* LIGAND DATABASE FILE (OPLS2005)
*
001     119   123    222    342     633
    1     0 S   NP   _N1_     1    30.18613    95.28616   -17.41042
    2     1 S   H    _HN1     2     1.02898   116.08794    30.55065
    3     1 S   H    _H1_     3     1.03088   120.82795   162.34929
    4     1 S   H    _H2_     4     1.02714    22.20762   104.80537
    5     1 S   CT   _CA1     5     1.50291    89.61573   -83.96764
    6     5 S   HC   _HA1     6     1.09556   105.39055    56.58446
    7     5 S   CO3  _C1_     7     1.53674   112.88202   -64.02271
    8     7 S   O2Z  _O11     8     1.26347   115.24903   -41.76419
    9     7 S   O2Z  _O12     9     1.26293   114.86714   137.48133
   10     5 S   CT   _CB1    10     1.52677   106.63779   174.31735
   11    10 S   HC   HB11    11     1.09837   108.99809   -53.94834
   12    10 S   HC   HB12    12     1.09676   109.27806    62.01970
   13    10 S   CT   _CG1    13     1.52975   114.45347  -175.70112
   14    13 S   HC   HG11    14     1.09543   111.20858   -73.17461
   15    13 S   HC   HG12    15     1.09589   110.39064    46.66247
   16    13 S   C    _CD1    16     1.51777   110.41036   166.07564
   17    16 S   O    _OE1    17     1.22855   121.66560  -120.35791
   18    16 S   N    _N2_    18     1.38240   112.95153    59.27534
   19    18 S   H    _HN2    19     1.01541   119.24605     7.86277
   20    18 S   CT1  _CA2    20     1.45657   123.78538  -174.22369
   21    20 S   HC   _HA2    21     1.09686   109.44923     3.78186
   22    20 S   C    _C2_    22     1.52754   106.93504  -113.68261
   23    22 S   O    _O2_    23     1.22985   123.03338   -27.13052
   24    20 S   CT   _CB2    32     1.53378   111.36895   126.71908
   25    24 S   HC   HB21    33     1.09494   109.72391    52.64762
   26    24 S   HC   HB22    34     1.09430   109.53432   171.20038
   27    22 S   N    _N3_    24     1.38502   112.57731   155.37457
   28    27 S   H    _HN3    25     1.01651   120.27426    -1.30866
   29    24 S   S    _SG2    35     1.83447   111.04288   -68.84988
   30    27 S   CT   _CA3    26     1.45310   122.43993   178.38142
   31    30 S   HC   HA31    27     1.09555   107.36198   -64.60790
   32    30 S   HC   HA32    28     1.09559   108.07801    51.70331
   33    29 S   CT   _C35    36     1.84598   101.68006   169.36100
   34    33 S   OM   _O38    37     1.31802   111.11875   172.43275
   35    30 S   CO3  _C3_    29     1.52806   114.30700   173.55923
   36    35 S   O2Z  _O31    30     1.26315   116.08969    -8.16650
   37    35 S   O2Z  _O32    31     1.26449   114.44674   171.90277
   38    33 S   C5BC _C13    38     1.50134   110.25608    51.28212
   39    33 S   CM   _C32    85     1.61384   113.34508   -62.99406
   40    38 S   C5BC _C12    39     1.41517   141.24731    52.28131
   41    39 S   CMA  _C33    86     1.37067   126.17047   -44.69168
   42    41 S   OM   _O36    87     1.27019   125.83520   -14.36849
   43    40 S   C5A  _C11    40     1.39787   105.66292  -175.03118
   44    41 S   OS   _O37    88     1.41193   113.02446   165.75613
   45    40 S   CT   _C36   116     1.48298   127.30387     3.15697
   46    45 S   HC   _H34   117     1.09449   110.81565   138.22783
   47    45 S   HC   _H35   118     1.09461   110.26006  -101.61026
   48    45 S   HC   _H36   119     1.09403   111.55501    18.59688
   49    43 S   NA   _N5_    41     1.38694   108.51416    -0.51396
   50    49 S   H    _H14    42     1.01206   124.29715   176.73307
   51    44 S   CT   _C34    89     1.42738   112.76440  -121.22242
   52    51 S   HC   _H31    90     1.09393   107.78750   169.49185
   53    51 S   HC   _H32    91     1.09566   111.23602    51.13225
   54    51 S   HC   _H33    92     1.09450   110.95670   -72.52777
   55    43 S   CT   _C10    93     1.49577   131.00087   178.71732
   56    55 S   HC   _H12    94     1.09619   109.12911    39.75628
   57    55 S   HC   _H13    95     1.09777   110.04437   155.22256
   58    38 S   C5A  _C14    43     1.36762   110.74688  -124.92485
   59    55 S   C5A  _C9_    96     1.49543   112.46089   -82.92937
   60    58 S   CM   _C15    44     1.41637   114.57440    -3.97163
   61    59 S   C5BC _C6_    97     1.38597   131.51654   112.86750
   62    60 S   CM   _C16    45     1.35366   123.40210  -157.08790
   63    61 S   C5BC _C7_    98     1.43842   107.15965   179.13793
   64    61 S   CT   _C5_   109     1.49715   126.62997    -0.45111
   65    64 S   HC   _H9_   110     1.09622   109.88547  -150.82201
   66    64 S   HC   _H10   111     1.09549   109.92749   -34.51856
   67    62 S   CT   _C17    46     1.52874   127.13894    -7.12343
   68    67 S   HC   _H3_    47     1.09427   111.78831    35.23914
   69    63 S   C5A  _C8_    99     1.38857   107.31309     0.53959
   70    63 S   CT   _C38   105     1.48986   125.15142  -179.43698
   71    70 S   HC   _H38   106     1.09271   112.48927   175.65932
   72    70 S   HC   _H39   107     1.09430   110.31338   -63.72429
   73    70 S   HC   _H40   108     1.09494   110.23084    55.75819
   74    64 S   CT   _C4_   112     1.52112   112.34443    87.35627
   75    74 S   HC   _H6_   113     1.09524   111.23260   -60.28499
   76    74 S   HC   _H7_   114     1.09454   110.26886   179.83331
   77    74 S   HC   _H8_   115     1.09516   111.23620    59.91581
   78    67 S   CT   _C18    48     1.54234   100.87291   149.27048
   79    78 S   HC   _H4_    49     1.09864   109.04173   -87.92328
   80    67 S   CT   _C29    76     1.54375   109.69214   -87.60536
   81    80 S   HC   _H27    77     1.09791   109.79456   -72.40210
   82    80 S   HC   _H28    78     1.09774   109.65302    42.38734
   83    59 S   NA   _N4_   100     1.37222   121.00500   -68.52233
   84    83 S   H    _H11   101     1.01315   124.60736    -0.18767
   85    69 S   CO4  _C37   102     1.44293   130.03375   179.07953
   86    85 S   O    _O39   103     1.22844   124.85019  -179.79729
   87    85 S   HC   _H37   104     1.10200   115.97749     0.15826
   88    78 S   CD   _C19    50     1.50424    99.47466    23.52945
   89    78 S   CT   _C28    72     1.51666   117.79204   147.81569
   90    89 S   HC   _H24    73     1.09435   112.27928   -64.17328
   91    89 S   HC   _H25    74     1.09578   110.41856   176.75140
   92    89 S   HC   _H26    75     1.09342   111.19480    58.36120
   93    80 S   CT   _C30    79     1.53108   113.17290   165.56140
   94    93 S   HC   _H29    80     1.09579   112.02349    -1.71121
   95    93 S   HC   _H30    81     1.09647   109.68071   117.10130
   96    62 S   NI   _N6_    51     1.37886   123.31332   166.53677
   97    88 S   CT   _C20    52     1.50459   123.15333   167.68916
   98    97 S   HC   _H15    53     1.09756   108.48782  -162.10230
   99    97 S   HC   _H16    54     1.09404   108.50278   -46.18940
  100    93 S   CO3  _C31    82     1.52884   111.27108  -121.56599
  101   100 S   O2Z  _O35    83     1.26357   115.12718    63.13695
  102   100 S   O2Z  _O34    84     1.26239   115.07352  -117.83126
  103    97 S   CT   _C21    55     1.52759   110.32271    76.09859
  104   103 S   HC   _H5_    56     1.09561   111.99421   -48.38520
  105   103 S   CM   _C22    57     1.50731   113.57283  -174.66571
  106   105 S   CM   _C23    58     1.34518   112.85810  -116.76847
  107   105 S   CT   _C27    68     1.49356   119.05094    65.90755
  108   107 S   HC   _H21    69     1.09410   110.54212   -73.68509
  109   107 S   HC   _H22    70     1.09328   112.59455   165.28335
  110   107 S   HC   _H23    71     1.09511   110.13276    46.06839
  111   106 S   C    _C24    59     1.48542   106.37419    -2.59947
  112   111 S   O    _O33    60     1.21944   125.37095  -178.27116
  113   106 S   CM   _C25    63     1.43696   131.34266  -178.24543
  114   113 S   HC   _H18    64     1.08733   116.16348   136.17422
  115   103 S   N    _N7_    61     1.43871   111.61573    72.32505
  116   115 S   H    _H17    62     1.01591   124.04927   -61.11531
  117   113 S   CM   _C26    65     1.33801   125.14039   -46.63555
  118   117 S   HC   _H19    66     1.08506   120.23549  -178.60956
  119   117 S   HC   _H20    67     1.08475   122.21570     0.67493
  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   8   5   4   3
  13   6   2   1   1  14  11  13   9   3  14   5   6   2   1   1
   8   3   3   2   1   1  10   4   3   4  11   7  16  12  14   9
   5   4  17   9   9   5   2   1   1   3   2   1   1  15   8  11
   5   4   4   1   2   1   1  12   5   2   1   1   5   4   3   4
  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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    58    60    39    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    43    49    58    60    62    39    41    42    44    45  
   38    40    58    60    39    41  
   36    37  
   37  
    0  
   40    43    49    50    58    60    62    39    41    55    45    46    47    48  
   41    42    44    51    40    49    58    60    62    67    96  
   43    49    50    58    60    55    56    57    59    45    46    47    48  
   42    44    51    52    53    54    58    60    62  
   44    51    60  
   49    50    58    60    55    56    57    59    61    83    45    46    47    48  
   51    52    53    54    60  
   46    47    48    49    55    58  
   47    48  
   48  
    0  
   50    58    60    62    55    56    57    59  
   58    60    55  
   52    53    54  
   53    54  
   54  
    0  
   56    57    59    61    63    69    83    84    64    58  
   57    59    61    83  
   59    61    83  
   60    62    67    96  
   61    63    69    83    84    85    70    64    65    66    74  
   62    67    68    78    88    96    80  
   63    69    83    84    85    70    71    72    73    64    65    66    74    75    76    77  
   67    68    78    79    88    96    97    89    80    81    82    93  
   69    83    84    85    86    87    70    71    72    73    64    65    66    74  
   65    66    74    75    76    77    69    70    83  
   66    74    75    76    77  
   74    75    76    77  
   68    78    79    88    96    97    89    90    91    92    80    81    82    93    94    95   100  
   78    79    88    96    89    80    81    82    93  
   83    84    85    86    87    70    71    72    73  
   71    72    73    83    85  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
   79    88    96    97    98    99   103    89    90    91    92    80    81    82    93  
   88    96    97    89    90    91    92    80  
   81    82    93    94    95   100   101   102    88    89    96  
   82    93    94    95   100  
   93    94    95   100  
   84    85    86    87  
   85  
   86    87  
   87  
    0  
   96    97    98    99   103   104   105   115    89    90    91    92  
   90    91    92    96    97  
   91    92  
   92  
    0  
   94    95   100   101   102  
   95   100   101   102  
  100   101   102  
   97    98    99   103  
   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  -0.175000   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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.146000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   50   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.008000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   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   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   84   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   87   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   88   3.7500   0.1050   0.317500   2.0020   1.7750   0.023028004  -0.852763146
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   97   3.5000   0.0660  -0.083900   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   570.000  1.307
   33    38   285.000  1.502
   33    39   317.000  1.510
   38    40   469.000  1.424
   38    58   546.000  1.367
   40    43   546.000  1.367
   40    45   285.000  1.502
   43    49   427.000  1.381
   43    55   295.000  1.489
   49    50   434.000  1.010
   49    58   427.000  1.381
   58    60   375.000  1.423
   60    62   549.000  1.340
   60    39   380.000  1.444
   62    67   317.000  1.510
   62    96   405.000  1.380
   67    68   340.000  1.090
   67    78   268.000  1.529
   67    80   268.000  1.529
   78    79   340.000  1.090
   78    88   270.000  1.508
   78    89   268.000  1.529
   88    96   500.000  1.261
   88    97   270.000  1.508
   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
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   100   317.000  1.522
  100   101   656.000  1.250
  100   102   656.000  1.250
   39    41   465.000  1.376
   41    42   745.000  1.250
   41    44   440.000  1.360
   44    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   295.000  1.489
   59    61   546.000  1.367
   59    83   427.000  1.381
   61    63   469.000  1.424
   61    64   285.000  1.502
   63    69   546.000  1.367
   63    70   285.000  1.502
   69    83   427.000  1.381
   69    85   335.000  1.450
   83    84   434.000  1.010
   85    86   570.000  1.229
   85    87   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    60.00000  130.00000
   33    38    58    60.00000  130.00000
   33    39    60    70.00000  124.00000
   33    39    41    70.00000  124.00000
   38    33    34    85.00000  111.85700
   38    40    43    70.00000  107.30000
   38    40    45    60.00000  130.00000
   38    58    49    70.00000  107.70000
   38    58    60    50.00000  133.16000
   40    43    49    70.00000  107.70000
   40    43    55    50.00000  133.50000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   43    49    50    35.00000  120.00000
   43    49    58    70.00000  109.80000
   43    55    56    45.00000  110.47400
   43    55    57    45.00000  110.47400
   43    55    59    70.00000  112.04700
   49    58    60    70.00000  120.38000
   58    38    40    70.00000  107.30000
   58    49    50    35.00000  120.00000
   58    60    62    55.00000  128.24000
   58    60    39    55.00000  128.24000
   60    62    67    70.00000  124.00000
   60    62    96    70.00000  120.83400
   60    39    41    70.00000  117.34000
   62    67    68    35.00000  109.50000
   62    67    78    70.00000  112.02700
   62    67    80    70.00000  112.02700
   62    96    88    75.00000  115.77100
   67    78    79    37.50000  110.70000
   67    78    88    70.00000  111.76100
   67    78    89    58.35000  112.70000
   67    80    81    37.50000  110.70000
   67    80    82    37.50000  110.70000
   67    80    93    58.35000  112.70000
   78    67    68    37.50000  110.70000
   78    88    96    65.00000  122.10100
   78    88    97    65.00000  114.98000
   78    89    90    37.50000  110.70000
   78    89    91    37.50000  110.70000
   78    89    92    37.50000  110.70000
   88    78    79    45.00000  109.49600
   88    97    98    45.00000  109.49600
   88    97    99    45.00000  109.49600
   88    97   103    70.00000  111.76100
   96    62    67    65.00000  119.96000
   97    88    96    65.00000  122.10100
   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
   89    78    79    37.50000  110.70000
   89    78    88    70.00000  111.76100
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   80    67    68    37.50000  110.70000
   80    67    78    58.35000  112.70000
   80    93    94    37.50000  110.70000
   80    93    95    37.50000  110.70000
   80    93   100    70.00000  109.69300
   82    80    81    33.00000  107.80000
   93    80    81    37.50000  110.70000
   93    80    82    37.50000  110.70000
   93   100   101    70.00000  117.00000
   93   100   102    70.00000  117.00000
   95    93    94    33.00000  107.80000
  100    93    94    35.00000  109.50000
  100    93    95    35.00000  109.50000
  102   100   101    80.00000  126.00000
   39    33    34    85.00000  110.90400
   39    33    38    70.00000  112.99600
   39    60    62    70.00000  123.01800
   39    41    42    65.00000  137.10300
   39    41    44    80.00000  120.01400
   41    44    51    90.00000  111.18400
   44    41    42    65.00000  121.00000
   44    51    52    35.00000  109.50000
   44    51    53    35.00000  109.50000
   44    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    43    49    65.00000  122.56900
   55    59    61    50.00000  133.50000
   55    59    83    65.00000  122.56900
   57    55    56    33.00000  107.80000
   59    55    56    45.00000  110.47400
   59    55    57    45.00000  110.47400
   59    61    63    70.00000  107.30000
   59    61    64    60.00000  130.00000
   59    83    69    70.00000  109.80000
   59    83    84    35.00000  120.00000
   61    63    69    70.00000  107.30000
   61    63    70    60.00000  130.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    74    70.00000  112.17500
   63    69    83    70.00000  107.70000
   63    69    85    55.00000  130.80000
   63    70    71    35.00000  109.50000
   63    70    72    35.00000  109.50000
   63    70    73    35.00000  109.50000
   69    83    84    35.00000  120.00000
   69    85    86    80.00000  122.40000
   69    85    87    35.00000  115.00000
   83    59    61    70.00000  107.70000
   85    69    83    70.00000  119.02500
   87    85    86    35.00000  123.00000
   70    63    69    60.00000  130.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   64    61    63    60.00000  130.00000
   64    74    75    37.50000  110.70000
   64    74    76    37.50000  110.70000
   64    74    77    37.50000  110.70000
   66    64    65    33.00000  107.80000
   74    64    65    37.50000  110.70000
   74    64    66    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   45    40    43    60.00000  130.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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
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   55    59    61    63   3.62500 -1.0 2.0
   55    59    61    64   3.62500 -1.0 2.0
   55    59    83    69   3.62500 -1.0 2.0
   55    59    83    84   2.00000 -1.0 2.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    83   0.00000  1.0 1.0
   57    55    59    61   0.00000  1.0 1.0
   57    55    59    83   0.00000  1.0 1.0
   59    61   -63    69   3.62500 -1.0 2.0
   59    61    63    70   3.62500 -1.0 2.0
   59    61    64    65   0.00000  1.0 1.0
   59    61    64    66   0.00000  1.0 1.0
   59    61    64    74   0.04150 -1.0 2.0
   61    59   -83    69   3.62500 -1.0 2.0
   61    59    83    84   2.00000 -1.0 2.0
   61    63   -69    83   3.62500 -1.0 2.0
   61    63    69    85   3.62500 -1.0 2.0
   61    63    70    71   0.00000  1.0 1.0
   61    63    70    72   0.00000  1.0 1.0
   61    63    70    73   0.00000  1.0 1.0
   61    64    74    75   0.43200  1.0 3.0
   61    64    74    76   0.43200  1.0 3.0
   61    64    74    77   0.43200  1.0 3.0
   63    61    64    65   0.00000  1.0 1.0
   63    61    64    66   0.00000  1.0 1.0
   63    61    64    74   0.04150 -1.0 2.0
   63    69   -83    59   3.62500 -1.0 2.0
   63    69    83    84   2.00000 -1.0 2.0
   63    69    85    86   1.05000 -1.0 2.0
   63    69    85    87   0.56600 -1.0 2.0
   69    63    70    71   0.00000  1.0 1.0
   69    63    70    72   0.00000  1.0 1.0
   69    63    70    73   0.00000  1.0 1.0
   83    59   -61    63   3.62500 -1.0 2.0
   83    59    61    64   3.62500 -1.0 2.0
   83    69    85    86   1.85000 -1.0 2.0
   83    69    85    87   0.56600 -1.0 2.0
   85    69    83    59   3.62500 -1.0 2.0
   85    69    83    84   2.00000 -1.0 2.0
   70    63    69    83   3.62500 -1.0 2.0
   70    63    69    85   3.62500 -1.0 2.0
   64    61    63    69   3.62500 -1.0 2.0
   64    61    63    70   3.62500 -1.0 2.0
   65    64    74    75   0.15000  1.0 3.0
   65    64    74    76   0.15000  1.0 3.0
   65    64    74    77   0.15000  1.0 3.0
   66    64    74    75   0.15000  1.0 3.0
   66    64    74    76   0.15000  1.0 3.0
   66    64    74    77   0.15000  1.0 3.0
   45    40    43    49   3.62500 -1.0 2.0
   45    40    43    55   3.62500 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   40    58    38    33   4.00000 -1.0 2.0
   43    45    40    38   4.00000 -1.0 2.0
   55    49    43    40   4.00000 -1.0 2.0
   50    43    49    58   1.00000 -1.0 2.0
   49    60    58    38   4.00000 -1.0 2.0
   58    39    60    62   1.10000 -1.0 2.0
   67    96    62    60   1.10000 -1.0 2.0
   78    97    88    96  10.50000 -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    93   100   102  10.50000 -1.0 2.0
   33    60    39    41   1.10000 -1.0 2.0
   42    44    41    39   1.10000 -1.0 2.0
   61    83    59    55   4.00000 -1.0 2.0
   63    64    61    59   4.00000 -1.0 2.0
   69    70    63    61   4.00000 -1.0 2.0
   85    83    69    63   4.00000 -1.0 2.0
   84    59    83    69   1.00000 -1.0 2.0
   69    87    85    86  10.50000 -1.0 2.0
END
