* LIGAND DATABASE FILE (OPLS2005)
*
001     119   122    223    340     642
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02036   106.52768   -10.17674
    3     1 S   H    _H1_     3     1.02136    53.59428    91.13911
    4     1 S   H    _H2_     4     1.02080    58.54923  -112.30052
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C9_    36     1.85136    97.20725  -158.16183
   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   _C6_    37     1.54314   108.41658    80.02025
   38    37 S   HC   _H10    38     1.09523   113.14111   -26.41269
   39    33 S   CT   _C10   116     1.52946   106.97768   -44.68169
   40    39 S   HC   _H11   117     1.08765   109.67583   -59.48492
   41    39 S   HC   _H12   118     1.08738   109.70374  -179.44751
   42    39 S   HC   _H13   119     1.08810   109.69203    60.52515
   43    37 S   CD   _C7_    39     1.49393    98.03430    89.91248
   44    37 S   CT   _C5_   109     1.52507   116.14388  -153.83770
   45    44 S   HC   _H8_   110     1.09351   109.18803   -49.34619
   46    44 S   HC   _H9_   111     1.09363   109.19532    68.10970
   47    43 S   NI   _N4_    40     1.29485   119.46710    19.44922
   48    43 S   OH   _O38   107     1.33904   116.89600  -160.41317
   49    48 S   HO   _H43   108     0.97757   112.08091  -180.00000
   50    44 S   CT   _C4_   112     1.49470   111.74111  -170.64705
   51    50 S   HC   _H5_   113     1.09595   109.69492   -58.88992
   52    50 S   HC   _H6_   114     1.09603   110.87390  -178.13250
   53    50 S   HC   _H7_   115     1.09539   110.83571    60.43203
   54    33 S   CT   _C8_    41     1.55144   113.06234  -168.25065
   55    54 S   HC   _H3_    42     1.09852   109.49775   162.15293
   56    54 S   CT   _C11    43     1.52286   117.67587    39.41122
   57    56 S   HC   _H14    44     1.09056   110.20176    43.64421
   58    56 S   HC   _H15    45     1.09141   110.05517   -76.43840
   59    56 S   CD   _C12    46     1.48811   110.24839   163.88984
   60    59 S   CM   _C32    47     1.47210   121.88082   -91.07623
   61    60 S   CM   _C31    48     1.34018   101.33112   179.33559
   62    60 S   CT   _C33   103     1.47655   125.32138    -0.20271
   63    62 S   HC   _H36   104     1.09570   110.61293   -90.60967
   64    62 S   HC   _H37   105     1.09616   110.63255   149.21389
   65    62 S   HC   _H38   106     1.09555   110.65130    29.62949
   66    61 S   CM   _C13    49     1.45173   109.78677     0.06256
   67    61 S   CT   _C34    94     1.49067   127.50981  -179.89913
   68    67 S   HC   _H39    95     1.09639   109.24203  -149.95786
   69    67 S   HC   _H40    96     1.09671   108.30962   -33.79821
   70    59 S   NI   _N5_    50     1.30349   122.72389    88.03291
   71    66 S   CM   _C14    51     1.33795   127.38043   179.84423
   72    71 S   HC   _H16    52     1.08061   122.08948   179.96574
   73    67 S   CT   _C35    97     1.52683   112.85615    86.97996
   74    73 S   HC   _H41    98     1.09791   108.33312   -59.95270
   75    73 S   HC   _H42    99     1.09855   109.64022    56.16415
   76    71 S   C5A  _C15    53     1.45834   118.77222    -0.00000
   77    73 S   CO3  _C36   100     1.53374   116.93660   179.97202
   78    77 S   O2Z  _O37   101     1.26461   114.11751  -178.88408
   79    77 S   O2Z  _O36   102     1.26163   116.53483     1.64282
   80    76 S   C5BC _C16    54     1.34998   128.75623   -90.01922
   81    80 S   C5BC _C17    55     1.45041   105.39435  -179.93147
   82    80 S   CT   _C28    85     1.48353   131.27155     0.12511
   83    82 S   HC   _H32    86     1.09898   109.55701  -135.01869
   84    82 S   HC   _H33    87     1.09892   108.64889   -18.87326
   85    81 S   C5A  _C18    56     1.46548   104.63275    -0.31775
   86    81 S   CT   _C27    81     1.47390   127.16609   178.10143
   87    86 S   HC   _H29    82     1.09728   110.79163  -179.97202
   88    86 S   HC   _H30    83     1.09679   110.77454    60.48034
   89    86 S   HC   _H31    84     1.09687   110.75847   -59.77120
   90    82 S   CT   _C29    88     1.52858   113.13188   101.93590
   91    90 S   HC   _H34    89     1.09789   108.58346   -59.93964
   92    90 S   HC   _H35    90     1.09780   109.55543    56.14136
   93    76 S   NA   _N6_    57     1.41248   119.42423    90.02248
   94    93 S   H    _H17    58     1.01851   124.19073     0.21489
   95    85 S   CT   _C19    59     1.48299   128.45909   179.22444
   96    95 S   HC   _H18    60     1.09695   109.00240    31.41695
   97    95 S   HC   _H19    61     1.09702   108.62796   148.92214
   98    90 S   CO3  _C30    91     1.53303   116.90435   179.87805
   99    98 S   O2Z  _O35    92     1.26549   114.17228  -178.67057
  100    98 S   O2Z  _O34    93     1.26157   116.56098     1.79504
  101    95 S   CT   _C20    62     1.51835   110.86169   -90.02231
  102   101 S   HC   _H4_    63     1.09508   111.00749    40.02486
  103   101 S   CM   _C21    64     1.50548   113.96446   166.54639
  104   103 S   CM   _C22    65     1.34292   112.72877   118.25409
  105   103 S   CT   _C25    74     1.49149   119.75818   -62.94948
  106   105 S   HC   _H24    75     1.09395   108.52258    32.85500
  107   105 S   HC   _H25    76     1.09394   108.19260   150.35303
  108   104 S   C    _C23    66     1.48158   106.69085     0.60909
  109   108 S   O    _O33    67     1.21966   125.01532   179.55721
  110   104 S   CT   _C24    70     1.48231   131.73606   179.95154
  111   110 S   HC   _H21    71     1.09422   110.34305    89.97946
  112   110 S   HC   _H22    72     1.09377   110.38692   -30.11362
  113   110 S   HC   _H23    73     1.09314   110.36286  -149.78296
  114   105 S   CT   _C26    77     1.51460   110.50463   -88.57689
  115   114 S   HC   _H26    78     1.09462   110.53656   -59.80202
  116   114 S   HC   _H27    79     1.09611   110.98731  -179.94766
  117   114 S   HC   _H28    80     1.09447   111.10881    60.42388
  118   101 S   N    _N7_    68     1.43872   111.17914   -80.28262
  119   118 S   H    _H20    69     1.01489   123.80058    61.41307
  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  19   9   9   3   2   1  10   9   5   4   8   2
   1   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    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    54    55    56    44    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    47    54    55    56    57    58    59    48    44    45    46    50    39    40    41    42  
   35    36  
   36  
    0  
   38    43    47    54    55    56    48    49    44    45    46    50    51    52    53    39    40    41    42  
   43    47    54    48    44    45    46    50    39  
   40    41    42    43    44    47    54    55    56  
   41    42    54  
   42    54  
   54  
   47    54    55    56    48    49    44    45    46    50  
   45    46    50    51    52    53    47    48    54  
   46    50    51    52    53  
   50    51    52    53  
   54    55    56    57    58    59    48    49  
   49    54  
    0  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    58    59    60    70  
   56    57    58    59  
   57    58    59    60    61    66    70    62  
   58    59    60    70  
   59    60    70  
   60    61    66    70    71    67    62    63    64    65  
   61    66    70    71    67    68    69    73    62    63    64    65  
   66    70    71    72    76    67    68    69    73    74    75    77    62    63    64    65  
   63    64    65    66    67    70  
   64    65  
   65  
    0  
   70    71    72    76    80    93    67    68    69    73  
   68    69    73    74    75    77    78    79    70    71  
   69    73    74    75    77  
   73    74    75    77  
   71    72    76  
   72    76    80    81    85    93    94    82  
   76    80    93  
   74    75    77    78    79  
   75    77    78    79  
   77    78    79  
   80    81    85    93    94    95    86    82    83    84    90  
   78    79  
   79  
    0  
   81    85    93    94    95    86    87    88    89    82    83    84    90    91    92    98  
   85    93    94    95    96    97   101    86    87    88    89    82    83    84    90  
   83    84    90    91    92    98    99   100    85    86    93  
   84    90    91    92    98  
   90    91    92    98  
   93    94    95    96    97   101   102   103   118    86    87    88    89  
   87    88    89    93    95  
   88    89  
   89  
    0  
   91    92    98    99   100  
   92    98    99   100  
   98    99   100  
   94    95    96    97   101  
   95  
   96    97   101   102   103   104   108   118   119   105  
   97   101   102   103   118  
  101   102   103   118  
   99   100  
  100  
    0  
  102   103   104   108   109   118   119   110   105   106   107   114  
  103   104   108   118   119   105  
  104   108   109   118   119   110   111   112   113   105   106   107   114   115   116   117  
  108   109   118   119   110   111   112   113   105   106   107   114  
  106   107   114   115   116   117   108   110   118  
  107   114   115   116   117  
  114   115   116   117  
  109   118   119   110   111   112   113  
  118   119   110  
  111   112   113   118  
  112   113  
  113  
    0  
  115   116   117  
  116   117  
  117  
    0  
  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  -0.023900   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   0.438600   2.0020   1.7750   0.023028004  -0.852763146
   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   3.2800   0.1700  -0.609900   1.8540   1.6400   0.005000000   0.000000000
   48   3.1200   0.1700  -0.503000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.160200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.083900   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   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660  -0.180000   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   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   94   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  101   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  104   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  105   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  109   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  118   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  119   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    54   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   270.000  1.508
   37    44   268.000  1.529
   43    47   500.000  1.261
   43    48   440.000  1.374
   47    54   315.000  1.435
   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   270.000  1.508
   59    60   320.000  1.464
   59    70   500.000  1.261
   60    61   549.000  1.340
   60    62   317.000  1.510
   61    66   380.000  1.444
   61    67   317.000  1.510
   66    70   405.000  1.380
   66    71   549.000  1.340
   71    72   340.000  1.080
   71    76   375.000  1.423
   76    80   546.000  1.367
   76    93   427.000  1.381
   80    81   469.000  1.424
   80    82   285.000  1.502
   81    85   546.000  1.367
   81    86   285.000  1.502
   85    93   427.000  1.381
   85    95   295.000  1.489
   93    94   434.000  1.010
   95    96   340.000  1.090
   95    97   340.000  1.090
   95   101   268.000  1.529
  101   102   340.000  1.090
  101   103   317.000  1.510
  101   118   337.000  1.449
  103   104   549.000  1.340
  103   105   317.000  1.510
  104   108   410.000  1.444
  104   110   317.000  1.510
  108   109   570.000  1.229
  108   118   490.000  1.335
  118   119   434.000  1.010
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   114   268.000  1.529
  114   115   340.000  1.090
  114   116   340.000  1.090
  114   117   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    98   317.000  1.522
   98    99   656.000  1.250
   98   100   656.000  1.250
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   317.000  1.522
   77    78   656.000  1.250
   77    79   656.000  1.250
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   48    49   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   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    54    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    70.00000  111.76100
   33    37    44    58.35000  112.70000
   33    54    47    80.00000  110.18800
   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    42    37.50000  110.70000
   37    43    47    65.00000  122.10100
   37    43    48    85.00000  110.80600
   37    44    45    37.50000  110.70000
   37    44    46    37.50000  110.70000
   37    44    50    58.35000  112.70000
   43    37    38    45.00000  109.49600
   43    47    54    70.00000  113.48600
   43    48    49    70.00000  105.55000
   47    54    55    50.00000  110.29200
   47    54    56    80.00000  110.18800
   54    33    37    58.35000  112.70000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    59    70.00000  111.76100
   56    54    55    37.50000  110.70000
   56    59    60    65.00000  117.24000
   56    59    70    65.00000  122.10100
   58    56    57    33.00000  107.80000
   59    56    57    45.00000  109.49600
   59    56    58    45.00000  109.49600
   59    60    61    60.00000  120.31500
   59    60    62    65.00000  117.22000
   59    70    66    75.00000  115.77100
   60    61    66    70.00000  123.01800
   60    61    67    70.00000  124.00000
   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  120.83400
   61    66    71    70.00000  123.01800
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    73    70.00000  112.02700
   66    71    72    35.00000  120.00000
   66    71    76    55.00000  128.24000
   70    59    60    70.00000  121.86000
   71    66    70    70.00000  120.83400
   71    76    80    50.00000  133.16000
   71    76    93    70.00000  120.38000
   76    71    72    40.00000  117.26300
   76    80    81    70.00000  107.30000
   76    80    82    60.00000  130.00000
   76    93    85    70.00000  109.80000
   76    93    94    35.00000  120.00000
   80    81    85    70.00000  107.30000
   80    81    86    60.00000  130.00000
   80    82    83    35.00000  109.50000
   80    82    84    35.00000  109.50000
   80    82    90    70.00000  112.17500
   81    85    93    70.00000  107.70000
   81    85    95    50.00000  133.50000
   81    86    87    35.00000  109.50000
   81    86    88    35.00000  109.50000
   81    86    89    35.00000  109.50000
   85    93    94    35.00000  120.00000
   85    95    96    45.00000  110.47400
   85    95    97    45.00000  110.47400
   85    95   101    70.00000  113.44400
   93    76    80    70.00000  107.70000
   95    85    93    65.00000  122.56900
   95   101   102    37.50000  110.70000
   95   101   103    70.00000  112.02700
   95   101   118    70.00000  110.72300
   97    95    96    33.00000  107.80000
  101    95    96    37.50000  110.70000
  101    95    97    37.50000  110.70000
  101   103   104    70.00000  124.00000
  101   103   105    65.00000  117.92700
  101   118   108    50.00000  121.90000
  101   118   119    38.00000  118.40000
  103   101   102    35.00000  109.50000
  103   104   108    70.00000  118.70000
  103   104   110    70.00000  124.00000
  103   105   106    35.00000  109.50000
  103   105   107    35.00000  109.50000
  103   105   114    70.00000  112.02700
  104   108   109    80.00000  125.30000
  104   108   118    80.00000  111.56200
  104   110   111    35.00000  109.50000
  104   110   112    35.00000  109.50000
  104   110   113    35.00000  109.50000
  108   118   119    35.00000  119.80000
  118   101   102    35.00000  109.50000
  118   101   103    75.00000  110.78400
  118   108   109    80.00000  122.90000
  110   104   108    70.00000  119.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
  105   103   104    70.00000  124.00000
  105   114   115    37.50000  110.70000
  105   114   116    37.50000  110.70000
  105   114   117    37.50000  110.70000
  107   105   106    33.00000  107.80000
  114   105   106    37.50000  110.70000
  114   105   107    37.50000  110.70000
  116   114   115    33.00000  107.80000
  117   114   115    33.00000  107.80000
  117   114   116    33.00000  107.80000
   86    81    85    60.00000  130.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   82    80    81    60.00000  130.00000
   82    90    91    37.50000  110.70000
   82    90    92    37.50000  110.70000
   82    90    98    70.00000  109.69300
   84    82    83    33.00000  107.80000
   90    82    83    37.50000  110.70000
   90    82    84    37.50000  110.70000
   90    98    99    70.00000  117.00000
   90    98   100    70.00000  117.00000
   92    90    91    33.00000  107.80000
   98    90    91    35.00000  109.50000
   98    90    92    35.00000  109.50000
  100    98    99    80.00000  126.00000
   67    61    66    70.00000  124.00000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    77    70.00000  109.69300
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    77    78    70.00000  117.00000
   73    77    79    70.00000  117.00000
   75    73    74    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    35.00000  109.50000
   79    77    78    80.00000  126.00000
   62    60    61    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   48    43    47    90.00000  118.59000
   44    37    38    37.50000  110.70000
   44    37    43    70.00000  111.76100
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    54    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
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   86    81    85    95   3.62500 -1.0 2.0
   82    80    81    85   3.62500 -1.0 2.0
   82    80    81    86   3.62500 -1.0 2.0
   82    90    98    99   0.41150 -1.0 2.0
   82    90    98   100   0.41150 -1.0 2.0
   83    82    90    91   0.15000  1.0 3.0
   83    82    90    92   0.15000  1.0 3.0
   83    82    90    98  -0.11250  1.0 3.0
   84    82    90    91   0.15000  1.0 3.0
   84    82    90    92   0.15000  1.0 3.0
   84    82    90    98  -0.11250  1.0 3.0
   91    90    98    99   0.00000  1.0 1.0
   91    90    98   100   0.00000  1.0 1.0
   92    90    98    99   0.00000  1.0 1.0
   92    90    98   100   0.00000  1.0 1.0
   67    61    66    70   1.08500 -1.0 2.0
   67    61    66    71  -0.18600  1.0 3.0
   67    73    77    78   0.41150 -1.0 2.0
   67    73    77    79   0.41150 -1.0 2.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    77  -0.11250  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    77  -0.11250  1.0 3.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    79   0.00000  1.0 1.0
   75    73    77    78   0.00000  1.0 1.0
   75    73    77    79   0.00000  1.0 1.0
   62    60    61    66   7.00000 -1.0 2.0
   62    60    61    67   7.00000 -1.0 2.0
   48    43    47    54   6.00000 -1.0 2.0
   44    37    43    47   0.00000  1.0 1.0
   44    37    43    48   0.00000  1.0 1.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    53   0.15000  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    52   0.15000  1.0 3.0
   46    44    50    53   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.34400  1.0 1.0
   39    33    37    43   0.09450 -1.0 2.0
   39    33    37    43   0.11100  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    47   0.56750  1.0 1.0
   39    33    54    47  -0.07550 -1.0 2.0
   39    33    54    47   0.20000  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
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    48    43    47  10.50000 -1.0 2.0
   56    60    59    70  10.50000 -1.0 2.0
   59    62    60    61   1.10000 -1.0 2.0
   66    67    61    60   1.10000 -1.0 2.0
   61    70    66    71   1.10000 -1.0 2.0
   76    72    71    66   1.10000 -1.0 2.0
   80    93    76    71   4.00000 -1.0 2.0
   81    82    80    76   4.00000 -1.0 2.0
   85    86    81    80   4.00000 -1.0 2.0
   95    93    85    81   4.00000 -1.0 2.0
   94    76    93    85   1.00000 -1.0 2.0
  101   105   103   104   1.10000 -1.0 2.0
  108   110   104   103   1.10000 -1.0 2.0
  104   118   108   109  10.50000 -1.0 2.0
  119   108   118   101   1.00000 -1.0 2.0
   99    90    98   100  10.50000 -1.0 2.0
   78    73    77    79  10.50000 -1.0 2.0
END
