* LIGAND DATABASE FILE (OPLS2005)
*
001     118   122    220    344     633
    1     0 S   NP   _N1_     1    29.52486    98.27029   -24.29205
    2     1 S   H    _HN1     2     1.02832    49.55836   168.92346
    3     1 S   H    _H1_     3     1.02781   115.70685   -98.91805
    4     1 S   H    _H2_     4     1.02952    57.93544    -2.54207
    5     1 S   CT   _CA1     5     1.50112   131.87710    86.93818
    6     5 S   HC   _HA1     6     1.09573   105.21385   112.88764
    7     5 S   CO3  _C1_     7     1.53814   112.43292    -7.34986
    8     7 S   O2Z  _O11     8     1.26374   114.99174   -42.81552
    9     7 S   O2Z  _O12     9     1.26236   114.96611   136.32632
   10     5 S   CT   _CB1    10     1.53097   107.43205  -129.11962
   11    10 S   HC   HB11    11     1.09825   109.45260   -49.88984
   12    10 S   HC   HB12    12     1.09811   110.42979    66.76466
   13    10 S   CT   _CG1    13     1.52934   112.50657  -170.87659
   14    13 S   HC   HG11    14     1.09583   110.50661   -64.51914
   15    13 S   HC   HG12    15     1.09672   109.85831    54.64619
   16    13 S   C    _CD1    16     1.51783   112.40930   175.25554
   17    16 S   O    _OE1    17     1.22724   123.45170     5.05493
   18    16 S   N    _N2_    18     1.38485   111.50850  -175.15758
   19    18 S   H    _HN2    19     1.01589   119.00532     1.13263
   20    18 S   CT1  _CA2    20     1.46101   123.13702   179.62258
   21    20 S   HC   _HA2    21     1.09754   108.40850    30.93952
   22    20 S   C    _C2_    22     1.53127   110.18995   -85.21971
   23    22 S   O    _O2_    23     1.23152   120.94269   158.03279
   24    20 S   CT   _CB2    32     1.53314   110.95578   153.45034
   25    24 S   HC   HB21    33     1.09322   109.53709    53.50507
   26    24 S   HC   HB22    34     1.09482   110.46233   172.06887
   27    22 S   N    _N3_    24     1.38099   114.69815   -28.09055
   28    27 S   H    _HN3    25     1.01569   119.54675     3.42200
   29    24 S   S    _SG2    35     1.83316   109.89550   -69.22819
   30    27 S   CT   _CA3    26     1.45248   123.06031  -178.16453
   31    30 S   HC   HA31    27     1.09557   108.00955   -51.18257
   32    30 S   HC   HA32    28     1.09531   107.55810    65.21646
   33    29 S   CT   _C24    36     1.82386   102.76657   146.34985
   34    30 S   CO3  _C3_    29     1.52908   114.10853  -173.03407
   35    34 S   O2Z  _O31    30     1.26363   116.09425     3.50660
   36    34 S   O2Z  _O32    31     1.26429   114.44306  -176.58499
   37    33 S   CM   _C23    37     1.51005   113.52282   -60.34320
   38    33 S   CT   _C25   115     1.53125   110.08232   172.13032
   39    38 S   HC   _H17   116     1.09615   111.91453   -58.30196
   40    38 S   HC   _H18   117     1.09721   111.22024  -177.38304
   41    38 S   HC   _H19   118     1.09602   112.05888    62.47160
   42    37 S   CMA  _C22    38     1.35276   110.16167   121.79508
   43    42 S   OM   _O33    39     1.25876   133.65543   176.80359
   44    37 S   CM   _C26   110     1.44908   121.48762   -61.70954
   45    44 S   HC   _H20   111     1.08641   116.49496   -38.48595
   46    42 S   NI   _N7_    40     1.38163   111.28187    -3.10318
   47    44 S   CM   _C27   112     1.33858   125.30962   139.42240
   48    47 S   HC   _H21   113     1.08516   120.30048  -178.90496
   49    47 S   HC   _H22   114     1.08478   122.18129     0.71409
   50    33 S   CD   _C21    41     1.51932   112.42330    47.65815
   51    50 S   CM   _C20    42     1.48657   120.65891    59.79462
   52    51 S   HC   _H16    43     1.08264   116.75964    36.84467
   53    51 S   CM   _C19    44     1.34109   121.74997  -140.67054
   54    53 S   CT   _C18    45     1.51235   126.05873   179.61336
   55    54 S   HC   _H6_    46     1.10048   106.79775   -97.63373
   56    54 S   CT   _C17    47     1.54221   100.17794   150.23052
   57    56 S   HC   _H5_    48     1.09395   110.33045   143.73487
   58    54 S   CT   _C28   106     1.52176   117.21602    22.66671
   59    58 S   HC   _H23   107     1.09433   112.52078    54.74651
   60    58 S   HC   _H24   108     1.09574   110.67333   -65.34812
   61    58 S   HC   _H25   109     1.09446   110.50911   176.55383
   62    56 S   CD   _C16    49     1.52696    98.29115    28.65887
   63    56 S   CT   _C29    97     1.54357   115.76002   -88.11623
   64    63 S   HC   _H26    98     1.09731   110.81341    32.24553
   65    63 S   HC   _H27    99     1.09659   109.73823   147.36728
   66    62 S   CM   _C15    50     1.48380   122.94717   157.69349
   67    53 S   NI   _N6_    96     1.37294   124.15357    -0.79105
   68    63 S   CT   _C30   100     1.53004   112.97236   -91.23002
   69    68 S   HC   _H28   101     1.09555   109.84357   -51.06755
   70    68 S   HC   _H29   102     1.09383   110.29376    66.45680
   71    66 S   CM   _C32    51     1.34922   124.52075  -171.94626
   72    68 S   CO3  _C31   103     1.53276   115.61198  -172.21351
   73    72 S   O2Z  _O35   104     1.26539   114.01229  -178.06720
   74    72 S   O2Z  _O34   105     1.26085   116.68239     1.93947
   75    71 S   CO4  _C33    52     1.49286   106.24366  -177.71544
   76    75 S   O    _O36    53     1.21514   126.88845   179.23895
   77    71 S   CO4  _C34    89     1.46709   129.14907     2.59865
   78    77 S   O    _O37    90     1.22062   123.95285    54.90809
   79    75 S   CM   _C13    54     1.44640   107.04503    -1.63087
   80    77 S   OS   _O38    91     1.35683   108.60396  -126.01533
   81    66 S   CM   _C14    55     1.42778   127.32361     8.34673
   82    80 S   CT   _C35    92     1.43159   115.68599   179.17244
   83    82 S   HC   _H30    93     1.09326   108.04664  -158.24310
   84    82 S   HC   _H31    94     1.09281   109.21371    83.61629
   85    82 S   HC   _H32    95     1.09425   111.79881   -38.97432
   86    81 S   NE   _N5_    56     1.35463   136.73478    -0.13122
   87    86 S   H    _H15    57     1.00833   123.73546     6.56283
   88    86 S   CT   _C11    58     1.47119   111.30913   171.79438
   89    88 S   HC   _H3_    59     1.09870   107.61266  -103.71448
   90    79 S   CT   _C12    60     1.48402   140.68462  -179.49876
   91    90 S   HC   _H4_    61     1.09632   110.41875   -58.58963
   92    88 S   CT   _C10    66     1.53256   111.11598   135.89640
   93    92 S   HC   _H13    67     1.09564   110.11830   -59.18343
   94    92 S   HC   _H14    68     1.09674   109.72308  -176.82966
   95    90 S   CT   _C36    62     1.52287   111.44304    63.08359
   96    95 S   HC   _H33    63     1.09556   112.06034    56.21307
   97    95 S   HC   _H34    64     1.09598   110.58809   -63.52864
   98    95 S   HC   _H35    65     1.09452   110.92658   177.45632
   99    92 S   C5A  _C9_    69     1.50125   112.20916    62.53525
  100    99 S   C5BC _C6_    70     1.38734   131.41027  -117.50517
  101   100 S   C5BC _C7_    71     1.43841   107.00517   176.48041
  102   100 S   CT   _C5_    82     1.49793   126.61184    -2.95539
  103   102 S   HC   _H10    83     1.09637   109.67565  -150.55329
  104   102 S   HC   _H11    84     1.09640   109.81403   -34.72930
  105   101 S   C5A  _C8_    72     1.38784   107.29940     2.28918
  106   101 S   CT   _C38    78     1.48950   126.45169  -178.04055
  107   106 S   HC   _H37    79     1.09457   111.08912   141.90883
  108   106 S   HC   _H38    80     1.09449   110.13316   -97.85408
  109   106 S   HC   _H39    81     1.09400   111.60358    22.49158
  110   102 S   CT   _C4_    85     1.52004   112.79532    87.47821
  111   110 S   HC   _H7_    86     1.09402   111.10120   -63.07880
  112   110 S   HC   _H8_    87     1.09455   110.24856   177.42915
  113   110 S   HC   _H9_    88     1.09504   111.42028    57.36626
  114    99 S   NA   _N4_    73     1.37121   121.09706    62.18413
  115   114 S   H    _H12    74     1.01087   125.01417     0.88867
  116   105 S   CO4  _C37    75     1.44260   129.75645   179.70926
  117   116 S   O    _O39    76     1.22841   124.69911  -177.23841
  118   116 S   HC   _H36    77     1.10294   115.78605     2.31528
  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
  15   2   1   1  14   8   3   2   1   7   3   6   3   4   2   1
   1   5   8   3  12  14   9  17   8   6   2   1   1  12  10   5
   4  13   2   5   4   3  10   2   1   1  11   4   8   2  12   4
   8   3   2   1   1  10   4  13   7   9   5  10   4   3   3   2
   1   1  11  16  14   9   5   4   9   5   2   1   1   3   2   1
   1   4   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    50    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    46    50    51    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    50    51    52    53    44    45    47    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    50    51    44    45    47    48    49    38    39    40    41  
   39    40    41    42    44    46    50    51  
   40    41    50  
   41    50  
   50  
   43    46    50    51    44    45    47  
   46    50    44  
   45    47    48    49    46    50  
   47    48    49  
   50    51    52    53  
   48    49  
   49  
    0  
   51    52    53    54    67  
   52    53    54    55    56    62    67    58  
   53    54    67  
   54    55    56    57    62    66    67    63    58    59    60    61  
   55    56    57    62    66    67    63    64    65    68    58    59    60    61  
   56    57    62    67    63    58    59    60    61  
   57    62    66    71    81    67    63    64    65    68    69    70    72    58    59    60    61  
   62    66    67    63    64    65    68    58  
   59    60    61    62    63    67  
   60    61  
   61  
    0  
   66    71    75    79    81    86    77    67    63    64    65    68  
   64    65    68    69    70    72    73    74    66    67  
   65    68    69    70    72  
   68    69    70    72  
   71    75    76    79    81    86    87    88    90    77    78    80    67  
   71    81  
   69    70    72    73    74  
   70    72    73    74  
   72    73    74  
   75    76    79    81    86    90    77    78    80    82  
   73    74  
   74  
    0  
   76    79    81    86    88    90    91    95    77    78    80  
   79    81    90    77  
   78    80    82    83    84    85    79    81  
   80    82  
   81    86    87    88    89    90    91    95    96    97    98    92  
   82    83    84    85  
   86    87    88    89    90    91    95    92  
   83    84    85  
   84    85  
   85  
    0  
   87    88    89    90    91    95    92    93    94    99  
   88    89    90    92  
   89    90    91    95    96    97    98    92    93    94    99   100   114  
   90    91    95    92    93    94    99  
   91    95    96    97    98    92    93    94    99  
   95    96    97    98    92  
   93    94    99   100   101   105   114   115   102    95  
   94    99   100   114  
   99   100   114  
   96    97    98  
   97    98  
   98  
    0  
  100   101   105   114   115   116   106   102   103   104   110  
  101   105   114   115   116   106   107   108   109   102   103   104   110   111   112   113  
  105   114   115   116   117   118   106   107   108   109   102   103   104   110  
  103   104   110   111   112   113   105   106   114  
  104   110   111   112   113  
  110   111   112   113  
  114   115   116   117   118   106   107   108   109  
  107   108   109   114   116  
  108   109  
  109  
    0  
  111   112   113  
  112   113  
  113  
    0  
  115   116   117   118  
  116  
  117   118  
  118  
    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   0.203600   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2800   0.1700  -0.912200   1.8540   1.6400   0.005000000   0.000000000
   47   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   67   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   68   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   87   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
  100   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
  101   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
  102   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5500   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
  106   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   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   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
  115   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
  116   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
  117   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
  118   2.4200   0.0150   0.000000   1.3810   1.2100   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    50   270.000  1.508
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   380.000  1.444
   42    43   745.000  1.250
   42    46   405.000  1.380
   46    50   500.000  1.261
   50    51   320.000  1.464
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   317.000  1.510
   53    67   405.000  1.380
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   268.000  1.529
   56    57   340.000  1.090
   56    62   270.000  1.508
   56    63   268.000  1.529
   62    66   320.000  1.464
   62    67   500.000  1.261
   66    71   549.000  1.340
   66    81   380.000  1.444
   71    75   320.000  1.462
   71    77   320.000  1.462
   75    76   570.000  1.229
   75    79   320.000  1.462
   79    81   549.000  1.340
   79    90   317.000  1.510
   81    86   425.000  1.378
   86    87   434.000  1.010
   86    88   382.000  1.448
   88    89   340.000  1.090
   88    90   268.000  1.529
   88    92   268.000  1.529
   90    91   340.000  1.090
   90    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    99   295.000  1.489
   99   100   546.000  1.367
   99   114   427.000  1.381
  100   101   469.000  1.424
  100   102   285.000  1.502
  101   105   546.000  1.367
  101   106   285.000  1.502
  105   114   427.000  1.381
  105   116   335.000  1.450
  114   115   434.000  1.010
  116   117   570.000  1.229
  116   118   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   110   268.000  1.529
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   77    78   570.000  1.229
   77    80   214.000  1.327
   80    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   317.000  1.522
   72    73   656.000  1.250
   72    74   656.000  1.250
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   44    45   340.000  1.080
   44    47   549.000  1.340
   47    48   340.000  1.080
   47    49   340.000  1.080
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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  112.20000
   29    33    50    75.00000  114.43000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    70.00000  124.00000
   33    50    46    65.00000  122.10100
   33    50    51    65.00000  117.24000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    46    70.00000  120.83400
   37    44    45    35.00000  120.00000
   37    44    47    70.00000  123.01800
   42    46    50    75.00000  115.77100
   46    42    43    65.00000  121.00000
   46    50    51    70.00000  121.86000
   50    33    37    70.00000  110.51600
   50    51    52    40.00000  114.85300
   50    51    53    60.00000  120.31500
   51    53    54    70.00000  124.00000
   51    53    67    70.00000  120.83400
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  109.50000
   53    54    56    70.00000  112.02700
   53    54    58    70.00000  112.02700
   53    67    62    75.00000  115.77100
   54    56    57    37.50000  110.70000
   54    56    62    70.00000  111.76100
   54    56    63    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   56    54    55    37.50000  110.70000
   56    62    66    60.00000  124.00000
   56    62    67    65.00000  122.10100
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    68    58.35000  112.70000
   62    56    57    45.00000  109.49600
   62    66    71    60.00000  124.00000
   62    66    81    60.00000  124.00000
   66    71    75    65.00000  118.96000
   66    71    77    65.00000  118.96000
   66    81    79    70.00000  123.01800
   66    81    86    70.00000  124.03900
   71    75    76    80.00000  123.72100
   71    75    79    65.00000  118.65900
   71    77    78    80.00000  123.72100
   71    77    80    90.00000  111.29400
   75    79    81    65.00000  118.96000
   75    79    90    65.00000  116.34900
   79    75    76    80.00000  123.72100
   79    81    86    70.00000  124.03900
   79    90    88    70.00000  112.02700
   79    90    91    35.00000  109.50000
   79    90    95    70.00000  112.02700
   81    66    71    70.00000  123.01800
   81    86    87    35.00000  114.50000
   81    86    88    50.00000  121.00000
   86    88    89    35.00000  109.50000
   86    88    90    80.00000  111.61500
   86    88    92    80.00000  111.61500
   88    86    87    35.00000  112.50000
   88    90    91    37.50000  110.70000
   88    90    95    58.35000  112.70000
   88    92    93    37.50000  110.70000
   88    92    94    37.50000  110.70000
   88    92    99    70.00000  113.44400
   90    79    81    70.00000  124.00000
   90    88    89    37.50000  110.70000
   90    95    96    37.50000  110.70000
   90    95    97    37.50000  110.70000
   90    95    98    37.50000  110.70000
   95    90    91    37.50000  110.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   92    88    89    37.50000  110.70000
   92    88    90    58.35000  112.70000
   92    99   100    50.00000  133.50000
   92    99   114    65.00000  122.56900
   94    92    93    33.00000  107.80000
   99    92    93    45.00000  110.47400
   99    92    94    45.00000  110.47400
   99   100   101    70.00000  107.30000
   99   100   102    60.00000  130.00000
   99   114   105    70.00000  109.80000
   99   114   115    35.00000  120.00000
  100   101   105    70.00000  107.30000
  100   101   106    60.00000  130.00000
  100   102   103    35.00000  109.50000
  100   102   104    35.00000  109.50000
  100   102   110    70.00000  112.17500
  101   105   114    70.00000  107.70000
  101   105   116    55.00000  130.80000
  101   106   107    35.00000  109.50000
  101   106   108    35.00000  109.50000
  101   106   109    35.00000  109.50000
  105   114   115    35.00000  120.00000
  105   116   117    80.00000  122.40000
  105   116   118    35.00000  115.00000
  114    99   100    70.00000  107.70000
  116   105   114    70.00000  119.02500
  118   116   117    35.00000  123.00000
  106   101   105    60.00000  130.00000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  102   100   101    60.00000  130.00000
  102   110   111    37.50000  110.70000
  102   110   112    37.50000  110.70000
  102   110   113    37.50000  110.70000
  104   102   103    33.00000  107.80000
  110   102   103    37.50000  110.70000
  110   102   104    37.50000  110.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   77    71    75    65.00000  115.30000
   77    80    82    83.00000  116.90000
   80    77    78    83.00000  123.40000
   80    82    83    35.00000  109.50000
   80    82    84    35.00000  109.50000
   80    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   67    53    54    65.00000  119.96000
   67    62    66    65.00000  125.00000
   63    56    57    37.50000  110.70000
   63    56    62    70.00000  111.76100
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    72    70.00000  109.69300
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    72    73    70.00000  117.00000
   68    72    74    70.00000  117.00000
   70    68    69    33.00000  107.80000
   72    68    69    35.00000  109.50000
   72    68    70    35.00000  109.50000
   74    72    73    80.00000  126.00000
   58    54    55    37.50000  110.70000
   58    54    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   44    37    42    70.00000  117.34000
   44    47    48    35.00000  120.00000
   44    47    49    35.00000  120.00000
   47    44    45    35.00000  120.00000
   49    47    48    35.00000  117.00000
   38    33    37    70.00000  112.02700
   38    33    50    70.00000  111.76100
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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
    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
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   77    80    82    83   0.08050  1.0 3.0
   77    80    82    84   0.08050  1.0 3.0
   77    80    82    85   0.08050  1.0 3.0
   78    77    80    82   3.00000 -1.0 2.0
   67    53    54    55   0.00000  1.0 1.0
   67    53   -54    56   0.09700  1.0 1.0
   67    53   -54    56   0.15600 -1.0 2.0
   67    53   -54    56  -0.50800  1.0 3.0
   67    53    54    58   0.09700  1.0 1.0
   67    53    54    58   0.15600 -1.0 2.0
   67    53    54    58  -0.50800  1.0 3.0
   67    62    66    71   1.09650  1.0 1.0
   67    62    66    71   0.48950 -1.0 2.0
   67    62    66    71   0.49400  1.0 3.0
   67    62    66    81   1.09650  1.0 1.0
   67    62    66    81   0.48950 -1.0 2.0
   67    62    66    81   0.49400  1.0 3.0
   63    56    62    66   0.09850  1.0 1.0
   63    56    62    66   0.15250 -1.0 2.0
   63    56    62    66  -0.50650  1.0 3.0
   63    56    62    67   0.00000  1.0 1.0
   63    68    72    73   0.41150 -1.0 2.0
   63    68    72    74   0.41150 -1.0 2.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    72  -0.11250  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    72  -0.11250  1.0 3.0
   69    68    72    73   0.00000  1.0 1.0
   69    68    72    74   0.00000  1.0 1.0
   70    68    72    73   0.00000  1.0 1.0
   70    68    72    74   0.00000  1.0 1.0
   58    54    56    57   0.15000  1.0 3.0
   58    54    56    62   0.34400  1.0 1.0
   58    54    56    62   0.09450 -1.0 2.0
   58    54    56    62   0.11100  1.0 3.0
   58    54    56    63   0.56750  1.0 1.0
   58    54    56    63  -0.07550 -1.0 2.0
   58    54    56    63   0.20000  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    46   7.00000 -1.0 2.0
   45    44    47    48   7.00000 -1.0 2.0
   45    44    47    49   7.00000 -1.0 2.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.98200  1.0 1.0
   38    33    37    44  -0.11900 -1.0 2.0
   38    33    37    44   0.24250  1.0 3.0
   38    33    50    46   0.00000  1.0 1.0
   38    33    50    51   0.09850  1.0 1.0
   38    33    50    51   0.15250 -1.0 2.0
   38    33    50    51  -0.50650  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
   33    44    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   33    51    50    46  10.50000 -1.0 2.0
   50    52    51    53   1.10000 -1.0 2.0
   54    67    53    51   1.10000 -1.0 2.0
   56    66    62    67  10.50000 -1.0 2.0
   62    81    66    71   1.10000 -1.0 2.0
   75    77    71    66   1.10000 -1.0 2.0
   71    79    75    76  10.50000 -1.0 2.0
   75    90    79    81   1.10000 -1.0 2.0
   66    86    81    79   1.10000 -1.0 2.0
   87    81    86    88   1.00000 -1.0 2.0
  100   114    99    92   4.00000 -1.0 2.0
  101   102   100    99   4.00000 -1.0 2.0
  105   106   101   100   4.00000 -1.0 2.0
  116   114   105   101   4.00000 -1.0 2.0
  115    99   114   105   1.00000 -1.0 2.0
  105   118   116   117  10.50000 -1.0 2.0
   71    80    77    78  10.50000 -1.0 2.0
   73    68    72    74  10.50000 -1.0 2.0
   37    45    44    47  15.00000 -1.0 2.0
   48    49    47    44  15.00000 -1.0 2.0
END
