* LIGAND DATABASE FILE (OPLS2005)
*
001     115   116    217    330     641
    1     0 S   NP   _N1_     1    29.44334    93.05807   -24.47706
    2     1 S   H    _HN1     2     1.02956    79.87740    38.56615
    3     1 S   H    _H1_     3     1.02828    27.74646  -152.75876
    4     1 S   H    _H2_     4     1.02783   112.64055   -67.20377
    5     1 S   CT   _CA1     5     1.50152   127.23984   146.55399
    6     5 S   HC   _HA1     6     1.09566   105.24135    85.04851
    7     5 S   CO3  _C1_     7     1.53775   112.41872   -35.28521
    8     7 S   O2Z  _O11     8     1.26375   115.00458   -42.99644
    9     7 S   O2Z  _O12     9     1.26236   114.94731   136.08702
   10     5 S   CT   _CB1    10     1.52989   107.32621  -156.94947
   11    10 S   HC   HB11    11     1.09829   109.31316   -49.70113
   12    10 S   HC   HB12    12     1.09833   110.36715    66.82529
   13    10 S   CT   _CG1    13     1.53033   112.82654  -170.62780
   14    13 S   HC   HG11    14     1.09567   110.68904   -64.15049
   15    13 S   HC   HG12    15     1.09647   109.90733    55.28835
   16    13 S   C    _CD1    16     1.51694   111.84486   175.72332
   17    16 S   O    _OE1    17     1.22716   123.06038     6.15820
   18    16 S   N    _N2_    18     1.38546   112.05700  -174.17856
   19    18 S   H    _HN2    19     1.01565   119.29898     0.40056
   20    18 S   CT1  _CA2    20     1.46162   122.84349   178.64650
   21    20 S   HC   _HA2    21     1.09626   108.91903    -8.64091
   22    20 S   C    _C2_    22     1.53384   108.40691  -123.46091
   23    22 S   O    _O2_    23     1.23004   122.66941  -146.30270
   24    20 S   CT   _CB2    32     1.53333   112.19743   112.86395
   25    24 S   HC   HB21    33     1.09594   110.18073    55.42003
   26    24 S   HC   HB22    34     1.09194   109.55653   173.16060
   27    22 S   N    _N3_    24     1.38458   113.23796    41.63405
   28    27 S   H    _HN3    25     1.01624   119.42370    -4.67697
   29    24 S   S    _SG2    35     1.83372   111.07830   -63.63499
   30    27 S   CT   _CA3    26     1.45224   123.06374   175.38442
   31    30 S   HC   HA31    27     1.09567   107.35724   -64.36174
   32    30 S   HC   HA32    28     1.09544   108.10492    52.01817
   33    29 S   CT   _C17    36     1.88530   103.48063  -125.41066
   34    30 S   CO3  _C3_    29     1.52887   114.09673   173.85308
   35    34 S   O2Z  _O31    30     1.26369   116.04266   -10.86850
   36    34 S   O2Z  _O32    31     1.26423   114.45435   169.28076
   37    33 S   CO4  _C18    37     1.54356   109.86793    50.01754
   38    37 S   O    _O33    38     1.22931   123.79755    20.96432
   39    33 S   CT   _C26    51     1.57575   113.26424   -75.65743
   40    39 S   OM   _O35    52     1.32410   113.24673    61.20263
   41    33 S   CT   _C16    57     1.57819   104.54606   164.44151
   42    41 S   HC   _H24    58     1.09827   109.22522   174.04856
   43    41 S   HC   _H25    59     1.09354   109.84815    59.88346
   44    37 S   CA   _C19    39     1.48454   117.71790  -163.75192
   45    39 S   CT   _C27    53     1.54559   113.94370   -61.51003
   46    45 S   HC   _H30    54     1.09635   112.63888    56.46694
   47    45 S   HC   _H31    55     1.09579   111.52902   -64.95310
   48    45 S   HC   _H32    56     1.09975   112.18128   176.77445
   49    41 S   CM   _C15    60     1.51431   116.88062   -66.63794
   50    49 S   HC   _H23    61     1.08972   113.76717   -67.88672
   51    44 S   CA   _C20    40     1.40183   118.93454  -168.74630
   52    51 S   HA   _H26    41     1.08719   121.11366    -1.26176
   53    49 S   CM   _C14    62     1.34860   128.85377   114.15981
   54    51 S   CA   _C21    42     1.39511   120.29495   178.22282
   55    54 S   HA   _H27    43     1.08632   119.94898  -179.97202
   56    53 S   CT   _C28    63     1.50403   125.01467    -0.80649
   57    56 S   HC   _H33    64     1.09522   110.07299   127.03728
   58    56 S   HC   _H34    65     1.09139   113.73071     7.13542
   59    56 S   HC   _H35    66     1.09463   110.36282  -113.36350
   60    53 S   CT   _C13    67     1.51854   119.57093   177.44227
   61    60 S   HC   _H21    68     1.09767   108.60203  -119.80336
   62    60 S   HC   _H22    69     1.09782   110.19364    -4.29655
   63    54 S   CA   _C22    44     1.39235   120.02017    -0.20367
   64    63 S   HA   _H28    45     1.08629   120.02916  -179.94766
   65    60 S   CT   _C12    70     1.53478   113.67496   118.10505
   66    65 S   HC   _H19    71     1.09498   109.48581    66.33079
   67    65 S   HC   _H20    72     1.09472   109.41290   -51.03517
   68    63 S   CA   _C23    46     1.39480   120.00142     0.25023
   69    68 S   HA   _H29    47     1.08711   118.78448   179.41316
   70    65 S   CT   _C11    73     1.53377   110.64570  -172.30787
   71    70 S   HC   _H17    74     1.09807   108.99007   -51.84878
   72    70 S   HC   _H18    75     1.09736   108.78806    62.84746
   73    44 S   CA   _C24    48     1.39651   121.44739     9.62827
   74    70 S   CT   _C9_    76     1.54224   115.66084  -174.25867
   75    74 S   HC   _H4_    77     1.09879   106.50335  -174.28396
   76    73 S   CO4  _C25    49     1.48686   121.12350     2.91027
   77    76 S   O    _O34    50     1.23023   118.77984  -166.39771
   78    74 S   CT   _C10    78     1.53309   111.18422    69.83858
   79    78 S   HC   _H14    79     1.09460   111.80319   -68.32676
   80    78 S   HC   _H15    80     1.09550   110.53729   171.83394
   81    78 S   HC   _H16    81     1.09500   110.94399    52.58728
   82    74 S   CT   _C8_    82     1.54002   115.09548   -55.39804
   83    82 S   HC   _H12    83     1.09802   108.33313  -175.95397
   84    82 S   HC   _H13    84     1.09616   109.86158    68.50149
   85    82 S   CT   _C7_    85     1.53252   114.08630   -54.57719
   86    85 S   HC   _H10    86     1.09628   109.94589   -50.66176
   87    85 S   HC   _H11    87     1.09293   109.07686    66.88060
   88    85 S   CT   _C6_    88     1.53323   110.83395  -171.58553
   89    88 S   HC   _H8_    89     1.09790   107.96475    62.92966
   90    88 S   HC   _H9_    90     1.09696   109.78124   -52.54709
   91    88 S   CT   _C5_    91     1.54507   114.10109  -175.65715
   92    91 S   HC   _H3_    92     1.09761   108.53353   -52.72512
   93    91 S   CT   _C4_    93     1.53308   108.71794  -169.64328
   94    93 S   HC   _H5_    94     1.09449   111.10952   -67.04361
   95    93 S   HC   _H6_    95     1.09545   110.89354    53.05782
   96    93 S   HC   _H7_    96     1.09421   111.45515   171.97185
   97    91 S   CT   _C29    97     1.54402   111.24593    66.65242
   98    97 S   HC   _H36    98     1.09600   109.21797    52.57163
   99    97 S   HC   _H37    99     1.09575   109.22996   -63.79868
  100    97 S   CT   _C30   100     1.53270   114.51394   174.81666
  101   100 S   HC   _H38   101     1.09553   109.31926    50.86172
  102   100 S   HC   _H39   102     1.09560   109.76047   -67.15554
  103   100 S   CT   _C31   103     1.53322   111.03795   172.29510
  104   103 S   HC   _H40   104     1.09752   109.32807   -67.13700
  105   103 S   HC   _H41   105     1.09607   108.86004    48.82651
  106   103 S   CT   _C32   106     1.53895   113.44429   169.76815
  107   106 S   HC   _H42   107     1.09749   108.60482   -57.11329
  108   106 S   CT   _C33   108     1.52882   112.42381    62.65890
  109   108 S   HC   _H43   109     1.09525   111.24610    56.43240
  110   108 S   HC   _H44   110     1.09541   110.74655   176.49915
  111   108 S   HC   _H45   111     1.09421   111.33087   -64.31921
  112   106 S   CT   _C34   112     1.53038   109.87423  -174.71992
  113   112 S   HC   _H46   113     1.09480   111.22963   -63.72438
  114   112 S   HC   _H47   114     1.09520   110.94920    56.67476
  115   112 S   HC   _H48   115     1.09517   110.76523   176.23428
  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  12   5   4   3
  19   2   1   1  15   5  14   8  10   4   3  10   6   3   2   1
  10   3   8   4  11   6   3   7   3   2   1   9   5   4   5   3
   9   5   4   4   2  12   5   4   2  12   8   1   1   7   3   2
   1   9   5   4   9   5   4  12   5   4  12   8   7   3   2   1
   9   5   4   9   5   4  12   5   4   9   8   7   3   2   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    76    39    40    45    41    42    43    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    51    73    76    77    39    40    45    46    47    48    41    42    43    49    50    53  
   35    36  
   36  
    0  
   38    44    51    52    54    68    73    76    39    40    45    41    42    43    49  
   44    51    73    39    41  
   40    45    46    47    48    41    42    43    49    44    68    73    76    77  
   45    46    47    48    41    73    76    77  
   42    43    49    50    53    56    60    44    45    76  
   43    49    50    53  
   49    50    53  
   51    52    54    55    63    68    69    73    76    77  
   46    47    48    73    76    77  
   47    48    76  
   48    76  
   76  
   50    53    56    57    58    59    60    61    62    65  
   53    56    60  
   52    54    55    63    64    68    73    76  
   54    55    63    73  
   56    57    58    59    60    61    62    65    66    67    70  
   55    63    64    68    69    73  
   63    64    68  
   57    58    59    60    61    62    65  
   58    59    60  
   59    60  
   60  
   61    62    65    66    67    70    71    72    74  
   62    65    66    67    70  
   65    66    67    70  
   64    68    69    73    76  
   68    69    73  
   66    67    70    71    72    74    75    78    82  
   67    70    71    72    74  
   70    71    72    74  
   69    73    76    77  
   73    76  
   71    72    74    75    78    79    80    81    82    83    84    85  
   72    74    75    78    82  
   74    75    78    82  
   76    77  
   75    78    79    80    81    82    83    84    85    86    87    88  
   78    79    80    81    82    83    84    85  
   77  
    0  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85    86    87    88    89    90    91  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88    89    90    91    92    93    97  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91    92    93    94    95    96    97    98    99   100  
   90    91    92    93    97  
   91    92    93    97  
   92    93    94    95    96    97    98    99   100   101   102   103  
   93    94    95    96    97    98    99   100  
   94    95    96    97    98    99   100  
   95    96    97  
   96    97  
   97  
   98    99   100   101   102   103   104   105   106  
   99   100   101   102   103  
  100   101   102   103  
  101   102   103   104   105   106   107   108   112  
  102   103   104   105   106  
  103   104   105   106  
  104   105   106   107   108   109   110   111   112   113   114   115  
  105   106   107   108   112  
  106   107   108   112  
  107   108   109   110   111   112   113   114   115  
  108   109   110   111   112   113   114   115  
  109   110   111   112   113   114   115  
  110   111   112  
  111   112  
  112  
  113   114   115  
  114   115  
  115  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    41   268.000  1.529
   37    38   570.000  1.229
   37    44   310.000  1.470
   44    51   469.000  1.400
   44    73   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    55   367.000  1.080
   54    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    69   367.000  1.080
   68    73   469.000  1.400
   73    76   310.000  1.470
   76    77   570.000  1.229
   76    39   317.000  1.522
   39    40   570.000  1.307
   39    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   317.000  1.510
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    56   317.000  1.510
   53    60   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   268.000  1.529
   91    92   340.000  1.090
   91    93   268.000  1.529
   91    97   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  106   107   340.000  1.090
  106   108   268.000  1.529
  106   112   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  115.47100
   33    39    76    63.00000  111.10000
   33    39    40    50.00000  109.50000
   33    39    45    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    49    70.00000  112.02700
   37    44    51    60.00000  119.52600
   37    44    73    60.00000  119.52600
   44    37    38    75.00000  123.78400
   44    51    52    35.00000  120.00000
   44    51    54    63.00000  120.00000
   44    73    68    63.00000  120.00000
   44    73    76    60.00000  119.52600
   51    54    55    35.00000  120.00000
   51    54    63    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    63    64    35.00000  120.00000
   54    63    68    63.00000  120.00000
   63    54    55    35.00000  120.00000
   63    68    69    35.00000  120.00000
   63    68    73    63.00000  120.00000
   68    63    64    35.00000  120.00000
   68    73    76    60.00000  119.52600
   73    44    51    63.00000  120.00000
   73    68    69    35.00000  120.00000
   73    76    77    75.00000  123.78400
   73    76    39    65.00000  115.47100
   76    39    40    90.00000  108.74100
   76    39    45    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    76    77    80.00000  120.40000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    48    37.50000  110.70000
   45    39    40    50.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   41    33    37    63.00000  111.10000
   41    33    39    58.35000  112.70000
   41    49    50    35.00000  117.00000
   41    49    53    70.00000  124.00000
   43    41    42    33.00000  107.80000
   49    41    42    35.00000  109.50000
   49    41    43    35.00000  109.50000
   49    53    56    70.00000  124.00000
   49    53    60    70.00000  124.00000
   53    49    50    35.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   53    60    61    35.00000  109.50000
   53    60    62    35.00000  109.50000
   53    60    65    70.00000  112.02700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    53    56    65.00000  117.92700
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    70    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    74    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    58.35000  112.70000
   70    74    82    58.35000  112.70000
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    80    37.50000  110.70000
   74    78    81    37.50000  110.70000
   74    82    83    37.50000  110.70000
   74    82    84    37.50000  110.70000
   74    82    85    58.35000  112.70000
   78    74    75    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    74    75    37.50000  110.70000
   82    74    78    58.35000  112.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    91    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   88    91    92    37.50000  110.70000
   88    91    93    58.35000  112.70000
   88    91    97    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    37.50000  110.70000
   91    88    90    37.50000  110.70000
   91    93    94    37.50000  110.70000
   91    93    95    37.50000  110.70000
   91    93    96    37.50000  110.70000
   91    97    98    37.50000  110.70000
   91    97    99    37.50000  110.70000
   91    97   100    58.35000  112.70000
   93    91    92    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    91    92    37.50000  110.70000
   97    91    93    58.35000  112.70000
   97   100   101    37.50000  110.70000
   97   100   102    37.50000  110.70000
   97   100   103    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   103   104    37.50000  110.70000
  100   103   105    37.50000  110.70000
  100   103   106    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    37.50000  110.70000
  103   100   102    37.50000  110.70000
  103   106   107    37.50000  110.70000
  103   106   108    58.35000  112.70000
  103   106   112    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  106   108   109    37.50000  110.70000
  106   108   110    37.50000  110.70000
  106   108   111    37.50000  110.70000
  106   112   113    37.50000  110.70000
  106   112   114    37.50000  110.70000
  106   112   115    37.50000  110.70000
  108   106   107    37.50000  110.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
  112   106   107    37.50000  110.70000
  112   106   108    58.35000  112.70000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    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
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  101   100   103   106   0.15000  1.0 3.0
  102   100   103   104   0.15000  1.0 3.0
  102   100   103   105   0.15000  1.0 3.0
  102   100   103   106   0.15000  1.0 3.0
  103   106   108   109   0.15000  1.0 3.0
  103   106   108   110   0.15000  1.0 3.0
  103   106   108   111   0.15000  1.0 3.0
  103   106   112   113   0.15000  1.0 3.0
  103   106   112   114   0.15000  1.0 3.0
  103   106   112   115   0.15000  1.0 3.0
  104   103   106   107   0.15000  1.0 3.0
  104   103   106   108   0.15000  1.0 3.0
  104   103   106   112   0.15000  1.0 3.0
  105   103   106   107   0.15000  1.0 3.0
  105   103   106   108   0.15000  1.0 3.0
  105   103   106   112   0.15000  1.0 3.0
  107   106   108   109   0.15000  1.0 3.0
  107   106   108   110   0.15000  1.0 3.0
  107   106   108   111   0.15000  1.0 3.0
  107   106   112   113   0.15000  1.0 3.0
  107   106   112   114   0.15000  1.0 3.0
  107   106   112   115   0.15000  1.0 3.0
  108   106   112   113   0.15000  1.0 3.0
  108   106   112   114   0.15000  1.0 3.0
  108   106   112   115   0.15000  1.0 3.0
  112   106   108   109   0.15000  1.0 3.0
  112   106   108   110   0.15000  1.0 3.0
  112   106   108   111   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   51    73    44    37   4.00000 -1.0 2.0
   54    52    51    44   1.10000 -1.0 2.0
   63    55    54    51   1.10000 -1.0 2.0
   68    64    63    54   1.10000 -1.0 2.0
   73    69    68    63   1.10000 -1.0 2.0
   68    76    73    44   4.00000 -1.0 2.0
   73    39    76    77  10.50000 -1.0 2.0
   41    50    49    53  15.00000 -1.0 2.0
   56    60    53    49  15.00000 -1.0 2.0
END
