* LIGAND DATABASE FILE (OPLS2005)
*
001     114   116    208    323     604
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02079    34.64353   141.42647
    3     1 S   H    _H1_     3     1.02080    82.79244   -80.03690
    4     1 S   H    _H2_     4     1.02030    96.73830    28.05583
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C34    36     1.81643    98.33253   161.83143
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C33    37     1.53209   111.68276   160.00142
   38    37 S   HC   _H38    38     1.09818   111.56256    45.02341
   39    37 S   HC   _H39    39     1.09544   112.96479   -77.66101
   40    33 S   OH   _O38   113     1.42670   110.67493    39.51530
   41    40 S   HO   _H40   114     0.96976   106.44639    62.58589
   42    37 S   CT   _C32    40     1.53093   104.38777   162.46071
   43    42 S   HC   _H36    41     1.09170   111.68493  -150.22900
   44    42 S   HC   _H37    42     1.09391   111.49821    85.09880
   45    42 S   CO4  _C31    43     1.50882   102.10139   -31.24622
   46    45 S   O    _O37    44     1.22498   123.49919  -170.17561
   47    33 S   CT1  _C30    45     1.53738   111.97386   -84.67831
   48    47 S   HC   _H35    46     1.09687   112.89703   -40.00236
   49    47 S   N    _N5_    47     1.43103   114.98493    87.00096
   50    49 S   H    _H34    48     1.01542   117.10827    51.63555
   51    49 S   C    _C29    49     1.38500   123.07255  -128.62374
   52    51 S   O    _O36    50     1.22686   125.68156     0.09279
   53    51 S   CM   _C28    51     1.48912   111.82261  -180.00000
   54    53 S   HC   _H33    52     1.08562   118.44935     0.07133
   55    53 S   CM   _C27    53     1.33980   120.19616   179.98022
   56    55 S   HC   _H32    54     1.08780   120.58663     0.06256
   57    55 S   CM   _C26    55     1.44721   122.70288  -179.92867
   58    57 S   HC   _H31    56     1.08804   116.99194     0.02798
   59    57 S   CM   _C25    57     1.34186   123.04341  -179.97202
   60    59 S   HC   _H30    58     1.08778   120.01893     0.05595
   61    59 S   CM   _C24    59     1.44636   122.96636  -179.97202
   62    61 S   HC   _H29    60     1.08670   117.38290     0.02798
   63    61 S   CM   _C23    61     1.34141   123.09986  -180.00000
   64    63 S   HC   _H28    62     1.08728   120.13122     0.01978
   65    63 S   CT   _C19    63     1.50719   123.66189  -180.00000
   66    65 S   CM   _C18    64     1.51521   108.62208    89.97706
   67    66 S   HC   _H27    65     1.09036   115.83816    59.97358
   68    65 S   OH   _O39   111     1.43403   107.41789  -155.15561
   69    68 S   HO   _H41   112     0.96664   106.05862   -56.27399
   70    66 S   CM   _C17    66     1.34166   125.75805  -119.63152
   71    70 S   CO4  _C22    67     1.48813   121.47999    -1.20853
   72    71 S   O    _O34    68     1.22497   122.32788   178.26867
   73    70 S   N    _N4_    74     1.36586   121.51249   179.24801
   74    73 S   H    _H26    75     1.01583   118.21514   149.99981
   75    71 S   C3T  _C21    69     1.47548   117.45676    -2.38696
   76    75 S   HC   _H5_    70     1.08351   116.53351   154.48594
   77    73 S   C    _C16    76     1.38629   123.46626   -30.02845
   78    77 S   O    _O33    77     1.23055   124.63993     0.01978
   79    65 S   C3T  _C20    71     1.50638   111.77058   -37.14812
   80    79 S   HC   _H4_    72     1.08188   114.89994   -36.17268
   81    77 S   CM   _C14    78     1.50637   113.98817   179.68973
   82    75 S   O3T  _O35    73     1.43689   113.01793   -65.16138
   83    81 S   CM   _C13    79     1.34736   115.74250  -150.01338
   84    83 S   HC   _H22    80     1.08820   120.57129     0.85318
   85    81 S   CT   _C15   107     1.50163   119.21244    27.32122
   86    85 S   HC   _H23   108     1.09443   112.60236   -87.06003
   87    85 S   HC   _H24   109     1.09485   110.58428    31.73888
   88    85 S   HC   _H25   110     1.09396   110.61469   152.25363
   89    83 S   CM   _C11    81     1.45368   126.31327   179.59944
   90    89 S   CM   _C10    82     1.34800   124.48564   -39.97318
   91    90 S   HC   _H18    83     1.09017   117.65485    -1.77354
   92    89 S   CT   _C12   103     1.50366   114.17729   138.16704
   93    92 S   HC   _H19   104     1.09552   112.13081    89.93120
   94    92 S   HC   _H20   105     1.09453   110.72299  -150.02245
   95    92 S   HC   _H21   106     1.09637   110.47083   -29.79147
   96    90 S   CT   _C8_    84     1.51508   127.62164  -179.98022
   97    96 S   HC   _H3_    85     1.09420   109.92506    -0.04846
   98    96 S   CT   _C9_    86     1.53150   108.97908  -117.51850
   99    98 S   HC   _H15    87     1.09622   111.53329   -60.97982
  100    98 S   HC   _H16    88     1.09374   111.15204    59.70090
  101    98 S   HC   _H17    89     1.09629   110.96973   178.82281
  102    96 S   CT   _C7_    90     1.54171   109.42573   119.50932
  103   102 S   HC   _H13    91     1.09773   109.32239   180.00000
  104   102 S   HC   _H14    92     1.09870   109.33357    64.42054
  105   102 S   CT   _C6_    93     1.53358   115.68792   -57.44548
  106   105 S   HC   _H11    94     1.09756   107.82639    56.11888
  107   105 S   HC   _H12    95     1.09579   110.21233   -59.31294
  108   105 S   CT   _C5_    96     1.52994   113.58927   176.91695
  109   108 S   HC   _H9_    97     1.09447   110.41151    59.17422
  110   108 S   HC   _H10    98     1.09586   109.86664   -59.15490
  111   108 S   CT   _C4_    99     1.52044   111.36570   179.83449
  112   111 S   HC   _H6_   100     1.09476   111.04495    58.21392
  113   111 S   HC   _H7_   101     1.09445   110.21604   177.91315
  114   111 S   HC   _H8_   102     1.09496   111.02701   -62.31964
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  15   2   1   1  12   7   6   6   1   7   4   3   6   3   6   3
   6   3   6   3   6   3   6   3   6   3   6   3   7   3  11   4
  12  13   5   6   1  11   9   5   7   3   4   3   9   3   2   1
   9   1  13   4   4   2   1   1  10  15   5   4   2   1   1  12
   8   7   3   2   1   9   5   4   9   5   4   6   5   4   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    47    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    45    47    48    49    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    44    45    46    47    48    49    50    51    40    41  
   35    36  
   36  
    0  
   38    39    42    43    44    45    46    47    48    49    40    41  
   39    42    43    44    45    47    40  
   42    43    44    45    47    40  
   41    42    45    47    48    49  
   47  
   43    44    45    46    47    48    49  
   44    45    46    47  
   45    46    47  
   46    47    48    49    50    51  
   47    48    49  
   48    49    50    51    52    53  
   49    50    51  
   50    51    52    53    54    55  
   51    52    53  
   52    53    54    55    56    57  
   53    54    55  
   54    55    56    57    58    59  
   55    56    57  
   56    57    58    59    60    61  
   57    58    59  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    63    64    65  
   61    62    63  
   62    63    64    65    66    79    68  
   63    64    65  
   64    65    66    67    70    75    79    80    82    68    69  
   65    66    79    68  
   66    67    70    71    75    76    79    80    82    73    68    69  
   67    70    71    72    75    79    80    82    73    74    77    68    69  
   70    71    79    73    68  
   69    70    75    79    80    82  
   79  
   71    72    75    76    79    82    73    74    77    78    81  
   72    75    76    79    80    82    73    74    77  
   75    76    79    82    73  
   74    77    78    81    83    85    75  
   77    78    81  
   76    79    80    82  
   79    80    82  
   78    81    83    84    89    85    86    87    88  
   81    83    85  
   80    82  
   82  
   83    84    89    90    92    85    86    87    88  
    0  
   84    89    90    91    96    92    93    94    95    85    86    87    88  
   89    90    92    85  
   86    87    88    89  
   87    88  
   88  
    0  
   90    91    96    97    98   102    92    93    94    95  
   91    96    97    98    99   100   101   102   103   104   105    92    93    94    95  
   96    97    98   102    92  
   93    94    95    96  
   94    95  
   95  
    0  
   97    98    99   100   101   102   103   104   105   106   107   108  
   98    99   100   101   102   103   104   105  
   99   100   101   102   103   104   105  
  100   101   102  
  101   102  
  102  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108  
  105   106   107   108  
  106   107   108   109   110   111   112   113   114  
  107   108   109   110   111  
  108   109   110   111  
  109   110   111   112   113   114  
  110   111   112   113   114  
  111   112   113   114  
  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  -0.335000   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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   74   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   75   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   79   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   82   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   90   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    47   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   317.000  1.522
   45    46   570.000  1.229
   45    47   255.000  1.522
   47    48   340.000  1.090
   47    49   337.000  1.449
   49    50   434.000  1.010
   49    51   490.000  1.335
   51    52   570.000  1.229
   51    53   410.000  1.444
   53    54   340.000  1.080
   53    55   549.000  1.340
   55    56   340.000  1.080
   55    57   380.000  1.444
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   340.000  1.080
   59    61   380.000  1.444
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   340.000  1.080
   63    65   317.000  1.510
   65    66   317.000  1.510
   65    79   275.000  1.510
   65    68   320.000  1.410
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    71   320.000  1.462
   70    73   400.000  1.384
   71    72   570.000  1.229
   71    75   290.000  1.496
   75    76   340.000  1.088
   75    79   260.000  1.509
   75    82   335.000  1.432
   79    80   340.000  1.088
   79    82   335.000  1.432
   73    74   434.000  1.010
   73    77   490.000  1.335
   77    78   570.000  1.229
   77    81   410.000  1.444
   81    83   549.000  1.340
   81    85   317.000  1.510
   83    84   340.000  1.080
   83    89   380.000  1.444
   89    90   549.000  1.340
   89    92   317.000  1.510
   90    91   340.000  1.080
   90    96   317.000  1.510
   96    97   340.000  1.090
   96    98   268.000  1.529
   96   102   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   268.000  1.529
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   68    69   553.000  0.945
   40    41   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    47    75.00000  108.68000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    47    45    70.00000  110.61500
   33    47    48    37.50000  110.70000
   33    47    49    80.00000  109.70000
   33    40    41    55.00000  108.50000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    45    63.00000  111.10000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    45    46    80.00000  120.40000
   42    45    47    65.00000  117.09000
   44    42    43    33.00000  107.80000
   45    42    43    35.00000  109.50000
   45    42    44    35.00000  109.50000
   45    47    48    45.00000  110.09800
   45    47    49    80.00000  110.29000
   47    33    37    58.35000  112.70000
   47    45    46    75.00000  123.42600
   47    49    50    38.00000  118.40000
   47    49    51    50.00000  121.90000
   49    47    48    35.00000  109.50000
   49    51    52    80.00000  122.90000
   49    51    53    80.00000  111.56200
   51    49    50    35.00000  119.80000
   51    53    54    35.00000  119.70000
   51    53    55    70.00000  118.70000
   53    51    52    80.00000  125.30000
   53    55    56    35.00000  120.00000
   53    55    57    70.00000  123.01800
   55    53    54    35.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    59    70.00000  123.01800
   57    55    56    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    70.00000  123.01800
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    70.00000  123.01800
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    65    66    70.00000  110.12100
   63    65    79    70.00000  112.02700
   63    65    68    90.00000  110.39200
   65    63    64    35.00000  117.00000
   65    66    67    35.00000  117.00000
   65    66    70    70.00000  124.00000
   65    79    75    60.00000  120.94000
   65    79    80    40.00000  115.04500
   65    79    82    80.00000  116.47100
   65    68    69    55.00000  108.50000
   66    70    71    65.00000  118.96000
   66    70    73    75.00000  120.83300
   70    66    67    35.00000  120.00000
   70    71    72    80.00000  123.72100
   70    71    75    65.00000  118.62400
   70    73    74    45.00000  117.55000
   70    73    77    70.00000  120.89900
   71    75    76    40.00000  116.18000
   71    75    79    65.00000  117.18000
   71    75    82    80.00000  114.91000
   75    71    72    75.00000  121.36600
   75    79    80    37.50000  117.20000
   75    79    82    15.00000   60.43100
   75    82    79    15.00000   59.14900
   79    65    66    70.00000  112.02700
   79    75    76    37.50000  117.20000
   82    75    76    50.00000  114.27700
   82    75    79    15.00000   60.43100
   82    79    80    50.00000  114.27700
   73    70    71    70.00000  117.92000
   73    77    78    80.00000  122.90000
   73    77    81    80.00000  111.56200
   77    73    74    35.00000  119.80000
   77    81    83    70.00000  118.70000
   77    81    85    70.00000  119.70000
   81    77    78    80.00000  125.30000
   81    83    84    35.00000  120.00000
   81    83    89    70.00000  123.01800
   81    85    86    35.00000  109.50000
   81    85    87    35.00000  109.50000
   81    85    88    35.00000  109.50000
   83    89    90    70.00000  123.01800
   83    89    92    70.00000  124.00000
   89    83    84    35.00000  120.00000
   89    90    91    35.00000  120.00000
   89    90    96    70.00000  124.00000
   89    92    93    35.00000  109.50000
   89    92    94    35.00000  109.50000
   89    92    95    35.00000  109.50000
   90    96    97    35.00000  109.50000
   90    96    98    70.00000  112.02700
   90    96   102    70.00000  112.02700
   96    90    91    35.00000  117.00000
   96    98    99    37.50000  110.70000
   96    98   100    37.50000  110.70000
   96    98   101    37.50000  110.70000
   96   102   103    37.50000  110.70000
   96   102   104    37.50000  110.70000
   96   102   105    58.35000  112.70000
   98    96    97    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  102    96    97    37.50000  110.70000
  102    96    98    58.35000  112.70000
  102   105   106    37.50000  110.70000
  102   105   107    37.50000  110.70000
  102   105   108    58.35000  112.70000
  104   102   103    33.00000  107.80000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  105   108   109    37.50000  110.70000
  105   108   110    37.50000  110.70000
  105   108   111    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    37.50000  110.70000
  108   105   107    37.50000  110.70000
  108   111   112    37.50000  110.70000
  108   111   113    37.50000  110.70000
  108   111   114    37.50000  110.70000
  110   108   109    33.00000  107.80000
  111   108   109    37.50000  110.70000
  111   108   110    37.50000  110.70000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   92    89    90    70.00000  124.00000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   85    81    83    70.00000  124.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   68    65    66    90.00000  110.39200
   68    65    79    50.00000  109.50000
   40    33    37    50.00000  109.50000
   40    33    47    50.00000  109.50000
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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  109   108   111   112   0.15000  1.0 3.0
  109   108   111   113   0.15000  1.0 3.0
  109   108   111   114   0.15000  1.0 3.0
  110   108   111   112   0.15000  1.0 3.0
  110   108   111   113   0.15000  1.0 3.0
  110   108   111   114   0.15000  1.0 3.0
   92    89    90    91   7.00000 -1.0 2.0
   92    89    90    96   7.00000 -1.0 2.0
   85    81    83    84   7.00000 -1.0 2.0
   85    81    83    89   7.00000 -1.0 2.0
   68    65    66    67   0.00000  1.0 1.0
   68    65    66    70   0.67800  1.0 1.0
   68    65    66    70   0.47050 -1.0 2.0
   68    65    66    70  -0.62500  1.0 3.0
   68    65    79    75   0.86500  1.0 1.0
   68    65    79    75  -0.17500 -1.0 2.0
   68    65    79    75   0.20800  1.0 3.0
   68    65    79    80   0.23400  1.0 3.0
   68    65    79    82   3.69350  1.0 1.0
   68    65    79    82  -1.82950 -1.0 2.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    42   0.86500  1.0 1.0
   40    33    37    42  -0.17500 -1.0 2.0
   40    33    37    42   0.20800  1.0 3.0
   40    33    47    45  -2.82700  1.0 1.0
   40    33    47    45  -0.43600 -1.0 2.0
   40    33    47    48   0.23400  1.0 3.0
   40    33    47    49   2.71450  1.0 1.0
   40    33    47    49  -0.43950 -1.0 2.0
   40    33    47    49   0.52900  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
   42    47    45    46  10.50000 -1.0 2.0
   50    51    49    47   1.00000 -1.0 2.0
   49    53    51    52  10.50000 -1.0 2.0
   51    54    53    55  15.00000 -1.0 2.0
   57    56    55    53  15.00000 -1.0 2.0
   55    58    57    59  15.00000 -1.0 2.0
   61    60    59    57  15.00000 -1.0 2.0
   59    62    61    63  15.00000 -1.0 2.0
   65    64    63    61  15.00000 -1.0 2.0
   65    67    66    70   1.10000 -1.0 2.0
   71    73    70    66   1.10000 -1.0 2.0
   70    75    71    72  10.50000 -1.0 2.0
   74    77    73    70   1.00000 -1.0 2.0
   73    81    77    78  10.50000 -1.0 2.0
   77    85    81    83  15.00000 -1.0 2.0
   89    84    83    81  15.00000 -1.0 2.0
   83    92    89    90  15.00000 -1.0 2.0
   96    91    90    89  15.00000 -1.0 2.0
END
