* LIGAND DATABASE FILE (OPLS2005)
*
001     114   115    217    327     637
    1     0 S   NP   _N1_     1    28.88419    97.46117   -17.81388
    2     1 S   H    _HN1     2     1.02839    54.08343   147.71354
    3     1 S   H    _H1_     3     1.02781    71.56679   -82.41851
    4     1 S   H    _H2_     4     1.02962    82.10394    29.95908
    5     1 S   CT   _CA1     5     1.50131   163.70245   171.19953
    6     5 S   HC   _HA1     6     1.09573   105.23135    38.87768
    7     5 S   CO3  _C1_     7     1.53886   112.32053   -81.23397
    8     7 S   O2Z  _O11     8     1.26350   115.03054   -43.60617
    9     7 S   O2Z  _O12     9     1.26300   115.05935   135.76282
   10     5 S   CT   _CB1    10     1.53199   107.38105   156.75093
   11    10 S   HC   HB11    11     1.09809   109.53038   -50.25867
   12    10 S   HC   HB12    12     1.09818   110.34881    66.42203
   13    10 S   CT   _CG1    13     1.52900   112.50690  -171.36910
   14    13 S   HC   HG11    14     1.09341   109.96993   -61.58267
   15    13 S   HC   HG12    15     1.09626   110.17887    57.52614
   16    13 S   C    _CD1    16     1.51742   112.77144   178.34886
   17    16 S   O    _OE1    17     1.22696   123.27862    -7.52874
   18    16 S   N    _N2_    18     1.38661   111.48209   172.74412
   19    18 S   H    _HN2    19     1.01632   118.93881     1.32293
   20    18 S   CT1  _CA2    20     1.46253   123.59019  -178.19095
   21    20 S   HC   _HA2    21     1.09729   109.41726    -9.03840
   22    20 S   C    _C2_    22     1.53419   108.44416  -124.79865
   23    22 S   O    _O2_    23     1.23025   122.20316  -146.13532
   24    20 S   CT   _CB2    32     1.53573   111.21785   113.02882
   25    24 S   HC   HB21    33     1.09360   109.26387    55.79852
   26    24 S   HC   HB22    34     1.09473   110.30271   174.45440
   27    22 S   N    _N3_    24     1.38499   113.43426    41.29318
   28    27 S   H    _HN3    25     1.01518   118.91674    -0.72685
   29    24 S   S    _SG2    35     1.82957   111.18795   -66.20620
   30    27 S   CT   _CA3    26     1.45448   123.45900   175.14602
   31    30 S   HC   HA31    27     1.09524   109.24551    24.24587
   32    30 S   HC   HA32    28     1.09498   107.11775   141.23927
   33    29 S   CT   _C15    36     1.86226   102.01610   159.90836
   34    30 S   CO3  _C3_    29     1.52923   113.11330   -99.24635
   35    34 S   O2Z  _O31    30     1.26407   115.40884   -44.80743
   36    34 S   O2Z  _O32    31     1.26360   114.99109   136.14110
   37    33 S   CT   _C16    37     1.54210   104.87190   178.06771
   38    37 S   HC   _H22    38     1.09499   112.70519    53.65415
   39    37 S   HC   _H23    39     1.09707   111.44401   -66.92889
   40    37 S   HC   _H24    40     1.09611   111.22622   173.64245
   41    33 S   CT   _C17    41     1.54992   107.80147    61.05994
   42    41 S   HC   _H25    42     1.09913   110.78914    47.44100
   43    41 S   HC   _H26    43     1.09743   111.75744   -69.79689
   44    33 S   CT   _C14    74     1.55722   112.90652   -60.96046
   45    44 S   HC   _H20    75     1.09499   107.03349  -165.43588
   46    44 S   HC   _H21    76     1.09673   108.56022    80.60190
   47    41 S   CO4  _C18    44     1.51431   114.92322   167.28771
   48    47 S   O    _O37    45     1.22492   123.06502   -94.32553
   49    44 S   CT   _C11    77     1.54356   118.86192   -44.00799
   50    49 S   HC   _H7_    78     1.09508   108.97094    55.59486
   51    47 S   OS   _O38    46     1.36350   110.87128    86.41559
   52    49 S   CT   _C12    79     1.54111   111.16076   175.55578
   53    52 S   HC   _H8_    80     1.09657   109.28297    57.27131
   54    51 S   CT   _C19    47     1.43840   116.51446   176.30456
   55    54 S   HC   _H27    48     1.09531   112.03643    23.67776
   56    54 S   HC   _H28    49     1.09557   107.51234   -94.39184
   57    52 S   CT   _C13    81     1.53695   110.63579   177.30565
   58    57 S   HC   _H9_    82     1.09573   110.13571  -175.84598
   59    52 S   OH   _O36   113     1.42545   110.18352   -60.62759
   60    59 S   HO   _H19   114     0.97227   107.58908  -173.70829
   61    54 S   CT   _C20    50     1.52806   110.37424   146.58196
   62    61 S   HC   _H29    51     1.09642   108.79492  -178.68003
   63    61 S   HC   _H30    52     1.09710   108.75816    65.21113
   64    57 S   CT   _C9_    83     1.54009   111.20311   -51.91027
   65    64 S   HC   _H6_    84     1.09747   109.01010   167.10450
   66    57 S   OH   _O35   111     1.43086   108.38542    68.42946
   67    66 S   HO   _H18   112     0.97553   108.24537  -171.52092
   68    61 S   CT   _C21    53     1.53283   115.13989   -55.48214
   69    68 S   HC   _H31    54     1.09723   108.34987  -174.86691
   70    68 S   HC   _H32    55     1.09413   109.14115    70.22097
   71    64 S   CT   _C10    85     1.53801   109.24486    50.04099
   72    71 S   HC   _H16    86     1.09622   111.06300    66.60848
   73    71 S   HC   _H17    87     1.09410   111.05786  -175.03347
   74    64 S   CT   _C8_    89     1.54227   110.41187   -73.81238
   75    74 S   HC   _H14    90     1.09764   109.13246   -45.84057
   76    74 S   HC   _H15    91     1.09489   111.12159    71.31561
   77    68 S   CT   _C22    56     1.52971   113.84237   -53.17331
   78    77 S   HC   _H33    57     1.09653   109.47475   -59.97149
   79    77 S   HC   _H34    58     1.09515   110.20561    57.76029
   80    49 S   OS   _O34    88     1.42987   109.29155   -64.10613
   81    74 S   C3T  _C7_    92     1.49659   112.08083  -166.96960
   82    81 S   HC   _H5_    93     1.08103   114.04820   -75.65352
   83    77 S   CT   _C23    59     1.53013   111.72116   178.09978
   84    83 S   HC   _H35    60     1.09619   109.33594   -58.51356
   85    83 S   HC   _H36    61     1.09641   109.92641    59.04694
   86    81 S   C3T  _C6_    94     1.50876   121.09898    78.51548
   87    86 S   HC   _H4_    95     1.08181   118.87089    -6.10942
   88    83 S   CT   _C24    62     1.53003   110.88221  -179.37224
   89    88 S   HC   _H37    63     1.09683   109.41066   -61.68141
   90    88 S   HC   _H38    64     1.09708   109.53048    55.42268
   91    81 S   O3T  _O33    96     1.43375   114.40029   144.90852
   92    86 S   CT   _C5_    97     1.50643   119.98842  -156.04667
   93    92 S   HC   _H3_    98     1.09843   109.13829   -35.73792
   94    88 S   CT   _C25    65     1.52928   111.74756   176.64439
   95    94 S   HC   _H39    66     1.09678   109.76901    57.48032
   96    94 S   HC   _H40    67     1.09631   109.36164   -59.63819
   97    92 S   CT   _C4_    99     1.53346   109.10764    81.39766
   98    97 S   HC   _H11   100     1.09549   111.65940    58.98433
   99    97 S   HC   _H12   101     1.09565   110.65231   -60.42367
  100    97 S   HC   _H13   102     1.09483   110.92728   179.93147
  101    92 S   CT   _C28   103     1.54331   112.44715  -155.18157
  102   101 S   HC   _H10   104     1.09693   108.40446   179.94065
  103    94 S   CT   _C26    68     1.52584   111.17014   179.19570
  104   103 S   HC   _H41    69     1.09729   109.35944    58.03116
  105   103 S   HC   _H42    70     1.09722   109.36504   -59.09717
  106   101 S   CT   _C29   105     1.52436   113.40727    59.51452
  107   106 S   HC   _H43   106     1.09489   111.51625   -68.57513
  108   106 S   HC   _H44   107     1.09407   111.40493    53.67282
  109   106 S   HC   _H45   108     1.09571   110.10534   173.86953
  110   101 S   OH   _O41   109     1.42636   110.26806   -63.24590
  111   110 S   HO   _H46   110     0.97232   107.57107  -178.17179
  112   103 S   CO3  _C27    71     1.53169   115.68622   179.43076
  113   112 S   O2Z  _O40    72     1.26537   114.02020  -179.80719
  114   112 S   O2Z  _O39    73     1.26080   116.70943     0.19584
  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  13   5   4   3
  17   2   1   1  11   4   3   2  10   5   4  11   5   4   6   2
  13   6   7  12   7   9   5   4  15   7   4   1   9   5   4  14
   9   3   1   9   5   4   7   3   2   9   5   4   9   5   4   1
   8   4   9   5   4  12   5   9   5   4   4  13   8   8   5   4
   7   3   2   1   7   6   5   4   3   5   3   2   1   1   1   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    41    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    47    44    45    46    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    47    48    51    44    45    46    49    50    52    80  
   35    36  
   36  
    0  
   38    39    40    41    42    43    47    44    45    46    49  
   39    40    41    44  
   40    41    44  
   41    44  
   42    43    47    48    51    54    44    45    46    49  
   43    47    48    51    44  
   47    48    51    44  
   45    46    49    50    52    53    57    71    80    59    47  
   46    49    50    52    80  
   49    50    52    80  
   48    51    54    55    56    61  
   51    54  
   50    52    53    57    58    64    71    72    73    80    66    59    60  
   52    53    57    71    80    59  
   54    55    56    61    62    63    68  
   53    57    58    64    65    71    80    74    66    67    59    60  
   57    58    64    80    66    59    60  
   55    56    61    62    63    68    69    70    77  
   56    61    62    63    68  
   61    62    63    68  
   58    64    65    71    72    73    80    74    75    76    81    66    67    59    60  
   64    65    71    74    66    67    59  
   60    64    66    80  
    0  
   62    63    68    69    70    77    78    79    83  
   63    68    69    70    77  
   68    69    70    77  
   65    71    72    73    80    74    75    76    81    82    86    91    66    67  
   71    72    73    80    74    75    76    81    66  
   67    71    74  
    0  
   69    70    77    78    79    83    84    85    88  
   70    77    78    79    83  
   77    78    79    83  
   72    73    80    74    75    76    81  
   73    80    74  
   80    74  
   75    76    81    82    86    87    91    92    80  
   76    81    82    86    91  
   81    82    86    91  
   78    79    83    84    85    88    89    90    94  
   79    83    84    85    88  
   83    84    85    88  
    0  
   82    86    87    91    92    93    97   101  
   86    87    91    92  
   84    85    88    89    90    94    95    96   103  
   85    88    89    90    94  
   88    89    90    94  
   87    91    92    93    97    98    99   100   101   102   106   110  
   91    92    93    97   101  
   89    90    94    95    96   103   104   105   112  
   90    94    95    96   103  
   94    95    96   103  
   92    93    97   101  
   93    97    98    99   100   101   102   106   107   108   109   110   111  
   97    98    99   100   101   102   106   110  
   95    96   103   104   105   112   113   114  
   96   103   104   105   112  
  103   104   105   112  
   98    99   100   101   102   106   110  
   99   100   101  
  100   101  
  101  
  102   106   107   108   109   110   111  
  106   107   108   109   110   111  
  104   105   112   113   114  
  105   112   113   114  
  112   113   114  
  107   108   109   110   111  
  108   109   110  
  109   110  
  110  
  111  
    0  
  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   0.167500   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  111   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  112   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  114   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    41   268.000  1.529
   33    44   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   317.000  1.522
   47    48   570.000  1.229
   47    51   214.000  1.327
   51    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   112   317.000  1.522
  112   113   656.000  1.250
  112   114   656.000  1.250
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    80   320.000  1.410
   52    53   340.000  1.090
   52    57   268.000  1.529
   52    59   320.000  1.410
   57    58   340.000  1.090
   57    64   268.000  1.529
   57    66   320.000  1.410
   64    65   340.000  1.090
   64    71   268.000  1.529
   64    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    80   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    81   275.000  1.510
   81    82   340.000  1.088
   81    86   260.000  1.509
   81    91   335.000  1.432
   86    87   340.000  1.088
   86    91   335.000  1.432
   86    92   275.000  1.510
   92    93   340.000  1.090
   92    97   268.000  1.529
   92   101   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
  101   102   340.000  1.090
  101   106   268.000  1.529
  101   110   320.000  1.410
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  110   111   553.000  0.945
   66    67   553.000  0.945
   59    60   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    41    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    47    63.00000  111.10000
   33    44    45    37.50000  110.70000
   33    44    46    37.50000  110.70000
   33    44    49    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    47    48    80.00000  120.40000
   41    47    51    81.00000  111.40000
   43    41    42    33.00000  107.80000
   47    41    42    35.00000  109.50000
   47    41    43    35.00000  109.50000
   47    51    54    83.00000  116.90000
   51    47    48    83.00000  123.40000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    61    50.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    68    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    77    58.35000  112.70000
   63    61    62    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    63    37.50000  110.70000
   68    77    78    37.50000  110.70000
   68    77    79    37.50000  110.70000
   68    77    83    58.35000  112.70000
   70    68    69    33.00000  107.80000
   77    68    69    37.50000  110.70000
   77    68    70    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    88    58.35000  112.70000
   79    77    78    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   83    88    89    37.50000  110.70000
   83    88    90    37.50000  110.70000
   83    88    94    58.35000  112.70000
   85    83    84    33.00000  107.80000
   88    83    84    37.50000  110.70000
   88    83    85    37.50000  110.70000
   88    94    95    37.50000  110.70000
   88    94    96    37.50000  110.70000
   88    94   103    58.35000  112.70000
   90    88    89    33.00000  107.80000
   94    88    89    37.50000  110.70000
   94    88    90    37.50000  110.70000
   94   103   104    37.50000  110.70000
   94   103   105    37.50000  110.70000
   94   103   112    70.00000  109.69300
   96    94    95    33.00000  107.80000
  103    94    95    37.50000  110.70000
  103    94    96    37.50000  110.70000
  103   112   113    70.00000  117.00000
  103   112   114    70.00000  117.00000
  105   103   104    33.00000  107.80000
  112   103   104    35.00000  109.50000
  112   103   105    35.00000  109.50000
  114   112   113    80.00000  126.00000
   44    33    37    58.35000  112.70000
   44    33    41    58.35000  112.70000
   44    49    50    37.50000  110.70000
   44    49    52    58.35000  112.70000
   44    49    80    50.00000  109.50000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    57    58.35000  112.70000
   49    52    59    50.00000  109.50000
   49    80    71    60.00000  109.50000
   52    49    50    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    64    58.35000  112.70000
   52    57    66    50.00000  109.50000
   52    59    60    55.00000  108.50000
   57    52    53    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    71    58.35000  112.70000
   57    64    74    58.35000  112.70000
   57    66    67    55.00000  108.50000
   64    57    58    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    80    50.00000  109.50000
   64    74    75    37.50000  110.70000
   64    74    76    37.50000  110.70000
   64    74    81    70.00000  112.37300
   71    64    65    37.50000  110.70000
   73    71    72    33.00000  107.80000
   80    49    50    35.00000  109.50000
   80    49    52    50.00000  109.50000
   80    71    72    35.00000  109.50000
   80    71    73    35.00000  109.50000
   74    64    65    37.50000  110.70000
   74    64    71    58.35000  112.70000
   74    81    82    40.00000  115.04500
   74    81    86    60.00000  120.94000
   74    81    91    80.00000  116.47100
   76    74    75    33.00000  107.80000
   81    74    75    45.00000  109.38400
   81    74    76    45.00000  109.38400
   81    86    87    37.50000  117.20000
   81    86    91    15.00000   60.43100
   81    86    92    60.00000  120.94000
   81    91    86    15.00000   59.14900
   86    81    82    37.50000  117.20000
   86    92    93    45.00000  109.38400
   86    92    97    70.00000  112.37300
   86    92   101    70.00000  112.37300
   91    81    82    50.00000  114.27700
   91    81    86    15.00000   60.43100
   91    86    87    50.00000  114.27700
   92    86    87    40.00000  115.04500
   92    86    91    80.00000  116.47100
   92    97    98    37.50000  110.70000
   92    97    99    37.50000  110.70000
   92    97   100    37.50000  110.70000
   92   101   102    37.50000  110.70000
   92   101   106    58.35000  112.70000
   92   101   110    50.00000  109.50000
   97    92    93    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
  101    92    93    37.50000  110.70000
  101    92    97    58.35000  112.70000
  101   106   107    37.50000  110.70000
  101   106   108    37.50000  110.70000
  101   106   109    37.50000  110.70000
  101   110   111    55.00000  108.50000
  106   101   102    37.50000  110.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  110   101   102    35.00000  109.50000
  110   101   106    50.00000  109.50000
   66    57    58    35.00000  109.50000
   66    57    64    50.00000  109.50000
   59    52    53    35.00000  109.50000
   59    52    57    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
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   86    92   101   110   0.20800  1.0 3.0
   87    86   -91    81   0.36800  1.0 3.0
   87    86    92    93   0.15000  1.0 3.0
   87    86    92    97   0.15000  1.0 3.0
   87    86    92   101   0.15000  1.0 3.0
   91    81   -86    87   0.23400  1.0 3.0
   91    81   -86    92   0.02550  1.0 1.0
   91    81   -86    92  -0.02600 -1.0 2.0
   91    81   -86    92   1.20400  1.0 3.0
   91    86    92    93   0.23400  1.0 3.0
   91    86    92    97   0.02550  1.0 1.0
   91    86    92    97  -0.02600 -1.0 2.0
   91    86    92    97   1.20400  1.0 3.0
   91    86    92   101   0.02550  1.0 1.0
   91    86    92   101  -0.02600 -1.0 2.0
   91    86    92   101   1.20400  1.0 3.0
   92    86   -91    81   0.06250  1.0 1.0
   92    86   -91    81  -0.01100 -1.0 2.0
   92    86   -91    81   0.28050  1.0 3.0
   92   101   106   107   0.15000  1.0 3.0
   92   101   106   108   0.15000  1.0 3.0
   92   101   106   109   0.15000  1.0 3.0
   92   101   110   111  -0.11600  1.0 1.0
   92   101   110   111  -0.09450 -1.0 2.0
   92   101   110   111   0.21250  1.0 3.0
   93    92    97    98   0.15000  1.0 3.0
   93    92    97    99   0.15000  1.0 3.0
   93    92    97   100   0.15000  1.0 3.0
   93    92   101   102   0.15000  1.0 3.0
   93    92   101   106   0.15000  1.0 3.0
   93    92   101   110   0.23400  1.0 3.0
   97    92   101   102   0.15000  1.0 3.0
   97    92   101   106   0.56750  1.0 1.0
   97    92   101   106  -0.07550 -1.0 2.0
   97    92   101   106   0.20000  1.0 3.0
   97    92   101   110   0.86500  1.0 1.0
   97    92   101   110  -0.17500 -1.0 2.0
   97    92   101   110   0.20800  1.0 3.0
  101    92    97    98   0.15000  1.0 3.0
  101    92    97    99   0.15000  1.0 3.0
  101    92    97   100   0.15000  1.0 3.0
  102   101   106   107   0.15000  1.0 3.0
  102   101   106   108   0.15000  1.0 3.0
  102   101   106   109   0.15000  1.0 3.0
  102   101   110   111   0.19450  1.0 3.0
  106   101   110   111  -0.11600  1.0 1.0
  106   101   110   111  -0.09450 -1.0 2.0
  106   101   110   111   0.21250  1.0 3.0
  110   101   106   107   0.23400  1.0 3.0
  110   101   106   108   0.23400  1.0 3.0
  110   101   106   109   0.23400  1.0 3.0
   66    57    64    65   0.23400  1.0 3.0
   66    57    64    71   0.86500  1.0 1.0
   66    57    64    71  -0.17500 -1.0 2.0
   66    57    64    71   0.20800  1.0 3.0
   66    57    64    74   0.86500  1.0 1.0
   66    57    64    74  -0.17500 -1.0 2.0
   66    57    64    74   0.20800  1.0 3.0
   59    52    57    58   0.23400  1.0 3.0
   59    52    57    64   0.86500  1.0 1.0
   59    52    57    64  -0.17500 -1.0 2.0
   59    52    57    64   0.20800  1.0 3.0
   59    52    57    66   3.75450  1.0 1.0
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
   41    51    47    48  10.50000 -1.0 2.0
  113   103   112   114  10.50000 -1.0 2.0
END
