     1.39561   120.43411   178.29808
  108   107 S   HA   _H12    50     1.08618   119.88887   178.68270
  109   107 S   CA   _C17    51     1.39390   120.08398    -1.28054
  110   109 S   HA   _H13    52     1.08599   119.93683   179.94405
  111   109 S   CA   _C18    53     1.39397   120.02581    -0.37378
  112   111 S   HA   _H14    54     1.08595   120.02979  -179.38452
  113    81 S   CA   _C19    55     1.40425   120.28407   -96.84161
  114   113 S   HA   _H15    56     1.08725   120.30429     2.01548
  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
