* LIGAND DATABASE FILE (OPLS2005)
*
001     115   124    232    386     684
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02064   104.80616   -32.72600
    3     1 S   H    _H1_     3     1.02046    67.39300    71.70030
    4     1 S   H    _H2_     4     1.02108    45.45265  -134.48434
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.67486    58.67070
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C34    36     1.89538    95.85877   161.87395
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CR3  _C14    37     1.52312   105.19530    60.00384
   38    33 S   CT   _C29    61     1.55043   105.98376   -66.59428
   39    38 S   HC   _H65    62     1.09974   111.79949    22.71514
   40    37 S   CA   _C11    38     1.41185   118.59353    88.65117
   41    38 S   CO4  _C22    63     1.51092   100.54605   -89.56332
   42    41 S   O    _O39    64     1.22719   122.92631   161.49391
   43    40 S   CA   _C5_    39     1.40427   120.08858  -173.28501
   44    43 S   HA   _H48    40     1.08678   120.20121  -179.81655
   45    41 S   CT   _C35    65     1.53600   112.51753   -19.27581
   46    43 S   CA   _C8_    41     1.39303   120.57490    -0.39713
   47    46 S   HA   _H51    42     1.08675   119.60536   179.56255
   48    45 S   CT   _C26    66     1.56519   109.49594   124.36703
   49    48 S   HC   _H59    67     1.09338   113.18417   -31.35065
   50    48 S   HC   _H60    68     1.09378   112.04595  -152.88459
   51    33 S   NT   _N38   104     1.48451   114.25134  -179.64009
   52    46 S   CA   _C19    43     1.39050   119.90795    -2.14658
   53    48 S   CT   _C30    69     1.53504   103.67130    87.77470
   54    53 S   HC   _H66    70     1.09997   106.86664   -79.29075
   55    51 S   CT   _C27   105     1.45737   112.68595   -57.07462
   56    55 S   HC   _H61   106     1.09082   111.97258   179.37756
   57    55 S   HC   _H62   107     1.09581   111.91310    61.49410
   58    37 S   CA   _C17    44     1.40486   123.29121   -88.53748
   59    53 S   CT   _C31    71     1.55190   121.25206   156.30414
   60    59 S   HC   _H67    72     1.09772   107.84998    59.95249
   61    53 S   CT   _C33    84     1.51808   103.31315    37.04488
   62    40 S   CT   _C23   108     1.51242   121.22351    11.28851
   63    62 S   HC   _H53   109     1.09807   106.98250   110.07224
   64    62 S   HC   _H54   110     1.09733   109.55393  -133.73189
   65    52 S   OS   _O44   111     1.36167   119.19365  -178.19127
   66    58 S   OS   _O40    45     1.37746   121.81742   -10.18457
   67    59 S   CT   _C24    73     1.56981   114.03640   -59.97091
   68    67 S   HC   _H55    74     1.09395   111.81378  -157.83187
   69    67 S   HC   _H56    75     1.09849   106.81483    86.34651
   70    61 S   CT   _C25    85     1.52745   109.77238  -164.99366
   71    70 S   HC   _H57    86     1.09647   111.60767  -175.68389
   72    70 S   HC   _H58    87     1.09793   109.18157    66.45249
   73    59 S   NT   _N37    91     1.48915   105.03520   174.59564
   74    45 S   CT   _C32    96     1.57650   106.80140  -120.88462
   75    74 S   HC   _H68    97     1.09561   111.52011    10.05602
   76    65 S   CT   _C38   112     1.42677   117.00318   -90.88316
   77    76 S   HC   _H75   113     1.09313   109.47313  -179.97202
   78    76 S   HC   _H76   114     1.09261   109.52251    59.24087
   79    76 S   HC   _H77   115     1.09283   108.98934   -60.40919
   80    66 S   CA   _C15    46     1.38116   111.77767   -64.80820
   81    67 S   CA   _C10    76     1.50610   115.03024   -31.90537
   82    70 S   CT   _C28    88     1.54400   110.96061   -53.45227
   83    82 S   HC   _H63    89     1.09660   107.68454   165.73025
   84    82 S   HC   _H64    90     1.09740   109.54772   -79.09545
   85    73 S   CT   _C36    92     1.45846   113.53439  -168.74201
   86    85 S   HC   _H69    93     1.09230   110.16146    48.81143
   87    85 S   HC   _H70    94     1.09348   110.17146   -71.23014
   88    85 S   HC   _H71    95     1.09388   110.21661   168.84311
   89   101 S   OS   _O41    98     1.37346   126.68964   167.10802
   90    80 S   CA   _C12    47     1.40465   119.82607    75.17504
   91    81 S   CA   _C4_    77     1.39465   124.34589   176.75961
   92    91 S   HA   _H47    78     1.08691   120.39519     9.35885
   93    90 S   CA   _C6_    48     1.39980   117.64456  -179.26751
   94    93 S   HA   _H49    49     1.08509   121.48015  -179.14020
   95    91 S   CA   _C7_    79     1.41078   120.15083  -167.62395
   96    95 S   HA   _H50    80     1.08753   118.97954   179.08807
   97    93 S   CA   _C9_    50     1.39957   120.71522     0.08623
   98    97 S   HA   _H52    51     1.08714   119.30405   179.93147
   99    95 S   CA   _C18    81     1.40167   121.06643     3.26051
  100    97 S   CA   _C20    52     1.39269   120.50852    -0.78335
  101    99 S   CA   _C16    82     1.37740   117.42320    -2.88622
  102    99 S   OS   _O43    99     1.35510   120.83092   173.70110
  103    80 S   CA   _C21    53     1.39631   118.14598  -105.01596
  104   100 S   OS   _O45    56     1.36187   119.49401  -179.44222
  105    81 S   CR3  _C13    83     1.37983   118.07720     5.87143
  106   102 S   CT   _C37   100     1.42888   117.28195     3.53900
  107   106 S   HC   _H72   101     1.09294   109.51699   179.96044
  108   106 S   HC   _H73   102     1.09277   109.54785    59.22271
  109   106 S   HC   _H74   103     1.09233   109.00174   -60.46347
  110   103 S   OH   _O42    54     1.36158   120.73960    -0.90547
  111   110 S   HO   _H81    55     0.97010   110.25914  -179.95154
  112   104 S   CT   _C39    57     1.42641   117.03494    -0.11535
  113   112 S   HC   _H78    58     1.09290   109.52679   179.93439
  114   112 S   HC   _H79    59     1.09330   109.49085    59.16143
  115   112 S   HC   _H80    60     1.09235   108.99120   -60.36479
  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  11   5   4   3
  21   2   1   1  19  17   7  14  15   5  10   4  19   7   3  16
   7   6  13   8  19   8   6   4   3   7  18   8  16   2   1   1
   5   6  11   5   4  13   7   6   8   7   3   3   2   1   1   9
   8   7   2   1   3   2   1   1   5   7   7   4   6   3   6   3
   6   3   7   8   3   5   4   5   1   3   2   1   1   1   1   3
   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    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    58    90    38    39    41    45    51    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    43    52    58    66    80    90    93    38    39    41    42    45    48    74    51    55    56    57    62  
   35    36  
   36  
    0  
   40    43    44    46    52    58    66    80    90    38    39    41    45    51    55    62    63    64    65  
   39    41    42    45    48    74    51    55    40    58    66    80    90    93    94    97   103  
   41    42    45    51    80    90    93  
   43    44    46    47    52    58    66    51    55    56    57    62    63    64  
   42    45    48    49    50    53    61    74    75    89    51    55    80    90    93  
   45    48    74    51    90  
   44    46    47    52    58    55    62    63    64    65  
   46    47    52    62  
   48    49    50    53    54    59   101   105    61    70    74    75    89    51    55    56    57    62    90  
   47    52    58    66    62    65    76  
   52    58    65  
   49    50    53    54    59    60    67   105    61    70    73    74    75    89    51    55  
   50    53    54    59    61    74    51  
   53    54    59    61    74    51  
   55    56    57    62    63    64    53    58    61    74    75    89    90  
   58    66    80    65    76    77    78    79  
   54    59    60    67    68    69    81   101   105    61    70    71    72    82    73    85    74    75    89  
   59    60    67   105    61    70    73    74  
   56    57    62    63    64    74  
   57    62    63    64  
   62    63    64  
   66    80    90   103    62    65    76  
   60    67    68    69    81    91   105    61    70    82    83    84    73    85    86    87    88    74  
   67    68    69    81    61    82    73    85  
   70    71    72    82    83    84    73    74    75    89    67    81    91    99   101   105  
   63    64  
   64  
    0  
   76    77    78    79    66  
   80    90    93   100   103   110  
   68    69    81    91    92    95   101   105    82    73    85  
   69    81    91   105    73  
   81    91   105    73  
   71    72    82    83    84    73    85    74    75    89    81   101   105  
   72    82    83    84    73    74   105  
   82    83    84    73    74   105  
   85    86    87    88    81    82    83    84  
   75    89    81    82    99   101   105  
   89   101   105  
   77    78    79  
   78    79  
   79  
    0  
   90    93    94    97   100   103   110   111   104  
   91    92    95    96    99   101   105    89  
   83    84    85    86    87    88   105  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    0  
  102    95    99   101   105  
   93    94    97    98   100   103   110  
   92    95    96    99   101   105   102  
   95    96    99   105  
   94    97    98   100   103   104  
   97    98   100  
   96    99   101   105   102   106  
   99   101   102  
   98   100   103   110   104   112  
  100   103   104  
  101   105   102   106   107   108   109  
  103   110   111   104   112   113   114   115  
  105   102   106  
  106   107   108   109   105  
  110   111   104   112  
  112   113   114   115   110  
    0  
  107   108   109  
  108   109  
  109  
    0  
  111  
    0  
  113   114   115  
  114   115  
  115  
    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   0.492500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.120000   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   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.090000   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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.005000   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660  -0.120000   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   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   95   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   96   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   97   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   99   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
  100   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
  101   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
  102   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  103   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  104   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  105   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
  106   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  110   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  111   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
  112   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.030000   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   317.000  1.510
   33    38   268.000  1.529
   33    51   382.000  1.448
   37    40   490.000  1.398
   37    58   490.000  1.398
   40    43   469.000  1.400
   40    62   317.000  1.510
   43    44   367.000  1.080
   43    46   469.000  1.400
   46    47   367.000  1.080
   46    52   469.000  1.400
   52    58   469.000  1.400
   52    65   450.000  1.364
   58    66   450.000  1.364
   66    80   450.000  1.364
   80    90   469.000  1.400
   80   103   469.000  1.400
   90    93   469.000  1.400
   90    38   317.000  1.510
   93    94   367.000  1.080
   93    97   469.000  1.400
   97    98   367.000  1.080
   97   100   469.000  1.400
  100   103   469.000  1.400
  100   104   450.000  1.364
  103   110   450.000  1.364
  110   111   553.000  0.945
  104   112   320.000  1.410
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
   38    39   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    45   317.000  1.522
   45    48   268.000  1.529
   45    74   268.000  1.529
   45    51   382.000  1.448
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    61   268.000  1.529
   59    60   340.000  1.090
   59    67   268.000  1.529
   59    73   382.000  1.448
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    81   317.000  1.510
   81    91   469.000  1.400
   81   105   490.000  1.398
   91    92   367.000  1.080
   91    95   469.000  1.400
   95    96   367.000  1.080
   95    99   469.000  1.400
   99   101   469.000  1.400
   99   102   450.000  1.364
  101   105   490.000  1.398
  101    89   450.000  1.364
  105    61   317.000  1.510
   61    70   268.000  1.529
   61    74   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    73   382.000  1.448
   73    85   382.000  1.448
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   74    75   340.000  1.090
   74    89   320.000  1.410
  102   106   320.000  1.410
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   51    55   382.000  1.448
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   65    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    51    85.00000  109.00000
   33    37    40    70.00000  120.00000
   33    37    58    70.00000  120.00000
   33    38    90    70.00000  112.17500
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    51    45    51.80000  107.20000
   33    51    55    51.80000  107.20000
   37    40    43    70.00000  112.88000
   37    40    62    80.00000  105.07000
   37    58    52    70.00000  112.88000
   37    58    66    70.00000  120.00000
   40    43    44    35.00000  120.00000
   40    43    46    63.00000  120.00000
   40    62    55    70.00000  112.17500
   40    62    63    35.00000  109.50000
   40    62    64    35.00000  109.50000
   43    46    47    35.00000  120.00000
   43    46    52    63.00000  120.00000
   46    43    44    35.00000  120.00000
   46    52    58    63.00000  120.00000
   46    52    65    70.00000  120.00000
   52    46    47    35.00000  120.00000
   52    58    66    70.00000  120.00000
   52    65    76    75.00000  111.00000
   58    37    40    60.00000  130.80000
   58    66    80    85.00000  114.70000
   66    80    90    70.00000  120.00000
   66    80   103    70.00000  120.00000
   80    90    93    63.00000  120.00000
   80    90    38    70.00000  120.00000
   80   103   100    63.00000  120.00000
   80   103   110    70.00000  120.00000
   90    93    94    35.00000  120.00000
   90    93    97    63.00000  120.00000
   90    38    39    35.00000  109.50000
   90    38    41    70.00000  110.93000
   93    97    98    35.00000  120.00000
   93    97   100    63.00000  120.00000
   97    93    94    35.00000  120.00000
   97   100   103    63.00000  120.00000
   97   100   104    70.00000  120.00000
  100    97    98    35.00000  120.00000
  100   103   110    70.00000  120.00000
  100   104   112    75.00000  111.00000
  103    80    90    63.00000  120.00000
  103   110   111    35.00000  113.00000
  104   100   103    70.00000  120.00000
  104   112   113    35.00000  109.50000
  104   112   114    35.00000  109.50000
  104   112   115    35.00000  109.50000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
   38    33    37    70.00000  112.17500
   38    90    93    70.00000  120.00000
   38    41    42    80.00000  120.40000
   38    41    45    70.00000  116.00000
   41    38    39    35.00000  109.50000
   41    45    48    63.00000  111.10000
   41    45    74    63.00000  111.10000
   41    45    51    75.00000  112.82000
   45    41    42    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    53    58.35000  112.70000
   45    74    61    58.35000  112.70000
   45    74    75    37.50000  110.70000
   45    74    89    50.00000  109.50000
   45    51    55    51.80000  107.20000
   48    53    54    37.50000  110.70000
   48    53    59    58.35000  112.70000
   48    53    61    58.35000  112.70000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    67    58.35000  112.70000
   53    59    73    56.20000  109.47000
   53    61   105    70.00000  112.17500
   53    61    70    58.35000  112.70000
   53    61    74    58.35000  112.70000
   59    53    54    37.50000  110.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    81    70.00000  112.17500
   59    73    82    51.80000  107.20000
   59    73    85    51.80000  107.20000
   67    59    60    37.50000  110.70000
   67    81    91    70.00000  120.00000
   67    81   105    80.00000  105.07000
   69    67    68    33.00000  107.80000
   81    67    68    35.00000  109.50000
   81    67    69    35.00000  109.50000
   81    91    92    35.00000  120.00000
   81    91    95    63.00000  120.00000
   81   105   101    60.00000  130.80000
   81   105    61    70.00000  120.00000
   91    95    96    35.00000  120.00000
   91    95    99    63.00000  120.00000
   95    91    92    35.00000  120.00000
   95    99   101    63.00000  120.00000
   95    99   102    70.00000  120.00000
   99    95    96    35.00000  120.00000
   99   101   105    70.00000  112.88000
   99   101    89    70.00000  120.00000
   99   102   106    75.00000  111.00000
  101   105    61    70.00000  120.00000
  101    89    74    75.00000  111.00000
  105    81    91    70.00000  112.88000
  105    61    70    70.00000  112.17500
  105    61    74    70.00000  112.17500
   61    53    54    37.50000  110.70000
   61    53    59    58.35000  112.70000
   61    70    71    37.50000  110.70000
   61    70    72    37.50000  110.70000
   61    70    82    58.35000  112.70000
   61    74    75    37.50000  110.70000
   61    74    89    50.00000  109.50000
   70    82    83    37.50000  110.70000
   70    82    84    37.50000  110.70000
   70    82    73    56.20000  109.47000
   72    70    71    33.00000  107.80000
   82    70    71    37.50000  110.70000
   82    70    72    37.50000  110.70000
   82    73    85    51.80000  107.20000
   84    82    83    33.00000  107.80000
   73    59    60    35.00000  109.50000
   73    59    67    56.20000  109.47000
   73    82    83    35.00000  109.50000
   73    82    84    35.00000  109.50000
   73    85    86    35.00000  109.50000
   73    85    87    35.00000  109.50000
   73    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   74    45    48    58.35000  112.70000
   74    61    70    58.35000  112.70000
   89   101   105    70.00000  120.00000
   89    74    75    35.00000  109.50000
  102    99   101    70.00000  120.00000
  102   106   107    35.00000  109.50000
  102   106   108    35.00000  109.50000
  102   106   109    35.00000  109.50000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   51    33    37    75.00000  112.33000
   51    33    38    56.20000  109.47000
   51    45    48    56.20000  109.47000
   51    45    74    56.20000  109.47000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    62    56.20000  109.47000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   57    55    56    33.00000  107.80000
   62    40    43    70.00000  120.00000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    52    58    70.00000  120.00000
   65    76    77    35.00000  109.50000
   65    76    78    35.00000  109.50000
   65    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
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   67    59    73    85   0.58650  1.0 1.0
   67    59    73    85   0.12600 -1.0 2.0
   67    59    73    85   0.33350  1.0 3.0
   67    81    91    92   3.62500 -1.0 2.0
   67    81    91    95   3.62500 -1.0 2.0
   67    81   105   101   3.62500 -1.0 2.0
   67    81   105    61   3.62500 -1.0 2.0
   68    67    81    91   0.00000  1.0 1.0
   68    67    81   105   0.00000  1.0 1.0
   69    67    81    91   0.00000  1.0 1.0
   69    67    81   105   0.00000  1.0 1.0
   81    91    95    96   3.62500 -1.0 2.0
   81    91    95    99   3.62500 -1.0 2.0
   81   105   -61    53   0.04150 -1.0 2.0
   81   105    61    70   0.04150 -1.0 2.0
   81   105    61    74   0.04150 -1.0 2.0
   91    81   105   101   3.62500 -1.0 2.0
   91    81   105    61   3.62500 -1.0 2.0
   91    95   -99   101   3.62500 -1.0 2.0
   91    95    99   102   3.62500 -1.0 2.0
   92    91    95    96   3.62500 -1.0 2.0
   92    91    95    99   3.62500 -1.0 2.0
   95    99   101   105   3.62500 -1.0 2.0
   95    99   101    89   3.62500 -1.0 2.0
   95    99   102   106   1.63200 -1.0 2.0
   96    95    99   101   3.62500 -1.0 2.0
   96    95    99   102   3.62500 -1.0 2.0
   99   101  -105    81   3.62500 -1.0 2.0
   99   101   105    61   3.62500 -1.0 2.0
   99   101    89    74   1.63200 -1.0 2.0
   99   102   106   107   0.08050  1.0 3.0
   99   102   106   108   0.08050  1.0 3.0
   99   102   106   109   0.08050  1.0 3.0
  101    99   102   106   1.63200 -1.0 2.0
  101   105    61    53   0.04150 -1.0 2.0
  101   105    61    70   0.04150 -1.0 2.0
  101   105   -61    74   0.04150 -1.0 2.0
  105    81    91    92   3.62500 -1.0 2.0
  105    81   -91    95   3.62500 -1.0 2.0
  105   101   -89    74   1.63200 -1.0 2.0
  105    61    70    71   0.43200  1.0 3.0
  105    61    70    72   0.43200  1.0 3.0
  105    61    70    82  -0.03700  1.0 1.0
  105    61    70    82   0.37200 -1.0 2.0
  105    61    70    82  -0.47300  1.0 3.0
  105    61    74    45  -0.03700  1.0 1.0
  105    61    74    45   0.37200 -1.0 2.0
  105    61    74    45  -0.47300  1.0 3.0
  105    61    74    75   0.43200  1.0 3.0
  105    61   -74    89  -0.64350  1.0 1.0
  105    61   -74    89  -0.04200 -1.0 2.0
  105    61   -74    89   0.19800  1.0 3.0
   61    53    59    60   0.15000  1.0 3.0
   61    53   -59    67   0.56750  1.0 1.0
   61    53   -59    67  -0.07550 -1.0 2.0
   61    53   -59    67   0.20000  1.0 3.0
   61    53    59    73   1.53400  1.0 1.0
   61    53    59    73  -0.09950 -1.0 2.0
   61    53    59    73   0.05700  1.0 3.0
   61    70    82    83   0.15000  1.0 3.0
   61    70    82    84   0.15000  1.0 3.0
   61    70   -82    73   1.53400  1.0 1.0
   61    70   -82    73  -0.09950 -1.0 2.0
   61    70   -82    73   0.05700  1.0 3.0
   61    74   -89   101  -0.32850  1.0 1.0
   61    74   -89   101  -0.35800 -1.0 2.0
   61    74   -89   101   0.33950  1.0 3.0
   70    61    74    45   0.56750  1.0 1.0
   70    61    74    45  -0.07550 -1.0 2.0
   70    61    74    45   0.20000  1.0 3.0
   70    61    74    75   0.15000  1.0 3.0
   70    61    74    89   0.62750  1.0 1.0
   70    61    74    89  -0.30950 -1.0 2.0
   70    61    74    89   0.27300  1.0 3.0
   70    82   -73    59   0.23450  1.0 1.0
   70    82   -73    59   0.02050 -1.0 2.0
   70    82   -73    59   0.25250  1.0 3.0
   70    82    73    85   0.58650  1.0 1.0
   70    82    73    85   0.12600 -1.0 2.0
   70    82    73    85   0.33350  1.0 3.0
   71    70    82    83   0.15000  1.0 3.0
   71    70    82    84   0.15000  1.0 3.0
   71    70    82    73   0.15000  1.0 3.0
   72    70    82    83   0.15000  1.0 3.0
   72    70    82    84   0.15000  1.0 3.0
   72    70    82    73   0.15000  1.0 3.0
   82    73    85    86   0.28000  1.0 3.0
   82    73    85    87   0.28000  1.0 3.0
   82    73    85    88   0.28000  1.0 3.0
   83    82    73    59   0.28000  1.0 3.0
   83    82    73    85   0.28000  1.0 3.0
   84    82    73    59   0.28000  1.0 3.0
   84    82    73    85   0.28000  1.0 3.0
   73    59    67    68   0.15000  1.0 3.0
   73    59    67    69   0.15000  1.0 3.0
   73    59    67    81   0.83750  1.0 1.0
   73    59    67    81   0.32200 -1.0 2.0
   73    59    67    81   0.70600  1.0 3.0
   74    45    48    49   0.15000  1.0 3.0
   74    45    48    50   0.15000  1.0 3.0
   74    45   -48    53   0.56750  1.0 1.0
   74    45   -48    53  -0.07550 -1.0 2.0
   74    45   -48    53   0.20000  1.0 3.0
   74    45    51    33   0.23450  1.0 1.0
   74    45    51    33   0.02050 -1.0 2.0
   74    45    51    33   0.25250  1.0 3.0
   74    45    51    55   0.23450  1.0 1.0
   74    45    51    55   0.02050 -1.0 2.0
   74    45    51    55   0.25250  1.0 3.0
   74    61    70    71   0.15000  1.0 3.0
   74    61    70    72   0.15000  1.0 3.0
   74    61    70    82   0.56750  1.0 1.0
   74    61    70    82  -0.07550 -1.0 2.0
   74    61    70    82   0.20000  1.0 3.0
   75    74    89   101   0.08050  1.0 3.0
   89   101   105    81   3.62500 -1.0 2.0
   89   101  -105    61   3.62500 -1.0 2.0
  102    99   101   105   3.62500 -1.0 2.0
  102    99   101    89   3.62500 -1.0 2.0
   51    33    37    40   0.18550 -1.0 2.0
   51    33    37    40   0.14000  1.0 3.0
   51    33    37    58   0.18550 -1.0 2.0
   51    33    37    58   0.14000  1.0 3.0
   51    33    38    90   0.83750  1.0 1.0
   51    33    38    90   0.32200 -1.0 2.0
   51    33    38    90   0.70600  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    41  -3.56550  1.0 1.0
   51    33   -38    41  -0.67500 -1.0 2.0
   51    33   -38    41   1.11300  1.0 3.0
   51    45    48    49   0.15000  1.0 3.0
   51    45    48    50   0.15000  1.0 3.0
   51    45    48    53   1.53400  1.0 1.0
   51    45    48    53  -0.09950 -1.0 2.0
   51    45    48    53   0.05700  1.0 3.0
   51    45    74    61   1.53400  1.0 1.0
   51    45    74    61  -0.09950 -1.0 2.0
   51    45    74    61   0.05700  1.0 3.0
   51    45    74    75   0.15000  1.0 3.0
   51    45    74    89   1.74050  1.0 1.0
   51    55   -62    40   0.83750  1.0 1.0
   51    55   -62    40   0.32200 -1.0 2.0
   51    55   -62    40   0.70600  1.0 3.0
   51    55    62    63   0.15000  1.0 3.0
   51    55    62    64   0.15000  1.0 3.0
   56    55    62    40   0.43200  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   57    55    62    40   0.43200  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   62    40    43    44   3.62500 -1.0 2.0
   62    40    43    46   3.62500 -1.0 2.0
   65    52    58    37   3.62500 -1.0 2.0
   65    52    58    66   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   40    58    37    33   4.00000 -1.0 2.0
   43    62    40    37   4.00000 -1.0 2.0
   46    44    43    40   1.10000 -1.0 2.0
   52    47    46    43   1.10000 -1.0 2.0
   58    65    52    46   4.00000 -1.0 2.0
   52    66    58    37   4.00000 -1.0 2.0
   90   103    80    66   4.00000 -1.0 2.0
   93    38    90    80   4.00000 -1.0 2.0
   97    94    93    90   1.10000 -1.0 2.0
  100    98    97    93   1.10000 -1.0 2.0
  103   104   100    97   4.00000 -1.0 2.0
  100   110   103    80   4.00000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
   91   105    81    67   4.00000 -1.0 2.0
   95    92    91    81   1.10000 -1.0 2.0
   99    96    95    91   1.10000 -1.0 2.0
  101   102    99    95   4.00000 -1.0 2.0
  105    89   101    99   4.00000 -1.0 2.0
  101    61   105    81   4.00000 -1.0 2.0
END
