* LIGAND DATABASE FILE (OPLS2005)
*
001     119   122    224    344     646
    1     0 S   NP   _N1_     1    28.64166    93.77791   -21.50381
    2     1 S   H    _HN1     2     1.02973    93.27422    30.39068
    3     1 S   H    _H1_     3     1.02827    24.85786   155.47592
    4     1 S   H    _H2_     4     1.02776    93.77892   -78.19571
    5     1 S   CT   _CA1     5     1.50144   135.63598   154.19041
    6     5 S   HC   _HA1     6     1.09579   105.21591    59.63526
    7     5 S   CO3  _C1_     7     1.53775   112.46219   -60.44896
    8     7 S   O2Z  _O11     8     1.26345   115.02958   -42.04177
    9     7 S   O2Z  _O12     9     1.26247   114.92172   137.13522
   10     5 S   CT   _CB1    10     1.53083   107.35911   177.42884
   11    10 S   HC   HB11    11     1.09821   109.16298   -51.79370
   12    10 S   HC   HB12    12     1.09823   110.41602    64.65615
   13    10 S   CT   _CG1    13     1.53011   112.82393  -173.04187
   14    13 S   HC   HG11    14     1.09597   110.30538   -64.77680
   15    13 S   HC   HG12    15     1.09643   110.11671    54.45592
   16    13 S   C    _CD1    16     1.51818   112.27910   174.58825
   17    16 S   O    _OE1    17     1.22719   123.22836    -8.00123
   18    16 S   N    _N2_    18     1.38634   111.71203   172.73080
   19    18 S   H    _HN2    19     1.01578   119.06291     0.93104
   20    18 S   CT1  _CA2    20     1.46180   123.29980  -179.90513
   21    20 S   HC   _HA2    21     1.09740   109.39350    -8.88869
   22    20 S   C    _C2_    22     1.53463   108.39080  -124.47138
   23    22 S   O    _O2_    23     1.23023   122.21369  -145.93416
   24    20 S   CT   _CB2    32     1.53509   111.66991   113.09954
   25    24 S   HC   HB21    33     1.09506   109.61937    55.95712
   26    24 S   HC   HB22    34     1.09359   109.80788   174.43433
   27    22 S   N    _N3_    24     1.38495   113.42703    41.40895
   28    27 S   H    _HN3    25     1.01521   118.92497    -0.63304
   29    24 S   S    _SG2    35     1.83079   111.52755   -64.61379
   30    27 S   CT   _CA3    26     1.45457   123.51605   175.17278
   31    30 S   HC   HA31    27     1.09517   109.32786    22.71769
   32    30 S   HC   HA32    28     1.09497   107.10197   139.73394
   33    29 S   CT   _C20    36     1.85197   101.64709  -166.41826
   34    30 S   CO3  _C3_    29     1.52915   113.03977  -100.82184
   35    34 S   O2Z  _O31    30     1.26407   115.37230   -45.21802
   36    34 S   O2Z  _O32    31     1.26350   115.00386   135.69542
   37    33 S   CT   _C21    37     1.57176   113.24287    65.51915
   38    37 S   HC   _H5_    38     1.09691   110.37951   -93.58919
   39    33 S   CT   _C24   113     1.57038   110.25104   -55.83806
   40    39 S   HC   _H22   114     1.09725   109.95892    69.27609
   41    39 S   HC   _H23   115     1.09832   109.31784  -176.08799
   42    37 S   C    _C22    39     1.51666   102.96499   151.55126
   43    42 S   O    _O34    40     1.22177   125.47125   162.34568
   44    37 S   CT   _C23   109     1.52858   118.68481    32.41825
   45    44 S   HC   _H19   110     1.09241   112.61264    54.34484
   46    44 S   HC   _H20   111     1.09329   111.92746   -68.17188
   47    44 S   HC   _H21   112     1.09653   110.18435   173.15152
   48    39 S   CT   _C25   116     1.52835   116.68034   -54.18456
   49    48 S   HC   _H24   117     1.09282   112.23938   -56.08789
   50    48 S   HC   _H25   118     1.09545   109.46494  -175.24577
   51    48 S   HC   _H26   119     1.09329   112.11985    66.17204
   52    42 S   N    _N7_    41     1.38185   108.08905   -19.28752
   53    52 S   H    _H18    42     1.01499   122.48451  -179.55898
   54    33 S   CT   _C19    43     1.56790   113.29948  -178.02098
   55    54 S   HC   _H4_    44     1.09486   110.90045    96.58682
   56    54 S   CT   _C18    45     1.54166   118.23866   -29.01789
   57    56 S   HC   _H16    46     1.09568   110.54650    59.89942
   58    56 S   HC   _H17    47     1.09452   111.23194   -58.64223
   59    56 S   C5A  _C17    48     1.50130   111.94781   179.27801
   60    59 S   C5BC _C16    49     1.38657   131.35930   -81.75640
   61    60 S   C5BC _C15    50     1.43662   107.08623  -179.18699
   62    60 S   CT   _C26   105     1.48758   126.89757     0.46140
   63    62 S   HC   _H27   106     1.09469   110.17604  -111.65550
   64    62 S   HC   _H28   107     1.09402   111.94569     8.49637
   65    62 S   HC   _H29   108     1.09463   110.53626   128.47565
   66    61 S   C5A  _C14    51     1.38552   106.98557     1.13746
   67    61 S   CT   _C27    96     1.49885   126.57246  -179.62310
   68    67 S   HC   _H30    97     1.09753   109.43028  -146.30925
   69    67 S   HC   _H31    98     1.09716   109.40171   -30.78229
   70    59 S   NA   _N6_    52     1.37282   120.91222    98.61773
   71    70 S   H    _H15    53     1.01114   124.59335    -0.21670
   72    66 S   CM   _C13    54     1.41039   133.78935  -178.58778
   73    72 S   HC   _H14    55     1.08840   115.85392    85.06898
   74    67 S   CT   _C28    99     1.52535   112.17308    91.46548
   75    74 S   HC   _H32   100     1.09764   109.76636    59.53267
   76    74 S   HC   _H33   101     1.09762   109.75299   -57.58683
   77    72 S   CM   _C12    56     1.34399   125.97711   -92.97684
   78    74 S   CO3  _C29   102     1.53081   114.91514  -179.05643
   79    78 S   O2Z  _O36   103     1.26528   114.03726   177.89318
   80    78 S   O2Z  _O35   104     1.26127   116.70351    -2.11600
   81    77 S   CM   _C30    57     1.46201   132.76797    -1.16969
   82    81 S   CM   _C31    58     1.34297   109.80159   178.55856
   83    81 S   CT   _C33    87     1.50062   126.15235    -0.93753
   84    83 S   HC   _H37    88     1.09240   111.04761    36.61872
   85    83 S   HC   _H38    89     1.09792   109.67209   150.48156
   86    82 S   CD   _C11    59     1.46695   101.76113     0.66940
   87    82 S   CT   _C32    83     1.47880   132.85020   179.61235
   88    87 S   HC   _H34    84     1.09434   110.51091   120.18916
   89    87 S   HC   _H35    85     1.09332   112.34187    -0.07133
   90    87 S   HC   _H36    86     1.09449   110.48976  -119.82392
   91    83 S   CT   _C34    90     1.52732   112.02397   -88.92490
   92    91 S   HC   _H39    91     1.09753   109.63094   -70.58380
   93    91 S   HC   _H40    92     1.09596   110.63229    46.63628
   94    77 S   NI   _N5_    60     1.38183   119.56653   178.10866
   95    86 S   CT   _C10    61     1.50591   122.67147  -179.02844
   96    95 S   HC   _H12    62     1.09744   108.31197  -147.68324
   97    95 S   HC   _H13    63     1.09479   108.72046   -31.73115
   98    91 S   CO3  _C35    93     1.53114   114.15074   169.01836
   99    98 S   O2Z  _O38    94     1.26495   114.18358  -158.83586
  100    98 S   O2Z  _O37    95     1.26156   116.44726    21.93527
  101    95 S   CT   _C8_    64     1.52871   110.37275    90.25209
  102   101 S   HC   _H3_    65     1.09571   111.87109   -48.78879
  103   101 S   CM   _C7_    66     1.50596   113.68833  -175.26939
  104   103 S   CM   _C6_    67     1.34349   112.91139  -118.55180
  105   103 S   CT   _C36    79     1.49159   120.03336    63.38381
  106   105 S   HC   _H41    80     1.09404   110.63620   -69.68002
  107   105 S   HC   _H42    81     1.09371   112.34327   169.77490
  108   105 S   HC   _H43    82     1.09486   110.15875    50.25452
  109   104 S   C    _C9_    68     1.48007   106.58960    -0.06853
  110   109 S   O    _O33    69     1.21879   125.29955   179.71196
  111   104 S   CT   _C5_    72     1.48874   131.13514   178.90140
  112   111 S   HC   _H9_    73     1.09649   109.56625  -137.00924
  113   111 S   HC   _H10    74     1.09555   110.61171   -20.62630
  114   101 S   N    _N4_    70     1.43984   111.61125    71.90228
  115   114 S   H    _H11    71     1.01519   123.93011   -60.87346
  116   111 S   CT   _C4_    75     1.52113   111.96540   101.31790
  117   116 S   HC   _H6_    76     1.09532   111.17284   -60.18609
  118   116 S   HC   _H7_    77     1.09476   110.13645  -179.78694
  119   116 S   HC   _H8_    78     1.09510   111.43490    60.53999
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  23   2   1   1  16   9  12   6   5  10   4   5   2   1   1   4
   2   1   1   7   3   7   4   9   4   3  11  13  17   6   2   1
   1  11  10   5   4   4   1   7   3   5   4   3  10   2   1   1
  15  14  11   5   4  12   5   2   1   1   5   4   3   4  10   5
   4   2   1   1  12   6  13  15   6   2   1   1   7   3   7   5
   4   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    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    52    54    55    56    44    39    40    41    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    52    53    54    55    56    57    58    59    44    45    46    47    39    40    41    48    49    50    51  
   35    36  
   36  
    0  
   38    42    43    52    53    54    55    56    44    45    46    47    39    40    41    48  
   42    43    52    54    44    45    46    47    39  
   40    41    48    49    50    51    42    44    52    54    55    56  
   41    48    49    50    51    54  
   48    49    50    51    54  
   43    52    53    54    55    56    44    45    46    47  
   52    53    54    44  
   45    46    47    52    54  
   46    47  
   47  
    0  
   49    50    51    54  
   50    51  
   51  
    0  
   53    54    55    56    57    58    59  
   54    55    56  
   55    56    57    58    59    60    70  
   56    57    58    59  
   57    58    59    60    61    66    70    71    62  
   58    59    60    70  
   59    60    70  
   60    61    66    70    71    72    67    62    63    64    65  
   61    66    70    71    72    67    68    69    74    62    63    64    65  
   66    70    71    72    73    77    67    68    69    74    75    76    78    62    63    64    65  
   63    64    65    66    67    70  
   64    65  
   65  
    0  
   70    71    72    73    77    81    94    67    68    69    74  
   68    69    74    75    76    78    79    80    70    72  
   69    74    75    76    78  
   74    75    76    78  
   71    72    73    77  
   72  
   73    77    81    82    86    94    83  
   77    81    94  
   75    76    78    79    80  
   76    78    79    80  
   78    79    80  
   81    82    86    94    95    87    83    84    85    91  
   79    80  
   80  
    0  
   82    86    94    95    87    88    89    90    83    84    85    91    92    93    98  
   86    94    95    96    97   101    87    88    89    90    83    84    85    91  
   84    85    91    92    93    98    99   100    86    87    94  
   85    91    92    93    98  
   91    92    93    98  
   94    95    96    97   101   102   103   114    87    88    89    90  
   88    89    90    94    95  
   89    90  
   90  
    0  
   92    93    98    99   100  
   93    98    99   100  
   98    99   100  
   95    96    97   101  
   96    97   101   102   103   104   109   114   115   105  
   97   101   102   103   114  
  101   102   103   114  
   99   100  
  100  
    0  
  102   103   104   109   110   114   115   111   105   106   107   108  
  103   104   109   114   115   105  
  104   109   110   114   115   111   112   113   116   105   106   107   108  
  109   110   114   115   111   112   113   116   117   118   119   105   106   107   108  
  106   107   108   109   111   114  
  107   108  
  108  
    0  
  110   114   115   111   112   113   116  
  114   115   111  
  112   113   116   117   118   119   114  
  113   116   117   118   119  
  116   117   118   119  
  115  
    0  
  117   118   119  
  118   119  
  119  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   71   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   78   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   95   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  101   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  104   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  110   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  111   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  115   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  116   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  119   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    54   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   317.000  1.522
   37    44   268.000  1.529
   42    43   570.000  1.229
   42    52   490.000  1.335
   52    53   434.000  1.010
   52    54   337.000  1.449
   54    55   340.000  1.090
   54    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   295.000  1.489
   59    60   546.000  1.367
   59    70   427.000  1.381
   60    61   469.000  1.424
   60    62   285.000  1.502
   61    66   546.000  1.367
   61    67   285.000  1.502
   66    70   427.000  1.381
   66    72   375.000  1.423
   70    71   434.000  1.010
   72    73   340.000  1.080
   72    77   549.000  1.340
   77    81   380.000  1.444
   77    94   405.000  1.380
   81    82   549.000  1.340
   81    83   317.000  1.510
   82    86   320.000  1.464
   82    87   317.000  1.510
   86    94   500.000  1.261
   86    95   270.000  1.508
   95    96   340.000  1.090
   95    97   340.000  1.090
   95   101   268.000  1.529
  101   102   340.000  1.090
  101   103   317.000  1.510
  101   114   337.000  1.449
  103   104   549.000  1.340
  103   105   317.000  1.510
  104   109   410.000  1.444
  104   111   317.000  1.510
  109   110   570.000  1.229
  109   114   490.000  1.335
  114   115   434.000  1.010
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   116   268.000  1.529
  116   117   340.000  1.090
  116   118   340.000  1.090
  116   119   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    98   317.000  1.522
   98    99   656.000  1.250
   98   100   656.000  1.250
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   317.000  1.522
   78    79   656.000  1.250
   78    80   656.000  1.250
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    54    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    37    44    58.35000  112.70000
   33    54    52    70.00000  110.72300
   33    54    55    37.50000  110.70000
   33    54    56    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    48    58.35000  112.70000
   37    42    43    80.00000  120.40000
   37    42    52    70.00000  116.60000
   37    44    45    37.50000  110.70000
   37    44    46    37.50000  110.70000
   37    44    47    37.50000  110.70000
   42    37    38    35.00000  109.50000
   42    52    53    35.00000  119.80000
   42    52    54    50.00000  121.90000
   52    42    43    80.00000  122.90000
   52    54    55    35.00000  109.50000
   52    54    56    70.00000  110.72300
   54    33    37    58.35000  112.70000
   54    52    53    38.00000  118.40000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    59    70.00000  113.44400
   56    54    55    37.50000  110.70000
   56    59    60    50.00000  133.50000
   56    59    70    65.00000  122.56900
   58    56    57    33.00000  107.80000
   59    56    57    45.00000  110.47400
   59    56    58    45.00000  110.47400
   59    60    61    70.00000  107.30000
   59    60    62    60.00000  130.00000
   59    70    66    70.00000  109.80000
   59    70    71    35.00000  120.00000
   60    61    66    70.00000  107.30000
   60    61    67    60.00000  130.00000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    35.00000  109.50000
   61    66    70    70.00000  107.70000
   61    66    72    50.00000  133.16000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    74    70.00000  112.17500
   66    70    71    35.00000  120.00000
   66    72    73    40.00000  117.26300
   66    72    77    55.00000  128.24000
   70    59    60    70.00000  107.70000
   72    66    70    70.00000  120.38000
   72    77    81    70.00000  123.01800
   72    77    94    70.00000  120.83400
   77    72    73    35.00000  120.00000
   77    81    82    70.00000  123.01800
   77    81    83    70.00000  124.00000
   77    94    86    75.00000  115.77100
   81    82    86    60.00000  120.31500
   81    82    87    70.00000  124.00000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    91    70.00000  112.02700
   82    86    94    70.00000  121.86000
   82    86    95    65.00000  117.24000
   82    87    88    35.00000  109.50000
   82    87    89    35.00000  109.50000
   82    87    90    35.00000  109.50000
   86    95    96    45.00000  109.49600
   86    95    97    45.00000  109.49600
   86    95   101    70.00000  111.76100
   94    77    81    70.00000  120.83400
   95    86    94    65.00000  122.10100
   95   101   102    37.50000  110.70000
   95   101   103    70.00000  112.02700
   95   101   114    70.00000  110.72300
   97    95    96    33.00000  107.80000
  101    95    96    37.50000  110.70000
  101    95    97    37.50000  110.70000
  101   103   104    70.00000  124.00000
  101   103   105    65.00000  117.92700
  101   114   109    50.00000  121.90000
  101   114   115    38.00000  118.40000
  103   101   102    35.00000  109.50000
  103   104   109    70.00000  118.70000
  103   104   111    70.00000  124.00000
  103   105   106    35.00000  109.50000
  103   105   107    35.00000  109.50000
  103   105   108    35.00000  109.50000
  104   109   110    80.00000  125.30000
  104   109   114    80.00000  111.56200
  104   111   112    35.00000  109.50000
  104   111   113    35.00000  109.50000
  104   111   116    70.00000  112.02700
  109   114   115    35.00000  119.80000
  114   101   102    35.00000  109.50000
  114   101   103    75.00000  110.78400
  114   109   110    80.00000  122.90000
  111   104   109    70.00000  119.70000
  111   116   117    37.50000  110.70000
  111   116   118    37.50000  110.70000
  111   116   119    37.50000  110.70000
  113   111   112    33.00000  107.80000
  116   111   112    37.50000  110.70000
  116   111   113    37.50000  110.70000
  118   116   117    33.00000  107.80000
  119   116   117    33.00000  107.80000
  119   116   118    33.00000  107.80000
  105   103   104    70.00000  124.00000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   87    82    86    65.00000  117.22000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   83    81    82    70.00000  124.00000
   83    91    92    37.50000  110.70000
   83    91    93    37.50000  110.70000
   83    91    98    70.00000  109.69300
   85    83    84    33.00000  107.80000
   91    83    84    37.50000  110.70000
   91    83    85    37.50000  110.70000
   91    98    99    70.00000  117.00000
   91    98   100    70.00000  117.00000
   93    91    92    33.00000  107.80000
   98    91    92    35.00000  109.50000
   98    91    93    35.00000  109.50000
  100    98    99    80.00000  126.00000
   67    61    66    60.00000  130.00000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    78    70.00000  109.69300
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    78    79    70.00000  117.00000
   74    78    80    70.00000  117.00000
   76    74    75    33.00000  107.80000
   78    74    75    35.00000  109.50000
   78    74    76    35.00000  109.50000
   80    78    79    80.00000  126.00000
   62    60    61    60.00000  130.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    42    63.00000  111.10000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    54    58.35000  112.70000
   39    48    49    37.50000  110.70000
   39    48    50    37.50000  110.70000
   39    48    51    37.50000  110.70000
   41    39    40    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    41    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
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  111   104   109   114   0.42750 -1.0 2.0
  111   104   109   114  -0.48350  1.0 3.0
  112   111   116   117   0.15000  1.0 3.0
  112   111   116   118   0.15000  1.0 3.0
  112   111   116   119   0.15000  1.0 3.0
  113   111   116   117   0.15000  1.0 3.0
  113   111   116   118   0.15000  1.0 3.0
  113   111   116   119   0.15000  1.0 3.0
  105   103   104   109   7.00000 -1.0 2.0
  105   103   104   111   7.00000 -1.0 2.0
   87    82    86    94   7.00000 -1.0 2.0
   87    82    86    95   7.00000 -1.0 2.0
   83    81    82    86   7.00000 -1.0 2.0
   83    81    82    87   7.00000 -1.0 2.0
   83    91    98    99   0.41150 -1.0 2.0
   83    91    98   100   0.41150 -1.0 2.0
   84    83    91    92   0.15000  1.0 3.0
   84    83    91    93   0.15000  1.0 3.0
   84    83    91    98  -0.11250  1.0 3.0
   85    83    91    92   0.15000  1.0 3.0
   85    83    91    93   0.15000  1.0 3.0
   85    83    91    98  -0.11250  1.0 3.0
   92    91    98    99   0.00000  1.0 1.0
   92    91    98   100   0.00000  1.0 1.0
   93    91    98    99   0.00000  1.0 1.0
   93    91    98   100   0.00000  1.0 1.0
   67    61    66    70   3.62500 -1.0 2.0
   67    61    66    72   3.62500 -1.0 2.0
   67    74    78    79   0.41150 -1.0 2.0
   67    74    78    80   0.41150 -1.0 2.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    78  -0.11250  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    78  -0.11250  1.0 3.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   76    74    78    79   0.00000  1.0 1.0
   76    74    78    80   0.00000  1.0 1.0
   62    60    61    66   3.62500 -1.0 2.0
   62    60    61    67   3.62500 -1.0 2.0
   44    37    42    43   0.30150 -1.0 2.0
   44    37    42    52   1.39750  1.0 1.0
   44    37    42    52  -0.07950 -1.0 2.0
   44    37    42    52  -0.18750  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42  -0.95700  1.0 1.0
   39    33    37    42  -0.18200 -1.0 2.0
   39    33    37    42   0.29450  1.0 3.0
   39    33    37    44   0.56750  1.0 1.0
   39    33    37    44  -0.07550 -1.0 2.0
   39    33    37    44   0.20000  1.0 3.0
   39    33    54    52   0.43900  1.0 1.0
   39    33    54    52   0.49100 -1.0 2.0
   39    33    54    52   0.28400  1.0 3.0
   39    33    54    55   0.15000  1.0 3.0
   39    33    54    56   0.56750  1.0 1.0
   39    33    54    56  -0.07550 -1.0 2.0
   39    33    54    56   0.20000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   40    39    48    50   0.15000  1.0 3.0
   40    39    48    51   0.15000  1.0 3.0
   41    39    48    49   0.15000  1.0 3.0
   41    39    48    50   0.15000  1.0 3.0
   41    39    48    51   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    52    42    43  10.50000 -1.0 2.0
   53    42    52    54   1.00000 -1.0 2.0
   60    70    59    56   4.00000 -1.0 2.0
   61    62    60    59   4.00000 -1.0 2.0
   66    67    61    60   4.00000 -1.0 2.0
   72    70    66    61   4.00000 -1.0 2.0
   71    59    70    66   1.00000 -1.0 2.0
   66    73    72    77   1.10000 -1.0 2.0
   81    94    77    72   1.10000 -1.0 2.0
   77    83    81    82   1.10000 -1.0 2.0
   86    87    82    81   1.10000 -1.0 2.0
   82    95    86    94  10.50000 -1.0 2.0
  101   105   103   104   1.10000 -1.0 2.0
  109   111   104   103   1.10000 -1.0 2.0
  104   114   109   110  10.50000 -1.0 2.0
  115   109   114   101   1.00000 -1.0 2.0
   99    91    98   100  10.50000 -1.0 2.0
   79    74    78    80  10.50000 -1.0 2.0
END
