* LIGAND DATABASE FILE (OPLS2005)
*
001     119   122    223    347     646
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02039   103.90013     8.22602
    3     1 S   H    _H1_     3     1.02101    43.21265   110.88915
    4     1 S   H    _H2_     4     1.02138    70.03554   -96.88282
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10104
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C6_    36     1.85230    97.79606  -178.15263
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CT   _C7_    37     1.55748   107.98583   -60.02692
   38    37 S   HC   _H3_    38     1.06850   112.61724   -26.64199
   39    33 S   CT   _C5_   113     1.53008   106.90183   175.79155
   40    39 S   HC   _H9_   114     1.08847   108.38227  -178.83366
   41    39 S   HC   _H10   115     1.08795   108.34965   -61.47797
   42    37 S   C    _C8_    39     1.52312   102.67453    88.45605
   43    42 S   O    _O33    40     1.22136   125.31199  -163.10607
   44    37 S   CT   _C36   109     1.52720   115.42749  -153.75988
   45    44 S   HC   _H41   110     1.09139   110.11263   -51.41458
   46    44 S   HC   _H42   111     1.09093   110.11167  -171.46528
   47    44 S   HC   _H43   112     1.09117   110.07090    68.51180
   48    39 S   CT   _C4_   116     1.48784   111.17070    59.81178
   49    48 S   HC   _H6_   117     1.09572   109.10513   -59.79044
   50    48 S   HC   _H7_   118     1.09569   111.21242  -178.88601
   51    48 S   HC   _H8_   119     1.09539   111.14324    59.31093
   52    42 S   N    _N4_    41     1.39030   107.66282    19.07084
   53    52 S   H    _H11    42     1.01309   123.33293  -178.42530
   54    33 S   CT   _C9_    43     1.54512   112.82048    52.41007
   55    54 S   HC   _H4_    44     1.13035   109.50864   163.55267
   56    54 S   CT   _C10    45     1.52245   118.11243    40.54306
   57    56 S   HC   _H12    46     1.09447   109.42128    42.16211
   58    56 S   HC   _H13    47     1.09531   109.30568   -73.93432
   59    56 S   C5A  _C11    48     1.50329   111.60443   164.18826
   60    59 S   C5BC _C12    49     1.37702   131.12166   -90.03390
   61    60 S   C5BC _C13    50     1.41627   107.39858  -179.98022
   62    60 S   CT   _C35   105     1.47780   126.22273    -0.03956
   63    62 S   HC   _H38   106     1.10130   111.08700   -89.88290
   64    62 S   HC   _H39   107     1.10301   111.95137    30.58698
   65    62 S   HC   _H40   108     1.10259   111.93470   149.56867
   66    61 S   C5A  _C14    51     1.37763   107.36994     0.01978
   67    61 S   CT   _C32    96     1.47776   126.53149   179.92867
   68    67 S   HC   _H34    97     1.10645   110.63290    45.07063
   69    67 S   HC   _H35    98     1.10578   110.74376   160.49288
   70    59 S   NA   _N5_    52     1.37094   121.04140    90.03569
   71    70 S   H    _H14    53     1.01062   125.19798    -0.02798
   72    66 S   CT   _C15    54     1.47527   131.06775   179.90935
   73    72 S   HC   _H15    55     1.11006   111.27168   134.96100
   74    72 S   HC   _H16    56     1.11068   111.29174    20.84864
   75    67 S   CT   _C33    99     1.53582   113.17890   -77.17217
   76    75 S   HC   _H36   100     1.09805   109.26002    59.97825
   77    75 S   HC   _H37   101     1.09733   109.30458   -56.53093
   78    72 S   C5A  _C16    57     1.52170   114.53703  -102.07475
   79    75 S   CO3  _C34   102     1.53186   116.10534  -178.34105
   80    79 S   O2Z  _O38   103     1.26478   114.04906   177.38798
   81    79 S   O2Z  _O37   104     1.26206   116.67988    -2.69065
   82    78 S   C5BC _C17    58     1.37703   131.09500   100.32233
   83    82 S   C5BC _C18    59     1.41588   107.42066   179.97202
   84    82 S   CT   _C29    87     1.47765   126.11710     0.07402
   85    84 S   HC   _H30    88     1.10592   110.70135  -135.05738
   86    84 S   HC   _H31    89     1.10570   110.71349   -19.58039
   87    83 S   C5A  _C19    60     1.37766   107.36287     0.08847
   88    83 S   CT   _C28    83     1.47803   126.45116  -179.91377
   89    88 S   HC   _H27    84     1.10130   111.02696    90.02751
   90    88 S   HC   _H28    85     1.10341   111.97850  -149.41866
   91    88 S   HC   _H29    86     1.10312   111.91779   -30.48269
   92    84 S   CT   _C30    90     1.53604   113.19007   102.68396
   93    92 S   HC   _H32    91     1.09787   109.22160    59.95921
   94    92 S   HC   _H33    92     1.09749   109.26511   -56.46037
   95    78 S   NA   _N6_    61     1.37113   121.09163   -79.61416
   96    95 S   H    _H17    62     1.01064   125.17017    -0.11364
   97    87 S   CT   _C20    63     1.47585   131.11624  -179.94065
   98    97 S   HC   _H18    64     1.10803   111.18531    31.94004
   99    97 S   HC   _H19    65     1.10741   111.16482   147.94594
  100    92 S   CO3  _C31    93     1.53169   116.15424  -178.29131
  101   100 S   O2Z  _O36    94     1.26508   114.08292   177.37497
  102   100 S   O2Z  _O35    95     1.26197   116.63856    -2.68817
  103    97 S   CT   _C21    66     1.53236   112.91577   -90.08200
  104   103 S   HC   _H5_    67     1.09493   110.99723   179.98022
  105   103 S   CM   _C22    68     1.50568   113.98427   -53.40172
  106   105 S   CM   _C23    69     1.34287   112.73806   118.23604
  107   105 S   CT   _C27    79     1.49370   119.43960   -63.04889
  108   107 S   HC   _H24    80     1.08945   109.85130   -88.49588
  109   107 S   HC   _H25    81     1.09060   109.82751   151.25337
  110   107 S   HC   _H26    82     1.09094   109.79530    31.64146
  111   106 S   C    _C24    70     1.48354   106.68640     0.56475
  112   111 S   O    _O34    71     1.22003   125.39516   179.54158
  113   106 S   CM   _C25    74     1.42869   130.07568   179.83214
  114   113 S   HC   _H21    75     1.09824   120.29978   139.99344
  115   103 S   N    _N7_    72     1.43933   111.12316    59.74041
  116   115 S   H    _H20    73     1.01509   123.74708    61.42152
  117   113 S   CM   _C26    76     1.35024   120.03254   -40.01877
  118   117 S   HC   _H22    77     1.08495   121.04167   180.00000
  119   117 S   HC   _H23    78     1.08451   121.33924    -0.08623
  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
  23   2   1   1  16   9  12   6   5  10   4   5   2   1   1   4
   2   1   1   7   3   7   4   9   4   3  11  13  18   6   2   1
   1  12  10   5   4   5   1   9   4   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  12  13   6   2   1   1   6   3
   5   3   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    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    52    54    55    56    44    39    40    41    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    52    53    54    55    56    57    58    59    44    45    46    47    39    40    41    48    49    50    51  
   35    36  
   36  
    0  
   38    42    43    52    53    54    55    56    44    45    46    47    39    40    41    48  
   42    43    52    54    44    45    46    47    39  
   40    41    48    49    50    51    42    44    52    54    55    56  
   41    48    49    50    51    54  
   48    49    50    51    54  
   43    52    53    54    55    56    44    45    46    47  
   52    53    54    44  
   45    46    47    52    54  
   46    47  
   47  
    0  
   49    50    51    54  
   50    51  
   51  
    0  
   53    54    55    56    57    58    59  
   54    55    56  
   55    56    57    58    59    60    70  
   56    57    58    59  
   57    58    59    60    61    66    70    71    62  
   58    59    60    70  
   59    60    70  
   60    61    66    70    71    72    67    62    63    64    65  
   61    66    70    71    72    67    68    69    75    62    63    64    65  
   66    70    71    72    73    74    78    67    68    69    75    76    77    79    62    63    64    65  
   63    64    65    66    67    70  
   64    65  
   65  
    0  
   70    71    72    73    74    78    82    95    67    68    69    75  
   68    69    75    76    77    79    80    81    70    72  
   69    75    76    77    79  
   75    76    77    79  
   71    72    73    74    78  
   72  
   73    74    78    82    83    87    95    96    84  
   74    78    82    95  
   78    82    95  
   76    77    79    80    81  
   77    79    80    81  
   79    80    81  
   82    83    87    95    96    97    88    84    85    86    92  
   80    81  
   81  
    0  
   83    87    95    96    97    88    89    90    91    84    85    86    92    93    94   100  
   87    95    96    97    98    99   103    88    89    90    91    84    85    86    92  
   85    86    92    93    94   100   101   102    87    88    95  
   86    92    93    94   100  
   92    93    94   100  
   95    96    97    98    99   103   104   105   115    88    89    90    91  
   89    90    91    95    97  
   90    91  
   91  
    0  
   93    94   100   101   102  
   94   100   101   102  
  100   101   102  
   96    97    98    99   103  
   97  
   98    99   103   104   105   106   111   115   116   107  
   99   103   104   105   115  
  103   104   105   115  
  101   102  
  102  
    0  
  104   105   106   111   112   115   116   113   107   108   109   110  
  105   106   111   115   116   107  
  106   111   112   115   116   113   114   117   107   108   109   110  
  111   112   115   116   113   114   117   118   119   107   108   109   110  
  108   109   110   111   113   115  
  109   110  
  110  
    0  
  112   115   116   113   114   117  
  115   116   113  
  114   117   118   119   115  
  117   118   119  
  116  
    0  
  118   119  
  119  
    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  -0.120000   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.005000   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   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   71   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   82   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   88   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   96   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.5000   0.0660   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  103   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  106   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  112   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  113   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  114   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  115   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  116   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  117   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  118   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  119   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    54   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   317.000  1.522
   37    44   268.000  1.529
   42    43   570.000  1.229
   42    52   490.000  1.335
   52    53   434.000  1.010
   52    54   337.000  1.449
   54    55   340.000  1.090
   54    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   295.000  1.489
   59    60   546.000  1.367
   59    70   427.000  1.381
   60    61   469.000  1.424
   60    62   285.000  1.502
   61    66   546.000  1.367
   61    67   285.000  1.502
   66    70   427.000  1.381
   66    72   295.000  1.489
   70    71   434.000  1.010
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   295.000  1.489
   78    82   546.000  1.367
   78    95   427.000  1.381
   82    83   469.000  1.424
   82    84   285.000  1.502
   83    87   546.000  1.367
   83    88   285.000  1.502
   87    95   427.000  1.381
   87    97   295.000  1.489
   95    96   434.000  1.010
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   103   268.000  1.529
  103   104   340.000  1.090
  103   105   317.000  1.510
  103   115   337.000  1.449
  105   106   549.000  1.340
  105   107   317.000  1.510
  106   111   410.000  1.444
  106   113   380.000  1.444
  111   112   570.000  1.229
  111   115   490.000  1.335
  115   116   434.000  1.010
  113   114   340.000  1.080
  113   117   549.000  1.340
  117   118   340.000  1.080
  117   119   340.000  1.080
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92   100   317.000  1.522
  100   101   656.000  1.250
  100   102   656.000  1.250
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    79   317.000  1.522
   79    80   656.000  1.250
   79    81   656.000  1.250
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    54    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    37    44    58.35000  112.70000
   33    54    52    70.00000  110.72300
   33    54    55    37.50000  110.70000
   33    54    56    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    48    58.35000  112.70000
   37    42    43    80.00000  120.40000
   37    42    52    70.00000  116.60000
   37    44    45    37.50000  110.70000
   37    44    46    37.50000  110.70000
   37    44    47    37.50000  110.70000
   42    37    38    35.00000  109.50000
   42    52    53    35.00000  119.80000
   42    52    54    50.00000  121.90000
   52    42    43    80.00000  122.90000
   52    54    55    35.00000  109.50000
   52    54    56    70.00000  110.72300
   54    33    37    58.35000  112.70000
   54    52    53    38.00000  118.40000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    59    70.00000  113.44400
   56    54    55    37.50000  110.70000
   56    59    60    50.00000  133.50000
   56    59    70    65.00000  122.56900
   58    56    57    33.00000  107.80000
   59    56    57    45.00000  110.47400
   59    56    58    45.00000  110.47400
   59    60    61    70.00000  107.30000
   59    60    62    60.00000  130.00000
   59    70    66    70.00000  109.80000
   59    70    71    35.00000  120.00000
   60    61    66    70.00000  107.30000
   60    61    67    60.00000  130.00000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    35.00000  109.50000
   61    66    70    70.00000  107.70000
   61    66    72    50.00000  133.50000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    75    70.00000  112.17500
   66    70    71    35.00000  120.00000
   66    72    73    45.00000  110.47400
   66    72    74    45.00000  110.47400
   66    72    78    70.00000  112.04700
   70    59    60    70.00000  107.70000
   72    66    70    65.00000  122.56900
   72    78    82    50.00000  133.50000
   72    78    95    65.00000  122.56900
   74    72    73    33.00000  107.80000
   78    72    73    45.00000  110.47400
   78    72    74    45.00000  110.47400
   78    82    83    70.00000  107.30000
   78    82    84    60.00000  130.00000
   78    95    87    70.00000  109.80000
   78    95    96    35.00000  120.00000
   82    83    87    70.00000  107.30000
   82    83    88    60.00000  130.00000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    92    70.00000  112.17500
   83    87    95    70.00000  107.70000
   83    87    97    50.00000  133.50000
   83    88    89    35.00000  109.50000
   83    88    90    35.00000  109.50000
   83    88    91    35.00000  109.50000
   87    95    96    35.00000  120.00000
   87    97    98    45.00000  110.47400
   87    97    99    45.00000  110.47400
   87    97   103    70.00000  113.44400
   95    78    82    70.00000  107.70000
   97    87    95    65.00000  122.56900
   97   103   104    37.50000  110.70000
   97   103   105    70.00000  112.02700
   97   103   115    70.00000  110.72300
   99    97    98    33.00000  107.80000
  103    97    98    37.50000  110.70000
  103    97    99    37.50000  110.70000
  103   105   106    70.00000  124.00000
  103   105   107    65.00000  117.92700
  103   115   111    50.00000  121.90000
  103   115   116    38.00000  118.40000
  105   103   104    35.00000  109.50000
  105   106   111    70.00000  118.70000
  105   106   113    70.00000  123.01800
  105   107   108    35.00000  109.50000
  105   107   109    35.00000  109.50000
  105   107   110    35.00000  109.50000
  106   111   112    80.00000  125.30000
  106   111   115    80.00000  111.56200
  106   113   114    35.00000  120.00000
  106   113   117    70.00000  123.01800
  111   115   116    35.00000  119.80000
  115   103   104    35.00000  109.50000
  115   103   105    75.00000  110.78400
  115   111   112    80.00000  122.90000
  113   106   111    70.00000  118.70000
  113   117   118    35.00000  120.00000
  113   117   119    35.00000  120.00000
  117   113   114    35.00000  120.00000
  119   117   118    35.00000  117.00000
  107   105   106    70.00000  124.00000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   88    83    87    60.00000  130.00000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   84    82    83    60.00000  130.00000
   84    92    93    37.50000  110.70000
   84    92    94    37.50000  110.70000
   84    92   100    70.00000  109.69300
   86    84    85    33.00000  107.80000
   92    84    85    37.50000  110.70000
   92    84    86    37.50000  110.70000
   92   100   101    70.00000  117.00000
   92   100   102    70.00000  117.00000
   94    92    93    33.00000  107.80000
  100    92    93    35.00000  109.50000
  100    92    94    35.00000  109.50000
  102   100   101    80.00000  126.00000
   67    61    66    60.00000  130.00000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    79    70.00000  109.69300
   69    67    68    33.00000  107.80000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    79    80    70.00000  117.00000
   75    79    81    70.00000  117.00000
   77    75    76    33.00000  107.80000
   79    75    76    35.00000  109.50000
   79    75    77    35.00000  109.50000
   81    79    80    80.00000  126.00000
   62    60    61    60.00000  130.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    42    63.00000  111.10000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    54    58.35000  112.70000
   39    48    49    37.50000  110.70000
   39    48    50    37.50000  110.70000
   39    48    51    37.50000  110.70000
   41    39    40    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    41    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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
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   85    84    92    94   0.15000  1.0 3.0
   85    84    92   100  -0.11250  1.0 3.0
   86    84    92    93   0.15000  1.0 3.0
   86    84    92    94   0.15000  1.0 3.0
   86    84    92   100  -0.11250  1.0 3.0
   93    92   100   101   0.00000  1.0 1.0
   93    92   100   102   0.00000  1.0 1.0
   94    92   100   101   0.00000  1.0 1.0
   94    92   100   102   0.00000  1.0 1.0
   67    61    66    70   3.62500 -1.0 2.0
   67    61    66    72   3.62500 -1.0 2.0
   67    75    79    80   0.41150 -1.0 2.0
   67    75    79    81   0.41150 -1.0 2.0
   68    67    75    76   0.15000  1.0 3.0
   68    67    75    77   0.15000  1.0 3.0
   68    67    75    79  -0.11250  1.0 3.0
   69    67    75    76   0.15000  1.0 3.0
   69    67    75    77   0.15000  1.0 3.0
   69    67    75    79  -0.11250  1.0 3.0
   76    75    79    80   0.00000  1.0 1.0
   76    75    79    81   0.00000  1.0 1.0
   77    75    79    80   0.00000  1.0 1.0
   77    75    79    81   0.00000  1.0 1.0
   62    60    61    66   3.62500 -1.0 2.0
   62    60    61    67   3.62500 -1.0 2.0
   44    37    42    43   0.30150 -1.0 2.0
   44    37    42    52   1.39750  1.0 1.0
   44    37    42    52  -0.07950 -1.0 2.0
   44    37    42    52  -0.18750  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42  -0.95700  1.0 1.0
   39    33    37    42  -0.18200 -1.0 2.0
   39    33    37    42   0.29450  1.0 3.0
   39    33    37    44   0.56750  1.0 1.0
   39    33    37    44  -0.07550 -1.0 2.0
   39    33    37    44   0.20000  1.0 3.0
   39    33    54    52   0.43900  1.0 1.0
   39    33    54    52   0.49100 -1.0 2.0
   39    33    54    52   0.28400  1.0 3.0
   39    33    54    55   0.15000  1.0 3.0
   39    33    54    56   0.56750  1.0 1.0
   39    33    54    56  -0.07550 -1.0 2.0
   39    33    54    56   0.20000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   40    39    48    50   0.15000  1.0 3.0
   40    39    48    51   0.15000  1.0 3.0
   41    39    48    49   0.15000  1.0 3.0
   41    39    48    50   0.15000  1.0 3.0
   41    39    48    51   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    52    42    43  10.50000 -1.0 2.0
   53    42    52    54   1.00000 -1.0 2.0
   60    70    59    56   4.00000 -1.0 2.0
   61    62    60    59   4.00000 -1.0 2.0
   66    67    61    60   4.00000 -1.0 2.0
   72    70    66    61   4.00000 -1.0 2.0
   71    59    70    66   1.00000 -1.0 2.0
   82    95    78    72   4.00000 -1.0 2.0
   83    84    82    78   4.00000 -1.0 2.0
   87    88    83    82   4.00000 -1.0 2.0
   97    95    87    83   4.00000 -1.0 2.0
   96    78    95    87   1.00000 -1.0 2.0
  103   107   105   106   1.10000 -1.0 2.0
  111   113   106   105   1.10000 -1.0 2.0
  106   115   111   112  10.50000 -1.0 2.0
  116   111   115   103   1.00000 -1.0 2.0
  106   114   113   117  15.00000 -1.0 2.0
  118   119   117   113  15.00000 -1.0 2.0
  101    92   100   102  10.50000 -1.0 2.0
   80    75    79    81  10.50000 -1.0 2.0
END
