* LIGAND DATABASE FILE (OPLS2005)
*
001     116   119    217    341     643
    1     0 S   NP   _N1_     1    28.80946    96.95219   -19.70474
    2     1 S   H    _HN1     2     1.02960    89.78402    48.51411
    3     1 S   H    _H1_     3     1.02841    46.25128   162.67346
    4     1 S   H    _H2_     4     1.02781    73.49637   -60.71900
    5     1 S   CT   _CA1     5     1.50144   154.56778  -167.97654
    6     5 S   HC   _HA1     6     1.09575   105.20631    36.90485
    7     5 S   CO3  _C1_     7     1.53857   112.30591   -83.22492
    8     7 S   O2Z  _O11     8     1.26359   114.97657   -43.77844
    9     7 S   O2Z  _O12     9     1.26230   114.88879   135.20073
   10     5 S   CT   _CB1    10     1.53108   107.40765   154.77133
   11    10 S   HC   HB11    11     1.09812   109.36950   -49.97747
   12    10 S   HC   HB12    12     1.09827   110.41811    66.61924
   13    10 S   CT   _CG1    13     1.52988   112.63838  -171.13787
   14    13 S   HC   HG11    14     1.09437   110.18632   -61.27584
   15    13 S   HC   HG12    15     1.09630   110.18676    57.68441
   16    13 S   C    _CD1    16     1.51834   112.21237   177.67569
   17    16 S   O    _OE1    17     1.22748   123.04221   -15.74914
   18    16 S   N    _N2_    18     1.38579   111.83970   165.45798
   19    18 S   H    _HN2    19     1.01601   119.09746    -0.50706
   20    18 S   CT1  _CA2    20     1.46342   123.51286  -179.76261
   21    20 S   HC   _HA2    21     1.09736   109.28540   -14.48100
   22    20 S   C    _C2_    22     1.53477   108.46424  -130.04582
   23    22 S   O    _O2_    23     1.23017   122.26392  -148.45794
   24    20 S   CT   _CB2    32     1.53433   111.28488   107.69497
   25    24 S   HC   HB21    33     1.09431   109.34590    53.92756
   26    24 S   HC   HB22    34     1.09494   110.81235   172.44480
   27    22 S   N    _N3_    24     1.38525   113.41004    39.16363
   28    27 S   H    _HN3    25     1.01524   118.85917    -0.84858
   29    24 S   S    _SG2    35     1.82908   111.36512   -68.37688
   30    27 S   CT   _CA3    26     1.45446   123.53274   175.10027
   31    30 S   HC   HA31    27     1.09517   109.32666    22.56237
   32    30 S   HC   HA32    28     1.09498   107.09507   139.57863
   33    29 S   CT   _C27    36     1.87722   100.20570   151.97357
   34    30 S   CO3  _C3_    29     1.52917   113.07718  -100.98181
   35    34 S   O2Z  _O31    30     1.26407   115.39852   -44.43989
   36    34 S   O2Z  _O32    31     1.26355   114.99198   136.50940
   37    33 S   CM   _C17    37     1.55354   110.44918   -68.63798
   38    33 S   CT   _C26    98     1.57700   110.82406   173.21528
   39    33 S   OH   _O36   115     1.43018   105.32022    56.39763
   40    39 S   HO   _H26   116     0.97376   107.95135  -150.92243
   41    37 S   CMA  _C16    38     1.36916   124.85952   129.06419
   42    41 S   OM   _O40    39     1.26772   125.82211   -11.19714
   43    38 S   OH   _O37    99     1.43960   108.17680   -53.17844
   44    43 S   HO   _H27   100     0.97414   107.03207   -48.10094
   45    41 S   CA   _C14    40     1.53931   115.28048   163.20427
   46    45 S   CA   _C13    41     1.41371   121.10309    19.54040
   47    46 S   CA   _C12    42     1.42120   121.68891   179.69481
   48    46 S   CT   _C19    81     1.50138   118.47663     4.00076
   49    48 S   HC   _H22    82     1.09817   106.82837    84.63219
   50    48 S   HC   _H23    83     1.09410   112.69691  -158.67741
   51    47 S   CA   _C11    43     1.40444   119.26652     1.50194
   52    51 S   HA   _H20    44     1.08401   117.94021   178.57234
   53    47 S   NE   _N8_    72     1.40278   120.42585  -179.65508
   54    37 S   CT   _C18    84     1.51866   111.22445   -57.46468
   55    54 S   HC   _H3_    85     1.09469   110.85511    48.99619
   56    51 S   CA   _C10    45     1.38988   120.95964    -0.45970
   57    53 S   CT   _C31    73     1.45734   114.91085   -90.17726
   58    57 S   HC   _H36    74     1.09529   110.24218   167.71062
   59    57 S   HC   _H37    75     1.09580   111.70732    48.56287
   60    57 S   HC   _H38    76     1.09572   110.86857   -72.59467
   61    53 S   CT   _C32    77     1.45518   117.41182   125.32279
   62    61 S   HC   _H39    78     1.09535   110.08491  -165.20586
   63    61 S   HC   _H40    79     1.09521   111.56974    75.12547
   64    61 S   HC   _H41    80     1.09577   111.05699   -46.61758
   65    54 S   CT   _C20    86     1.52790   108.16658   -67.54803
   66    65 S   HC   _H24    87     1.09794   109.54731   177.83716
   67    65 S   HC   _H25    88     1.09531   108.87481   -66.72077
   68    45 S   CA   _C15    46     1.42132   122.56557  -158.99129
   69    56 S   N    _N5_    49     1.41744   123.82244   179.59266
   70    69 S   H    _H19    50     1.01861   113.84560  -179.75213
   71    65 S   CT   _C21    89     1.56339   111.96439    57.49551
   72    71 S   HC   _H4_    90     1.09644   105.27848    70.36856
   73    68 S   OH   _O34    47     1.38045   122.15140     0.33572
   74    73 S   HO   _H21    48     0.97541   107.45177    -5.35269
   75    69 S   C    _C9_    51     1.38772   128.09759     0.36154
   76    75 S   O    _O33    52     1.22716   127.69847     0.08847
   77    71 S   CT   _C22    91     1.57095   109.92544  -173.33921
   78    77 S   HC   _H5_    92     1.10328   105.63057   -52.62442
   79    75 S   CT1  _C8_    53     1.51776   111.03238  -179.93439
   80    79 S   HC   _H17    54     1.09292   109.37571    61.32858
   81    79 S   HC   _H18    55     1.09292   109.40211   -60.76848
   82    77 S   CMA  _C23    93     1.55768   107.25414    64.00701
   83    82 S   OM   _O39    94     1.26742   110.93882  -135.27212
   84    77 S   NT   _N7_   106     1.49881   113.51148  -169.66795
   85    79 S   NP   _N4_    56     1.50245   110.74754  -179.72024
   86    85 S   H    _H15    57     1.03053   107.57282   -55.98896
   87    85 S   H    _H16    58     1.03053   107.56227    56.11944
   88    82 S   CM   _C24    95     1.35653   118.36896    40.46983
   89    84 S   CT   _C29   107     1.46808   112.89986  -176.15346
   90    89 S   HC   _H30   108     1.09677   110.63055  -177.20194
   91    89 S   HC   _H31   109     1.09445   111.53460    66.32824
   92    89 S   HC   _H32   110     1.09590   112.17467   -56.63275
   93    84 S   CT   _C30   111     1.46927   111.87941    61.64293
   94    93 S   HC   _H33   112     1.09666   110.65723   177.35100
   95    93 S   HC   _H34   113     1.09589   112.01354    56.73635
   96    93 S   HC   _H35   114     1.09310   112.03217   -65.78520
   97    85 S   CT   _C5_    59     1.51491   118.93928  -179.94405
   98    88 S   CO4  _C25    96     1.49624   121.33773     1.15674
   99    98 S   O    _O35    97     1.23416   118.23636   154.66933
  100    88 S   C    _C28   101     1.49926   119.30772  -178.41749
  101   100 S   O    _O38   102     1.22655   123.33049   -49.51867
  102    97 S   CT   _C4_    60     1.53522   106.26303  -180.00000
  103   102 S   HC   _H6_    61     1.09611   111.38697   -60.15227
  104   102 S   HC   _H7_    62     1.09611   111.38688    60.15668
  105   102 S   HC   _H8_    63     1.09591   110.99437  -179.97202
  106    97 S   CT   _C6_    64     1.53033   109.59678   -61.34526
  107   106 S   HC   _H9_    65     1.09497   111.92217    67.62890
  108   106 S   HC   _H10    66     1.09579   111.42636   -53.41661
  109   106 S   HC   _H11    67     1.09611   110.72135  -173.13550
  110    97 S   CT   _C7_    68     1.53033   109.59465    61.39526
  111   110 S   HC   _H12    69     1.09497   111.92329   -67.63473
  112   110 S   HC   _H13    70     1.09580   111.42609    53.41102
  113   110 S   HC   _H14    71     1.09611   110.72126   173.12942
  114   100 S   N    _N6_   103     1.37567   113.07735   130.74179
  115   114 S   H    _H28   104     1.01527   122.88728    -0.17132
  116   114 S   H    _H29   105     1.01312   120.27535   179.91377
  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  10   5   4   3
  19   2   1   1  19  19   6   1  11   4   8   2  13  15  18  11
   4   3  10   4   9   7   4   8   7   3   2   1   3   2   1   1
   9   4   3   5   8   3  11   5   1   1   8   4  15   6   9   5
   4  10   4   9  15   5   4   7   7   3   2   1   3   2   1   1
  12   4   1   4   3  11   4   3   2   7   3   2   1   3   2   1
   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    71    98    38    43    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    48    54    55    65    71    72    77    88    98    99    38    43    44    39    40  
   35    36  
   36  
    0  
   41    42    45    46    68    48    49    50    54    55    65    66    67    71    98    38    43    39    40  
   43    44   100    84    39    40    41    54    65    66    67    71    72    77    78    82    88    98    99  
   40    41    43    54    71    98  
    0  
   42    45    46    47    56    68    73    48    54    55    65  
   45    46    68    54  
   44    65    71    72    77    88    98    99  
   71    98  
   46    47    51    56    68    73    74    69    53    48    49    50    54  
   47    51    52    56    68    73    53    57    61    48    49    50    54    55    65  
   51    52    56    68    69    53    57    58    59    60    61    62    63    64    48    49    50    54  
   49    50    54    55    65    66    67    71    51    53    68  
   50    54    55    65  
   54    55    65  
   52    56    68    73    69    70    75    53    57    61  
   56    68    69    53  
   57    58    59    60    61    62    63    64    56  
   55    65    66    67    71    72    77  
   65    66    67    71  
   68    73    74    69    70    75    76    79  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64  
   63    64  
   64  
    0  
   66    67    71    72    77    78    82    98    84  
   67    71    72    77  
   71    72    77  
   73    74    69    70    75  
   70    75    76    79    80    81    85    73  
   75    76    79  
   72    77    78    82    83    88    98    99    84    89    93  
   77    78    82    98    84  
   74  
    0  
   76    79    80    81    85    86    87    97  
   79    80    81    85  
   78    82    83    88    98   100    84    89    90    91    92    93    94    95    96  
   82    83    88    84    89    93  
   80    81    85    86    87    97   102   106   110  
   81    85    86    87    97  
   85    86    87    97  
   83    88    98    99   100   101   114    84    89    93  
   88    98   100    84  
   89    90    91    92    93    94    95    96    88  
   86    87    97   102   103   104   105   106   107   108   109   110   111   112   113  
   87    97   102   106   110  
   97   102   106   110  
   98    99   100   101   114   115   116  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93  
   94    95    96  
   95    96  
   96  
    0  
  102   103   104   105   106   107   108   109   110   111   112   113  
   99   100   101   114  
  100  
  101   114   115   116  
  114   115   116  
  103   104   105   106   107   108   109   110   111   112   113  
  104   105   106   110  
  105   106   110  
  106   110  
  107   108   109   110   111   112   113  
  108   109   110  
  109   110  
  110  
  111   112   113  
  112   113  
  113  
    0  
  115   116  
  116  
    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   0.432500   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   70   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   77   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   83   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   84   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   85   3.2500   0.1700  -0.032500   2.1950   1.9500   0.003973653   1.685851020
   86   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   87   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   89   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.290000   1.9750   1.7500   0.005000000  -0.741685710
   98   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  100   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  114   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
  115   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
  116   0.5000   0.0300   0.380000   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   317.000  1.510
   33    38   268.000  1.529
   33    39   320.000  1.410
   37    41   465.000  1.376
   37    54   317.000  1.510
   41    42   745.000  1.250
   41    45   320.000  1.460
   45    46   469.000  1.400
   45    68   469.000  1.400
   46    47   469.000  1.400
   46    48   317.000  1.510
   47    51   469.000  1.400
   47    53   481.000  1.340
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    68   469.000  1.400
   56    69   360.000  1.404
   68    73   450.000  1.364
   73    74   553.000  0.945
   69    70   434.000  1.010
   69    75   490.000  1.335
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   367.000  1.471
   85    86   434.000  1.010
   85    87   434.000  1.010
   85    97   367.000  1.471
   97   102   268.000  1.529
   97   106   268.000  1.529
   97   110   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   53    57   382.000  1.448
   53    61   382.000  1.448
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    55   340.000  1.090
   54    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    77   268.000  1.529
   71    38   268.000  1.529
   77    78   340.000  1.090
   77    82   270.000  1.512
   77    84   382.000  1.448
   82    83   745.000  1.250
   82    88   465.000  1.376
   88    98   320.000  1.462
   88   100   410.000  1.444
   98    99   570.000  1.229
   98    38   317.000  1.522
   38    43   320.000  1.410
   43    44   553.000  0.945
  100   101   570.000  1.229
  100   114   490.000  1.335
  114   115   434.000  1.010
  114   116   434.000  1.010
   84    89   382.000  1.448
   84    93   382.000  1.448
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   39    40   553.000  0.945
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  112.20000
   29    33    38    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    41    70.00000  124.00000
   33    37    54    65.00000  117.92700
   33    38    71    58.35000  112.70000
   33    38    98    63.00000  111.10000
   33    38    43    50.00000  109.50000
   33    39    40    55.00000  108.50000
   37    41    42    65.00000  137.10300
   37    41    45    60.00000  123.20500
   37    54    48    70.00000  112.02700
   37    54    55    35.00000  109.50000
   37    54    65    70.00000  112.02700
   41    45    46    60.00000  120.93500
   41    45    68    60.00000  120.93500
   45    41    42    85.00000  114.86500
   45    46    47    63.00000  120.00000
   45    46    48    70.00000  120.00000
   45    68    56    63.00000  120.00000
   45    68    73    70.00000  120.00000
   46    47    51    63.00000  120.00000
   46    47    53    70.00000  120.10000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    54    70.00000  112.17500
   47    51    52    35.00000  120.00000
   47    51    56    63.00000  120.00000
   47    53    57    50.00000  120.00000
   47    53    61    50.00000  120.00000
   51    56    68    63.00000  120.00000
   51    56    69    70.00000  119.01900
   56    51    52    35.00000  120.00000
   56    68    73    70.00000  120.00000
   56    69    70    45.00000  118.23600
   56    69    75    65.00000  121.96500
   68    45    46    63.00000  120.00000
   68    73    74    35.00000  113.00000
   69    56    68    70.00000  119.01900
   69    75    76    80.00000  122.90000
   69    75    79    70.00000  116.60000
   75    69    70    35.00000  119.80000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    85    80.00000  111.20000
   79    75    76    80.00000  120.40000
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    97    75.00000  113.01200
   81    79    80    33.00000  107.80000
   85    79    80    35.00000  109.50000
   85    79    81    35.00000  109.50000
   85    97   102    80.00000  111.20000
   85    97   106    80.00000  111.20000
   85    97   110    80.00000  111.20000
   87    85    86    35.00000  109.50000
   97    85    86    35.00000  109.50000
   97    85    87    35.00000  109.50000
   97   102   103    37.50000  110.70000
   97   102   104    37.50000  110.70000
   97   102   105    37.50000  110.70000
   97   106   107    37.50000  110.70000
   97   106   108    37.50000  110.70000
   97   106   109    37.50000  110.70000
   97   110   111    37.50000  110.70000
   97   110   112    37.50000  110.70000
   97   110   113    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106    97   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  110    97   102    58.35000  112.70000
  110    97   106    58.35000  112.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   53    47    51    70.00000  120.10000
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    60    35.00000  109.50000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    53    57    50.00000  115.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   48    46    47    70.00000  120.00000
   48    54    55    37.50000  110.70000
   48    54    65    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    37    41    70.00000  124.00000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    65    66    37.50000  110.70000
   54    65    67    37.50000  110.70000
   54    65    71    58.35000  112.70000
   65    54    55    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    77    58.35000  112.70000
   65    71    38    58.35000  112.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    82    70.00000  112.02700
   71    77    84    56.20000  109.47000
   71    38    98    63.00000  111.10000
   71    38    43    50.00000  109.50000
   77    71    72    37.50000  110.70000
   77    82    83    85.00000  112.85300
   77    82    88    65.00000  122.18000
   77    84    89    51.80000  107.20000
   77    84    93    51.80000  107.20000
   82    77    78    45.00000  110.52000
   82    88    98    60.00000  125.92000
   82    88   100    60.00000  120.04000
   88    82    83    65.00000  137.10300
   88    98    99    80.00000  123.72100
   88    98    38    65.00000  118.62400
   88   100   101    80.00000  125.30000
   88   100   114    80.00000  111.56200
   98    38    43    90.00000  109.61100
   38    33    37    70.00000  112.02700
   38    71    72    37.50000  110.70000
   38    71    77    58.35000  112.70000
   38    98    99    80.00000  120.40000
   38    43    44    55.00000  108.50000
  100    88    98    55.00000  123.68000
  100   114   115    35.00000  119.80000
  100   114   116    35.00000  119.80000
  114   100   101    80.00000  122.90000
  116   114   115    35.00000  120.00000
   84    77    78    35.00000  109.50000
   84    77    82    75.00000  110.70900
   84    89    90    35.00000  109.50000
   84    89    91    35.00000  109.50000
   84    89    92    35.00000  109.50000
   84    93    94    35.00000  109.50000
   84    93    95    35.00000  109.50000
   84    93    96    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    84    89    51.80000  107.20000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   39    33    37    90.00000  110.39200
   39    33    38    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
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   78    77    84    89   0.28000  1.0 3.0
   78    77    84    93   0.28000  1.0 3.0
   82    77    84    89  -0.60800  1.0 1.0
   82    77    84    89   1.10050 -1.0 2.0
   82    77    84    89   0.47000  1.0 3.0
   82    77    84    93  -0.60800  1.0 1.0
   82    77    84    93   1.10050 -1.0 2.0
   82    77    84    93   0.47000  1.0 3.0
   82    88    98    99   1.00000 -1.0 2.0
   82    88    98    38  -0.33500  1.0 1.0
   82    88    98    38   1.06600 -1.0 2.0
   82    88    98    38  -0.14000  1.0 3.0
   82    88   100   101   1.00000 -1.0 2.0
   82    88   100   114   0.49500  1.0 1.0
   82    88   100   114   1.31600 -1.0 2.0
   82    88   100   114  -0.02300  1.0 3.0
   83    82    88    98   7.00000 -1.0 2.0
   83    82    88   100   7.00000 -1.0 2.0
   88    98    38    33   0.65300  1.0 1.0
   88    98    38    33  -0.03850 -1.0 2.0
   88    98    38    33   0.33900  1.0 3.0
   88    98   -38    71   0.65300  1.0 1.0
   88    98   -38    71  -0.03850 -1.0 2.0
   88    98   -38    71   0.33900  1.0 3.0
   88    98    38    43   0.65300  1.0 1.0
   88    98    38    43  -0.03850 -1.0 2.0
   88    98    38    43   0.33900  1.0 3.0
   88   100   114   115   2.56700 -1.0 2.0
   88   100   114   116   2.56700 -1.0 2.0
   98    88   100   101   2.50000 -1.0 2.0
   98    88   100   114   1.50000 -1.0 2.0
   98    38    43    44   0.91850  1.0 1.0
   98    38    43    44   0.57950  1.0 3.0
   99    98    38    33   0.30150 -1.0 2.0
   99    98    38    71   0.30150 -1.0 2.0
   99    98    38    43   0.30150 -1.0 2.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33   -37    54   0.46850  1.0 1.0
   38    33   -37    54   0.08550 -1.0 2.0
   38    33   -37    54   0.09800  1.0 3.0
   38    33    39    40  -0.11600  1.0 1.0
   38    33    39    40  -0.09450 -1.0 2.0
   38    33    39    40   0.21250  1.0 3.0
   38    71    77    78   0.15000  1.0 3.0
   38    71   -77    82   0.34400  1.0 1.0
   38    71   -77    82   0.09450 -1.0 2.0
   38    71   -77    82   0.11100  1.0 3.0
   38    71    77    84   1.85550  1.0 1.0
   38    71    77    84  -0.84100 -1.0 2.0
  100    88    98    99   2.50000 -1.0 2.0
  100    88    98    38   1.50000 -1.0 2.0
  101   100   114   115   2.45000 -1.0 2.0
  101   100   114   116   2.45000 -1.0 2.0
   84    77    82    83   0.09700  1.0 1.0
   84    77    82    83   0.15600 -1.0 2.0
   84    77    82    83  -0.50800  1.0 3.0
   84    77    82    88   0.90200  1.0 1.0
   84    77    82    88   0.57900 -1.0 2.0
   84    77    82    88  -0.62100  1.0 3.0
   89    84    93    94   0.28000  1.0 3.0
   89    84    93    95   0.28000  1.0 3.0
   89    84    93    96   0.28000  1.0 3.0
   93    84    89    90   0.28000  1.0 3.0
   93    84    89    91   0.28000  1.0 3.0
   93    84    89    92   0.28000  1.0 3.0
   39    33    37    41   0.67800  1.0 1.0
   39    33    37    41   0.47050 -1.0 2.0
   39    33    37    41  -0.62500  1.0 3.0
   39    33    37    54   0.18000  1.0 1.0
   39    33    37    54   0.16450 -1.0 2.0
   39    33    37    54   0.04450  1.0 3.0
   39    33    38    71   0.86500  1.0 1.0
   39    33    38    71  -0.17500 -1.0 2.0
   39    33    38    71   0.20800  1.0 3.0
   39    33    38    98  -0.09450  1.0 1.0
   39    33    38    98  -1.12950 -1.0 2.0
   39    33    38    98   0.54000  1.0 3.0
   39    33    38    43   3.75450  1.0 1.0
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
   33    54    37    41   1.10000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   46    68    45    41   4.00000 -1.0 2.0
   47    48    46    45   4.00000 -1.0 2.0
   51    53    47    46   4.00000 -1.0 2.0
   56    52    51    47   1.10000 -1.0 2.0
   68    69    56    51   4.00000 -1.0 2.0
   56    73    68    45   4.00000 -1.0 2.0
   70    75    69    56   1.00000 -1.0 2.0
   69    79    75    76  10.50000 -1.0 2.0
   61    47    53    57   1.00000 -1.0 2.0
   77    83    82    88   1.10000 -1.0 2.0
   98   100    88    82   1.10000 -1.0 2.0
   88    38    98    99  10.50000 -1.0 2.0
   88   114   100   101  10.50000 -1.0 2.0
  116   100   114   115   1.00000 -1.0 2.0
END
