* LIGAND DATABASE FILE (OPLS2005)
*
001     117   120    218    338     630
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02064    33.06956   157.20938
    3     1 S   H    _H1_     3     1.02148    87.82424   -72.68447
    4     1 S   H    _H2_     4     1.02111    92.64591    35.96103
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C22    36     1.83402    98.13742   161.75414
   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   _C23    37     1.55522   110.29926   -79.96675
   38    37 S   HC   _H5_    38     1.09670   110.98520   -39.36783
   39    33 S   CT   _C27   114     1.53991   107.67271    44.09262
   40    39 S   HC   _H22   115     1.08445   109.19096    57.79392
   41    39 S   HC   _H23   116     1.08482   109.14517   -62.23572
   42    39 S   HC   _H24   117     1.08478   109.14051   177.79451
   43    37 S   C    _C24    39     1.52376   102.66037  -151.81973
   44    43 S   O    _O34    40     1.22109   126.50785  -160.86546
   45    37 S   CM   _C25   109     1.48959   117.06827    85.92890
   46    45 S   HC   _H19   110     1.08574   117.19406    53.43821
   47    43 S   N    _N7_    41     1.39360   106.78909    21.48470
   48    47 S   H    _H18    42     1.01457   123.52807  -178.76299
   49    45 S   CM   _C26   111     1.33763   124.02472  -126.55983
   50    49 S   HC   _H20   112     1.08441   120.44663  -179.97202
   51    49 S   HC   _H21   113     1.08481   121.57517    -0.00000
   52    33 S   CT   _C21    43     1.54572   110.85139   168.53884
   53    52 S   HC   _H4_    44     1.09857   110.72037    40.08658
   54    52 S   CT   _C20    45     1.52057   117.25107   -85.30709
   55    54 S   HC   _H16    46     1.09242   110.29468    46.19634
   56    54 S   HC   _H17    47     1.09257   110.16469   -73.90654
   57    54 S   CD   _C19    48     1.48999   110.33369   166.40571
   58    57 S   CM   _C18    49     1.47200   121.85866   -91.04856
   59    58 S   CM   _C17    50     1.34024   101.29148   179.27341
   60    58 S   CT   _C28   105     1.47680   125.37257    -0.29871
   61    60 S   HC   _H25   106     1.09582   110.58683   -90.56174
   62    60 S   HC   _H26   107     1.09563   110.67129   149.28333
   63    60 S   HC   _H27   108     1.09601   110.60629    29.59318
   64    59 S   CM   _C16    51     1.45145   109.78994     0.00000
   65    59 S   CT   _C29    96     1.49070   127.48429  -179.92087
   66    65 S   HC   _H28    97     1.09648   109.22336  -150.00297
   67    65 S   HC   _H29    98     1.09624   108.34399   -33.79850
   68    57 S   NI   _N6_    52     1.30194   122.67241    87.94343
   69    64 S   CM   _C15    53     1.33811   127.35574   179.79537
   70    69 S   HC   _H15    54     1.08043   122.08583   179.98022
   71    65 S   CT   _C30    99     1.52618   112.85234    86.98823
   72    71 S   HC   _H30   100     1.09768   108.38385   -60.00874
   73    71 S   HC   _H31   101     1.09778   109.67907    56.11001
   74    69 S   C5A  _C14    55     1.45854   118.80403     0.07913
   75    71 S   CO3  _C31   102     1.53371   116.92614  -179.98022
   76    75 S   O2Z  _O36   103     1.26493   114.11299  -178.86099
   77    75 S   O2Z  _O35   104     1.26118   116.55922     1.51129
   78    74 S   C5BC _C13    56     1.34882   128.74206   -90.03933
   79    78 S   C5BC _C12    57     1.45047   105.39597  -179.95154
   80    78 S   CT   _C32    87     1.48430   131.28917     0.08623
   81    80 S   HC   _H32    88     1.09849   109.50415  -135.01264
   82    80 S   HC   _H33    89     1.09843   108.60142   -18.85518
   83    79 S   C5A  _C11    58     1.46615   104.63439    -0.33043
   84    79 S   CT   _C35    83     1.47399   127.18260   178.10081
   85    84 S   HC   _H36    84     1.09731   110.77035  -180.00000
   86    84 S   HC   _H37    85     1.09634   110.78232    60.46227
   87    84 S   HC   _H38    86     1.09679   110.75227   -59.81142
   88    80 S   CT   _C33    90     1.52857   113.10273   101.95417
   89    88 S   HC   _H34    91     1.09789   108.55997   -59.99524
   90    88 S   HC   _H35    92     1.09796   109.53720    56.18459
   91    74 S   NA   _N5_    59     1.41297   119.37030    89.94285
   92    91 S   H    _H14    60     1.01767   124.24603     0.29275
   93    83 S   CT   _C10    61     1.48274   128.44325   179.22671
   94    93 S   HC   _H12    62     1.09714   108.99798    31.47499
   95    93 S   HC   _H13    63     1.09761   108.59161   148.93860
   96    88 S   CO3  _C34    93     1.53416   116.84580   179.86012
   97    96 S   O2Z  _O38    94     1.26468   114.09564  -178.70548
   98    96 S   O2Z  _O37    95     1.26177   116.53401     1.83845
   99    93 S   CT   _C9_    64     1.51766   110.87963   -90.03744
  100    99 S   HC   _H3_    65     1.09535   111.00487    39.99653
  101    99 S   CM   _C6_    66     1.50440   113.95902   166.57675
  102   101 S   CM   _C7_    67     1.34368   112.74234   118.28113
  103   101 S   CT   _C5_    76     1.49171   119.78843   -62.96792
  104   103 S   HC   _H9_    77     1.09384   108.52548    32.90778
  105   103 S   HC   _H10    78     1.09366   108.16757   150.37754
  106   102 S   C    _C8_    68     1.48136   106.65828     0.57437
  107   106 S   O    _O33    69     1.21987   125.02902   179.54673
  108   102 S   CT   _C36    72     1.48186   131.74424   179.96574
  109   108 S   HC   _H39    73     1.09386   110.39277    89.98970
  110   108 S   HC   _H40    74     1.09388   110.39875   -30.23716
  111   108 S   HC   _H41    75     1.09417   110.36511  -149.85854
  112   103 S   CT   _C4_    79     1.51501   110.51663   -88.58073
  113   112 S   HC   _H6_    80     1.09364   110.52485   -59.79163
  114   112 S   HC   _H7_    81     1.09548   110.96019  -179.97202
  115   112 S   HC   _H8_    82     1.09551   111.02752    60.41462
  116    99 S   N    _N4_    70     1.43931   111.20299   -80.25607
  117   116 S   H    _H11    71     1.01547   123.77544    61.32413
  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
  19   2   1   1  17   8   9   3   2   1   9   4   6   3   7   3
   2   1   1   7   4   8   4   3  10  12  16   6   2   1   1  10
  10   5   4   3   8   3   5   4   3  11   2   1   1  16  15  11
   5   4  13   5   2   1   1   5   4   3   5   1  10   5   4   2
   1   1  12   6  16  12   9   5   4   7   3   4   2   1   1   3
   2   1   1   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    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    52    53    54    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    53    54    55    56    57    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    48    52    53    54    45    46    49    50    51    39    40    41    42  
   43    44    47    52    45    46    49    39  
   40    41    42    43    45    47    52    53    54  
   41    42    52  
   42    52  
   52  
   44    47    48    52    53    54    45    46    49  
   47    48    52    45  
   46    49    50    51    47    52  
   49    50    51  
   48    52    53    54    55    56    57  
   52    53    54  
   50    51  
   51  
    0  
   53    54    55    56    57    58    68  
   54    55    56    57  
   55    56    57    58    59    64    68    60  
   56    57    58    68  
   57    58    68  
   58    59    64    68    69    65    60    61    62    63  
   59    64    68    69    65    66    67    71    60    61    62    63  
   64    68    69    70    74    65    66    67    71    72    73    75    60    61    62    63  
   61    62    63    64    65    68  
   62    63  
   63  
    0  
   68    69    70    74    78    91    65    66    67    71  
   66    67    71    72    73    75    76    77    68    69  
   67    71    72    73    75  
   71    72    73    75  
   69    70    74  
   70    74    78    79    83    91    92    80  
   74    78    91  
   72    73    75    76    77  
   73    75    76    77  
   75    76    77  
   78    79    83    91    92    93    84    80    81    82    88  
   76    77  
   77  
    0  
   79    83    91    92    93    84    85    86    87    80    81    82    88    89    90    96  
   83    91    92    93    94    95    99    84    85    86    87    80    81    82    88  
   81    82    88    89    90    96    97    98    83    84    91  
   82    88    89    90    96  
   88    89    90    96  
   91    92    93    94    95    99   100   101   116    84    85    86    87  
   85    86    87    91    93  
   86    87  
   87  
    0  
   89    90    96    97    98  
   90    96    97    98  
   96    97    98  
   92    93    94    95    99  
   93  
   94    95    99   100   101   102   106   116   117   103  
   95    99   100   101   116  
   99   100   101   116  
   97    98  
   98  
    0  
  100   101   102   106   107   116   117   108   103   104   105   112  
  101   102   106   116   117   103  
  102   106   107   116   117   108   109   110   111   103   104   105   112   113   114   115  
  106   107   116   117   108   109   110   111   103   104   105   112  
  104   105   112   113   114   115   106   108   116  
  105   112   113   114   115  
  112   113   114   115  
  107   116   117   108   109   110   111  
  116   117   108  
  109   110   111   116  
  110   111  
  111  
    0  
  113   114   115  
  114   115  
  115  
    0  
  117  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   92   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   99   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  102   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  103   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  117   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
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    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   317.000  1.510
   43    44   570.000  1.229
   43    47   490.000  1.335
   47    48   434.000  1.010
   47    52   337.000  1.449
   52    53   340.000  1.090
   52    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   270.000  1.508
   57    58   320.000  1.464
   57    68   500.000  1.261
   58    59   549.000  1.340
   58    60   317.000  1.510
   59    64   380.000  1.444
   59    65   317.000  1.510
   64    68   405.000  1.380
   64    69   549.000  1.340
   69    70   340.000  1.080
   69    74   375.000  1.423
   74    78   546.000  1.367
   74    91   427.000  1.381
   78    79   469.000  1.424
   78    80   285.000  1.502
   79    83   546.000  1.367
   79    84   285.000  1.502
   83    91   427.000  1.381
   83    93   295.000  1.489
   91    92   434.000  1.010
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    99   268.000  1.529
   99   100   340.000  1.090
   99   101   317.000  1.510
   99   116   337.000  1.449
  101   102   549.000  1.340
  101   103   317.000  1.510
  102   106   410.000  1.444
  102   108   317.000  1.510
  106   107   570.000  1.229
  106   116   490.000  1.335
  116   117   434.000  1.010
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   112   268.000  1.529
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    96   317.000  1.522
   96    97   656.000  1.250
   96    98   656.000  1.250
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   317.000  1.522
   75    76   656.000  1.250
   75    77   656.000  1.250
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   340.000  1.080
   49    51   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    70.00000  112.02700
   33    52    47    70.00000  110.72300
   33    52    53    37.50000  110.70000
   33    52    54    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    47    70.00000  116.60000
   37    45    46    35.00000  117.00000
   37    45    49    70.00000  124.00000
   43    37    38    35.00000  109.50000
   43    47    48    35.00000  119.80000
   43    47    52    50.00000  121.90000
   47    43    44    80.00000  122.90000
   47    52    53    35.00000  109.50000
   47    52    54    70.00000  110.72300
   52    33    37    58.35000  112.70000
   52    47    48    38.00000  118.40000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    57    70.00000  111.76100
   54    52    53    37.50000  110.70000
   54    57    58    65.00000  117.24000
   54    57    68    65.00000  122.10100
   56    54    55    33.00000  107.80000
   57    54    55    45.00000  109.49600
   57    54    56    45.00000  109.49600
   57    58    59    60.00000  120.31500
   57    58    60    65.00000  117.22000
   57    68    64    75.00000  115.77100
   58    59    64    70.00000  123.01800
   58    59    65    70.00000  124.00000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   59    64    68    70.00000  120.83400
   59    64    69    70.00000  123.01800
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    71    70.00000  112.02700
   64    69    70    35.00000  120.00000
   64    69    74    55.00000  128.24000
   68    57    58    70.00000  121.86000
   69    64    68    70.00000  120.83400
   69    74    78    50.00000  133.16000
   69    74    91    70.00000  120.38000
   74    69    70    40.00000  117.26300
   74    78    79    70.00000  107.30000
   74    78    80    60.00000  130.00000
   74    91    83    70.00000  109.80000
   74    91    92    35.00000  120.00000
   78    79    83    70.00000  107.30000
   78    79    84    60.00000  130.00000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    88    70.00000  112.17500
   79    83    91    70.00000  107.70000
   79    83    93    50.00000  133.50000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   83    91    92    35.00000  120.00000
   83    93    94    45.00000  110.47400
   83    93    95    45.00000  110.47400
   83    93    99    70.00000  113.44400
   91    74    78    70.00000  107.70000
   93    83    91    65.00000  122.56900
   93    99   100    37.50000  110.70000
   93    99   101    70.00000  112.02700
   93    99   116    70.00000  110.72300
   95    93    94    33.00000  107.80000
   99    93    94    37.50000  110.70000
   99    93    95    37.50000  110.70000
   99   101   102    70.00000  124.00000
   99   101   103    65.00000  117.92700
   99   116   106    50.00000  121.90000
   99   116   117    38.00000  118.40000
  101    99   100    35.00000  109.50000
  101   102   106    70.00000  118.70000
  101   102   108    70.00000  124.00000
  101   103   104    35.00000  109.50000
  101   103   105    35.00000  109.50000
  101   103   112    70.00000  112.02700
  102   106   107    80.00000  125.30000
  102   106   116    80.00000  111.56200
  102   108   109    35.00000  109.50000
  102   108   110    35.00000  109.50000
  102   108   111    35.00000  109.50000
  106   116   117    35.00000  119.80000
  116    99   100    35.00000  109.50000
  116    99   101    75.00000  110.78400
  116   106   107    80.00000  122.90000
  108   102   106    70.00000  119.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
  103   101   102    70.00000  124.00000
  103   112   113    37.50000  110.70000
  103   112   114    37.50000  110.70000
  103   112   115    37.50000  110.70000
  105   103   104    33.00000  107.80000
  112   103   104    37.50000  110.70000
  112   103   105    37.50000  110.70000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
   84    79    83    60.00000  130.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   80    78    79    60.00000  130.00000
   80    88    89    37.50000  110.70000
   80    88    90    37.50000  110.70000
   80    88    96    70.00000  109.69300
   82    80    81    33.00000  107.80000
   88    80    81    37.50000  110.70000
   88    80    82    37.50000  110.70000
   88    96    97    70.00000  117.00000
   88    96    98    70.00000  117.00000
   90    88    89    33.00000  107.80000
   96    88    89    35.00000  109.50000
   96    88    90    35.00000  109.50000
   98    96    97    80.00000  126.00000
   65    59    64    70.00000  124.00000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    75    70.00000  109.69300
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    75    76    70.00000  117.00000
   71    75    77    70.00000  117.00000
   73    71    72    33.00000  107.80000
   75    71    72    35.00000  109.50000
   75    71    73    35.00000  109.50000
   77    75    76    80.00000  126.00000
   60    58    59    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    70.00000  115.00700
   45    49    50    35.00000  120.00000
   45    49    51    35.00000  120.00000
   49    45    46    35.00000  120.00000
   51    49    50    35.00000  117.00000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
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   89    88    96    97   0.00000  1.0 1.0
   89    88    96    98   0.00000  1.0 1.0
   90    88    96    97   0.00000  1.0 1.0
   90    88    96    98   0.00000  1.0 1.0
   65    59    64    68   1.08500 -1.0 2.0
   65    59    64    69  -0.18600  1.0 3.0
   65    71    75    76   0.41150 -1.0 2.0
   65    71    75    77   0.41150 -1.0 2.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    75  -0.11250  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    75  -0.11250  1.0 3.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    77   0.00000  1.0 1.0
   73    71    75    76   0.00000  1.0 1.0
   73    71    75    77   0.00000  1.0 1.0
   60    58    59    64   7.00000 -1.0 2.0
   60    58    59    65   7.00000 -1.0 2.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    47   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    51   7.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.34400  1.0 1.0
   39    33    37    45   0.09450 -1.0 2.0
   39    33    37    45   0.11100  1.0 3.0
   39    33    52    47   0.43900  1.0 1.0
   39    33    52    47   0.49100 -1.0 2.0
   39    33    52    47   0.28400  1.0 3.0
   39    33    52    53   0.15000  1.0 3.0
   39    33    52    54   0.56750  1.0 1.0
   39    33    52    54  -0.07550 -1.0 2.0
   39    33    52    54   0.20000  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
   37    47    43    44  10.50000 -1.0 2.0
   48    43    47    52   1.00000 -1.0 2.0
   54    58    57    68  10.50000 -1.0 2.0
   57    60    58    59   1.10000 -1.0 2.0
   64    65    59    58   1.10000 -1.0 2.0
   59    68    64    69   1.10000 -1.0 2.0
   74    70    69    64   1.10000 -1.0 2.0
   78    91    74    69   4.00000 -1.0 2.0
   79    80    78    74   4.00000 -1.0 2.0
   83    84    79    78   4.00000 -1.0 2.0
   93    91    83    79   4.00000 -1.0 2.0
   92    74    91    83   1.00000 -1.0 2.0
   99   103   101   102   1.10000 -1.0 2.0
  106   108   102   101   1.10000 -1.0 2.0
  102   116   106   107  10.50000 -1.0 2.0
  117   106   116    99   1.00000 -1.0 2.0
   97    88    96    98  10.50000 -1.0 2.0
   76    71    75    77  10.50000 -1.0 2.0
   37    46    45    49  15.00000 -1.0 2.0
   50    51    49    45  15.00000 -1.0 2.0
END
