* LIGAND DATABASE FILE (OPLS2005)
*
001     107   110    209    342     635
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02093   101.41909   -45.30247
    3     1 S   H    _H1_     3     1.02044    75.41977    61.25744
    4     1 S   H    _H2_     4     1.02070    39.06017  -150.99142
    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     1.08519   110.67109    58.69410
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   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   _C24    36     1.87768    96.37701   161.86361
   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   CM   _C29    37     1.52669   103.86869    39.98900
   38    37 S   HC   _H36    38     1.08763   118.88457   -85.11153
   39    33 S   CT   _C23    52     1.54243   104.41427   -77.16067
   40    39 S   HC   _H32    53     1.09929   110.75535    60.10901
   41    39 S   HC   _H33    54     1.09761   110.50711   -57.30314
   42    37 S   CM   _C28    39     1.34338   121.14840    93.20407
   43    42 S   CM   _C27    40     1.44676   120.85461    -0.47105
   44    43 S   HC   _H35    41     1.08548   118.74247  -163.70599
   45    42 S   OH   _O37   106     1.37697   121.63573  -178.11498
   46    45 S   HO   _H37   107     0.96407   110.16733    -2.31799
   47    43 S   CM   _C26    42     1.34289   120.77243    17.17707
   48    47 S   HC   _H34    43     1.08678   119.03782   177.83762
   49    33 S   CT   _C25    44     1.59863   114.36734   161.04405
   50    49 S   CT   _C8_    45     1.59842   109.64709   169.14986
   51    50 S   HC   _H4_    46     1.10242   105.98028    61.94070
   52    49 S   CT   _C30   102     1.54804   111.19082    45.05255
   53    52 S   HC   _H38   103     1.08259   108.74582    60.33017
   54    52 S   HC   _H39   104     1.08193   108.75795   -59.65551
   55    52 S   HC   _H40   105     1.08155   108.78071  -179.70725
   56    50 S   CT   _C9_    47     1.56070   112.87218   -52.05792
   57    56 S   HC   _H5_    48     1.09389   109.59443   -64.80987
   58    50 S   CT   _C7_    68     1.56536   116.23836   176.26477
   59    58 S   HC   _H3_    69     1.09600   108.85066   -59.22930
   60    56 S   CT   _C22    49     1.53294   110.82677    54.21487
   61    60 S   HC   _H30    50     1.09616   109.81210  -175.94459
   62    60 S   HC   _H31    51     1.09774   110.27543    67.11554
   63    56 S   CT   _C10    55     1.53903   108.77327   174.85433
   64    63 S   HC   _H6_    56     1.10305   105.94803   -59.55860
   65    58 S   OH   _O38    70     1.42010   111.92514    58.19663
   66    65 S   HO   _H41    71     0.97164   106.83307  -174.44624
   67    63 S   CT   _C11    57     1.52767   118.92018  -178.16944
   68    67 S   HC   _H12    58     1.09456   112.10241    76.29105
   69    67 S   HC   _H13    59     1.09572   111.49437   -44.48893
   70    67 S   CT   _C12    60     1.54318   104.14776  -163.64141
   71    70 S   HC   _H14    61     1.09657   109.32729   131.54646
   72    70 S   HC   _H15    62     1.09676   109.79607  -110.72863
   73    70 S   CT   _C13    63     1.54576   106.21483    10.12889
   74    63 S   CT   _C5_    64     1.54369   114.01519    59.42578
   75    73 S   CO4  _C14    76     1.49951   113.04200   144.30718
   76    75 S   O    _O33    77     1.23052   121.28571  -150.02269
   77    73 S   OH   _O36   100     1.42408   109.42911   -99.85657
   78    77 S   HO   _H29   101     0.96976   106.59918   178.70714
   79    74 S   CT   _C6_    65     1.54193   107.31055   -60.90177
   80    79 S   HC   _H10    66     1.09776   110.15542   -64.64148
   81    79 S   HC   _H11    67     1.09768   109.40757   178.40873
   82    74 S   CT   _C4_    72     1.55372   113.07485    61.87830
   83    82 S   HC   _H7_    73     1.08018   108.52377    59.27434
   84    82 S   HC   _H8_    74     1.08018   108.46400   -60.71664
   85    82 S   HC   _H9_    75     1.08029   108.45802   179.29696
   86    75 S   CT   _C15    78     1.51345   116.30194    30.03099
   87    86 S   HC   _H16    79     1.09401   109.75421    29.97352
   88    86 S   HC   _H17    80     1.09346   109.03930   -90.21053
   89    86 S   OS   _O34    81     1.41149   110.69777   150.53665
   90    89 S   CO4  _C16    82     1.37237   116.23746  -180.00000
   91    90 S   O    _O35    83     1.22391   125.36642     0.00000
   92    90 S   CT   _C17    84     1.51194   110.79324   179.47214
   93    92 S   HC   _H18    85     1.09851   108.39433    30.46411
   94    92 S   HC   _H19    86     1.09827   106.88094   143.47893
   95    92 S   CT   _C18    87     1.54423   114.58359   -93.55862
   96    95 S   CT   _C19    88     1.54121   108.13741  -177.14810
   97    96 S   HC   _H20    89     1.09624   111.27404    59.30671
   98    96 S   HC   _H21    90     1.09632   111.18743   -60.68805
   99    96 S   HC   _H22    91     1.09567   111.18777   179.21516
  100    95 S   CT   _C20    92     1.53731   111.18274    63.81408
  101   100 S   HC   _H23    93     1.09485   111.71280   -61.18482
  102   100 S   HC   _H24    94     1.09574   111.15816    59.39561
  103   100 S   HC   _H25    95     1.09623   111.08489   179.15837
  104    95 S   CT   _C21    96     1.53774   111.12762   -58.20572
  105   104 S   HC   _H26    97     1.09624   111.07356    61.27659
  106   104 S   HC   _H27    98     1.09547   111.73039   -58.32689
  107   104 S   HC   _H28    99     1.09578   111.14598  -178.94835
  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
  22   2   1   1  14   5  13   6   5   7   8   4   2   1  10   3
  14  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8
   5   1  11   6   5  11   5   4  16  12  10   5   4   1   6   2
   1   3   2   1   1   6   3   2   6   8   4  15   5   4  12  11
   4   3   2   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    49    50    60    39    40    41    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    47    48    49    50    51    56    60    61    62    39    40    41    58    52    53    54    55    45  
   35    36  
   36  
    0  
   38    42    43    44    47    49    50    60    39    40    41    52    45    46  
   42    43    49    39    45  
   40    41    63    52    42    47    49    50    56    57    60    61    62  
   41    49    56    60    61    62  
   49    56    60    61    62  
   43    44    47    48    49    45    46  
   44    47    48    49    50    52    45    46  
   47    48    49    45  
   46    47  
    0  
   48    49    50    51    56    58    52    53    54    55  
   49    50    52  
   50    51    56    57    60    63    79    58    59    65    52    53    54    55  
   51    56    57    60    61    62    63    64    67    74    79    80    81    58    59    65    66    52    53    54    55  
   56    57    60    63    79    58    59    65    52  
   53    54    55    56    58  
   54    55  
   55  
    0  
   57    60    61    62    63    64    67    68    69    70    73    74    79    58    59    65    82  
   60    61    62    63    64    67    74    58  
   59    65    66    82    60    63    73    74    79    80    81  
   65    66    74    79    80    81  
   61    62    63    64    67    74  
   62    63  
   63  
   64    67    68    69    70    71    72    73    74    79    80    81    82    83    84    85    75    77  
   67    68    69    70    73    74    79    82  
   66    74    79    80    81  
   79  
   68    69    70    71    72    73    74    79    82    75    77  
   69    70    71    72    73    74  
   70    71    72    73    74  
   71    72    73    74    79    82    75    76    86    77    78  
   72    73    74    75    77  
   73    74    75    77  
   74    79    80    81    82    83    84    85    75    76    86    87    88    89    77    78  
   79    80    81    82    83    84    85    75    76    86    77    78  
   76    86    87    88    89    90    77    78    79    82  
   86    87    88    89    77  
   78    79    82    86  
    0  
   80    81    82    83    84    85  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
   87    88    89    90    91    92  
   88    89    90  
   89    90  
   90    91    92    93    94    95  
   91    92    93    94    95    96   100   104  
   92    93    94    95  
   93    94    95    96    97    98    99   100   101   102   103   104   105   106   107  
   94    95    96   100   104  
   95    96   100   104  
   96    97    98    99   100   101   102   103   104   105   106   107  
   97    98    99   100   101   102   103   104   105   106   107  
   98    99   100   104  
   99   100   104  
  100   104  
  101   102   103   104   105   106   107  
  102   103   104  
  103   104  
  104  
  105   106   107  
  106   107  
  107  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    49   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   380.000  1.444
   42    45   510.000  1.338
   43    44   340.000  1.080
   43    47   549.000  1.340
   47    48   340.000  1.080
   47    49   317.000  1.510
   49    50   268.000  1.529
   49    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    58   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    74   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   268.000  1.529
   73    75   317.000  1.522
   73    77   320.000  1.410
   74    79   268.000  1.529
   74    82   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    58   268.000  1.529
   58    59   340.000  1.090
   58    65   320.000  1.410
   65    66   553.000  0.945
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   75    76   570.000  1.229
   75    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   320.000  1.410
   89    90   214.000  1.327
   90    91   570.000  1.229
   90    92   317.000  1.522
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   268.000  1.529
   95    96   268.000  1.529
   95   100   268.000  1.529
   95   104   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   77    78   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   45    46   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  112.20000
   29    33    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    49    47    70.00000  112.02700
   33    49    50    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    39    60    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    70.00000  123.01800
   37    42    45    80.00000  121.38400
   42    37    38    35.00000  120.00000
   42    43    44    35.00000  120.00000
   42    43    47    70.00000  123.01800
   42    45    46    70.00000  107.45700
   43    47    48    35.00000  120.00000
   43    47    49    70.00000  124.00000
   47    43    44    35.00000  120.00000
   47    49    50    70.00000  112.02700
   47    49    52    70.00000  112.02700
   49    33    37    70.00000  112.02700
   49    47    48    35.00000  117.00000
   49    50    51    37.50000  110.70000
   49    50    56    58.35000  112.70000
   49    50    58    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    60    58.35000  112.70000
   50    56    63    58.35000  112.70000
   50    58    79    58.35000  112.70000
   50    58    59    37.50000  110.70000
   50    58    65    50.00000  109.50000
   56    50    51    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    39    58.35000  112.70000
   56    63    64    37.50000  110.70000
   56    63    67    58.35000  112.70000
   56    63    74    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    39    40    37.50000  110.70000
   60    39    41    37.50000  110.70000
   62    60    61    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    49    58.35000  112.70000
   39    60    61    37.50000  110.70000
   39    60    62    37.50000  110.70000
   41    39    40    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    60    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    58.35000  112.70000
   63    74    73    58.35000  112.70000
   63    74    79    58.35000  112.70000
   63    74    82    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    73    74    58.35000  112.70000
   70    73    75    63.00000  111.10000
   70    73    77    50.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    74    79    58.35000  112.70000
   73    74    82    58.35000  112.70000
   73    75    76    80.00000  120.40000
   73    75    86    70.00000  116.00000
   73    77    78    55.00000  108.50000
   74    63    64    37.50000  110.70000
   74    63    67    58.35000  112.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    58    58.35000  112.70000
   74    82    83    37.50000  110.70000
   74    82    84    37.50000  110.70000
   74    82    85    37.50000  110.70000
   79    58    59    37.50000  110.70000
   79    58    65    50.00000  109.50000
   81    79    80    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    56    58.35000  112.70000
   58    79    80    37.50000  110.70000
   58    79    81    37.50000  110.70000
   58    65    66    55.00000  108.50000
   65    58    59    35.00000  109.50000
   82    74    79    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   75    73    74    63.00000  111.10000
   75    86    87    35.00000  109.50000
   75    86    88    35.00000  109.50000
   75    86    89    90.00000  108.74100
   86    75    76    80.00000  120.40000
   86    89    90    83.00000  116.90000
   88    86    87    33.00000  107.80000
   89    86    87    35.00000  109.50000
   89    86    88    35.00000  109.50000
   89    90    91    83.00000  123.40000
   89    90    92    81.00000  111.40000
   90    92    93    35.00000  109.50000
   90    92    94    35.00000  109.50000
   90    92    95    63.00000  111.10000
   92    90    91    80.00000  120.40000
   92    95    96    58.35000  112.70000
   92    95   100    58.35000  112.70000
   92    95   104    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    37.50000  110.70000
   95    92    94    37.50000  110.70000
   95    96    97    37.50000  110.70000
   95    96    98    37.50000  110.70000
   95    96    99    37.50000  110.70000
   95   100   101    37.50000  110.70000
   95   100   102    37.50000  110.70000
   95   100   103    37.50000  110.70000
   95   104   105    37.50000  110.70000
   95   104   106    37.50000  110.70000
   95   104   107    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
  100    95    96    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    95    96    58.35000  112.70000
  104    95   100    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   77    73    74    50.00000  109.50000
   77    73    75    90.00000  109.61100
   52    49    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   45    42    43    80.00000  121.38400
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
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
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   82    74    79    58   0.20000  1.0 3.0
   75    73    74    63  -0.95700  1.0 1.0
   75    73    74    63  -0.18200 -1.0 2.0
   75    73    74    63   0.29450  1.0 3.0
   75    73    74    79  -0.95700  1.0 1.0
   75    73    74    79  -0.18200 -1.0 2.0
   75    73    74    79   0.29450  1.0 3.0
   75    73    74    82  -0.95700  1.0 1.0
   75    73    74    82  -0.18200 -1.0 2.0
   75    73    74    82   0.29450  1.0 3.0
   75    73    77    78   0.91850  1.0 1.0
   75    73    77    78   0.57950  1.0 3.0
   75    86    89    90  -1.80650  1.0 1.0
   75    86    89    90   0.63900 -1.0 2.0
   75    86    89    90   0.03650  1.0 3.0
   76    75    86    87   0.00000  1.0 1.0
   76    75    86    88   0.00000  1.0 1.0
   76    75    86    89   0.30150 -1.0 2.0
   86    89    90    91   3.00000 -1.0 2.0
   86    89    90    92   1.63150  1.0 1.0
   86    89    90    92   2.92000 -1.0 2.0
   87    86    89    90   0.08050  1.0 3.0
   88    86    89    90   0.08050  1.0 3.0
   89    90    92    93   0.00000  1.0 1.0
   89    90    92    94   0.00000  1.0 1.0
   89    90    92    95   0.36750  1.0 3.0
   90    92    95    96  -0.95700  1.0 1.0
   90    92    95    96  -0.18200 -1.0 2.0
   90    92    95    96   0.29450  1.0 3.0
   90    92    95   100  -0.95700  1.0 1.0
   90    92    95   100  -0.18200 -1.0 2.0
   90    92    95   100   0.29450  1.0 3.0
   90    92    95   104  -0.95700  1.0 1.0
   90    92    95   104  -0.18200 -1.0 2.0
   90    92    95   104   0.29450  1.0 3.0
   91    90    92    93   0.00000  1.0 1.0
   91    90    92    94   0.00000  1.0 1.0
   91    90    92    95   0.30150 -1.0 2.0
   92    95    96    97   0.15000  1.0 3.0
   92    95    96    98   0.15000  1.0 3.0
   92    95    96    99   0.15000  1.0 3.0
   92    95   100   101   0.15000  1.0 3.0
   92    95   100   102   0.15000  1.0 3.0
   92    95   100   103   0.15000  1.0 3.0
   92    95   104   105   0.15000  1.0 3.0
   92    95   104   106   0.15000  1.0 3.0
   92    95   104   107   0.15000  1.0 3.0
   93    92    95    96   0.15000  1.0 3.0
   93    92    95   100   0.15000  1.0 3.0
   93    92    95   104   0.15000  1.0 3.0
   94    92    95    96   0.15000  1.0 3.0
   94    92    95   100   0.15000  1.0 3.0
   94    92    95   104   0.15000  1.0 3.0
   96    95   100   101   0.15000  1.0 3.0
   96    95   100   102   0.15000  1.0 3.0
   96    95   100   103   0.15000  1.0 3.0
   96    95   104   105   0.15000  1.0 3.0
   96    95   104   106   0.15000  1.0 3.0
   96    95   104   107   0.15000  1.0 3.0
  100    95    96    97   0.15000  1.0 3.0
  100    95    96    98   0.15000  1.0 3.0
  100    95    96    99   0.15000  1.0 3.0
  100    95   104   105   0.15000  1.0 3.0
  100    95   104   106   0.15000  1.0 3.0
  100    95   104   107   0.15000  1.0 3.0
  104    95    96    97   0.15000  1.0 3.0
  104    95    96    98   0.15000  1.0 3.0
  104    95    96    99   0.15000  1.0 3.0
  104    95   100   101   0.15000  1.0 3.0
  104    95   100   102   0.15000  1.0 3.0
  104    95   100   103   0.15000  1.0 3.0
   77    73    74    63   0.86500  1.0 1.0
   77    73    74    63  -0.17500 -1.0 2.0
   77    73    74    63   0.20800  1.0 3.0
   77    73    74    79   0.86500  1.0 1.0
   77    73    74    79  -0.17500 -1.0 2.0
   77    73    74    79   0.20800  1.0 3.0
   77    73    74    82   0.86500  1.0 1.0
   77    73    74    82  -0.17500 -1.0 2.0
   77    73    74    82   0.20800  1.0 3.0
   77    73    75    76   0.30150 -1.0 2.0
   77    73    75    86   0.55300  1.0 1.0
   77    73    75    86   1.25850 -1.0 2.0
   77    73    75    86  -0.23600  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    56   0.56750  1.0 1.0
   52    49    50    56  -0.07550 -1.0 2.0
   52    49    50    56   0.20000  1.0 3.0
   52    49    50    58   0.56750  1.0 1.0
   52    49    50    58  -0.07550 -1.0 2.0
   52    49    50    58   0.20000  1.0 3.0
   45    42    43    44   0.00000  1.0 1.0
   45    42    43    47   0.50950  1.0 1.0
   45    42    43    47   0.56650 -1.0 2.0
   45    42    43    47   0.34050  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    38    37    42   1.10000 -1.0 2.0
   43    45    42    37   1.10000 -1.0 2.0
   42    44    43    47   1.10000 -1.0 2.0
   49    48    47    43   1.10000 -1.0 2.0
   73    86    75    76  10.50000 -1.0 2.0
   89    92    90    91  10.50000 -1.0 2.0
END
