* LIGAND DATABASE FILE (OPLS2005)
*
001     118   122    220    344     633
    1     0 S   NP   _N1_     1    28.33245    92.26545   -23.93182
    2     1 S   H    _HN1     2     1.02833    25.90964    46.31351
    3     1 S   H    _H1_     3     1.02783    84.79301  -160.47708
    4     1 S   H    _H2_     4     1.02979   104.62154   -53.00821
    5     1 S   CT   _CA1     5     1.50141   132.67371    84.00361
    6     5 S   HC   _HA1     6     1.09559   105.36256    43.38358
    7     5 S   CO3  _C1_     7     1.53888   111.96055   -77.05197
    8     7 S   O2Z  _O11     8     1.26426   115.16075   -51.32390
    9     7 S   O2Z  _O12     9     1.26243   114.90104   127.72411
   10     5 S   CT   _CB1    10     1.53006   107.27850   161.36629
   11    10 S   HC   HB11    11     1.09826   109.82358   -49.07506
   12    10 S   HC   HB12    12     1.09611   109.86161    67.26492
   13    10 S   CT   _CG1    13     1.53001   112.93132  -170.23747
   14    13 S   HC   HG11    14     1.09610   110.63932   -56.21563
   15    13 S   HC   HG12    15     1.09612   109.98699    63.10420
   16    13 S   C    _CD1    16     1.51799   111.93635  -175.93630
   17    16 S   O    _OE1    17     1.22795   123.32819     3.36569
   18    16 S   N    _N2_    18     1.38532   112.08717  -177.65482
   19    18 S   H    _HN2    19     1.01539   119.57389     4.44797
   20    18 S   CT1  _CA2    20     1.45667   122.07334  -172.32865
   21    20 S   HC   _HA2    21     1.09680   107.70549    35.74352
   22    20 S   C    _C2_    22     1.52897   108.21541   -81.54934
   23    22 S   O    _O2_    23     1.22944   123.10102   -27.69615
   24    20 S   CT   _CB2    32     1.53476   113.27366   157.71893
   25    24 S   HC   HB21    33     1.09574   110.26999    69.59768
   26    24 S   HC   HB22    34     1.09427   108.76629  -172.05048
   27    22 S   N    _N3_    24     1.38507   112.40154   155.13820
   28    27 S   H    _HN3    25     1.01650   120.33214    -2.36049
   29    24 S   S    _SG2    35     1.82312   111.91818   -50.58283
   30    27 S   CT   _CA3    26     1.45334   122.57524   178.62087
   31    30 S   HC   HA31    27     1.09562   107.84073   -55.65083
   32    30 S   HC   HA32    28     1.09559   107.60870    60.72391
   33    29 S   CT   _C24    36     1.84136   102.04020  -162.56398
   34    30 S   CO3  _C3_    29     1.52905   114.21567  -177.52963
   35    34 S   O2Z  _O31    30     1.26353   116.02824     0.75121
   36    34 S   O2Z  _O32    31     1.26422   114.43205  -179.29779
   37    33 S   CM   _C23    37     1.51369   110.13082   100.33712
   38    33 S   CT   _C25   115     1.52849   116.31181   -33.09293
   39    38 S   HC   _H17   116     1.09604   111.61120   -51.76022
   40    38 S   HC   _H18   117     1.09724   111.01728  -170.75414
   41    38 S   HC   _H19   118     1.09419   112.67847    69.51757
   42    37 S   CMA  _C22    38     1.35379   110.76964   108.42916
   43    42 S   OM   _O33    39     1.25889   133.68656   177.60927
   44    37 S   CM   _C26   110     1.45018   121.01188   -75.28519
   45    44 S   HC   _H20   111     1.08640   116.34832   -36.53785
   46    42 S   NI   _N7_    40     1.38100   111.34316     0.07402
   47    44 S   CM   _C27   112     1.33835   125.85052   142.12288
   48    47 S   HC   _H21   113     1.08475   120.23406  -179.33884
   49    47 S   HC   _H22   114     1.08435   122.29135     0.31959
   50    33 S   CD   _C21    41     1.52478   106.87144  -157.37291
   51    50 S   CM   _C20    42     1.48027   120.47020    74.32544
   52    51 S   HC   _H16    43     1.08406   114.76559    64.33577
   53    51 S   CM   _C19    44     1.33878   124.04954  -116.36387
   54    53 S   CT   _C18    45     1.51284   124.25324  -177.16939
   55    54 S   HC   _H6_    46     1.10055   106.90470   -98.64627
   56    54 S   CT   _C17    47     1.53614    99.73292   149.04427
   57    56 S   HC   _H5_    48     1.09195   109.64324   146.62495
   58    54 S   CT   _C28   106     1.52259   117.81107    22.16736
   59    58 S   HC   _H23   107     1.09443   112.49270    53.53685
   60    58 S   HC   _H24   108     1.09569   110.69820   -66.64991
   61    58 S   HC   _H25   109     1.09458   110.49563   175.23231
   62    56 S   CD   _C16    49     1.52646    98.03189    30.58562
   63    56 S   CT   _C29    97     1.54293   116.03871   -85.35308
   64    63 S   HC   _H26    98     1.09740   110.67305    31.57878
   65    63 S   HC   _H27    99     1.09719   109.70176   146.88071
   66    62 S   CM   _C15    50     1.48768   122.49658   153.80817
   67    53 S   NI   _N6_    96     1.37760   125.72897     2.59774
   68    63 S   CT   _C30   100     1.52811   113.13449   -91.99354
   69    68 S   HC   _H28   101     1.09536   109.59411   -54.35672
   70    68 S   HC   _H29   102     1.09375   110.54288    63.29576
   71    66 S   CM   _C32    51     1.34859   129.40346     3.37910
   72    68 S   CO3  _C31   103     1.53282   115.28308  -175.58031
   73    72 S   O2Z  _O35   104     1.26548   113.98141   174.78789
   74    72 S   O2Z  _O34   105     1.26104   116.73257    -5.61095
   75    71 S   CO4  _C33    52     1.49194   106.55643  -175.89678
   76    75 S   O    _O36    53     1.21527   126.56030   179.85463
   77    71 S   CO4  _C34    89     1.46232   131.52019     1.42189
   78    77 S   O    _O37    90     1.21985   123.96915    92.71495
   79    75 S   CM   _C13    54     1.44274   107.08200     0.66293
   80    77 S   OS   _O38    91     1.35770   108.18124   -90.30186
   81    66 S   CM   _C14    55     1.43389   122.76282  -171.64586
   82    80 S   CT   _C35    92     1.43043   115.20649  -176.48615
   83    82 S   HC   _H30    93     1.09329   108.06674   174.02079
   84    82 S   HC   _H31    94     1.09438   110.62318    55.27974
   85    82 S   HC   _H32    95     1.09342   110.11983   -67.42235
   86    81 S   NE   _N5_    56     1.35977   136.07652     1.49043
   87    86 S   H    _H15    57     1.01275   122.02475     6.94710
   88    86 S   CT   _C11    58     1.47719   110.48336   167.34936
   89    88 S   HC   _H3_    59     1.09640   107.34253  -102.83557
   90    79 S   CT   _C12    60     1.47927   140.40326   174.85208
   91    90 S   HC   _H4_    61     1.09630   110.57574   -53.38376
   92    88 S   CT   _C10    66     1.52754   112.13301   135.84388
   93    92 S   HC   _H13    67     1.09643   110.71114   -43.87008
   94    92 S   HC   _H14    68     1.09686   109.83479  -161.48523
   95    90 S   CT   _C36    62     1.52405   110.71319    67.97647
   96    95 S   HC   _H33    63     1.09562   112.00886    60.23347
   97    95 S   HC   _H34    64     1.09614   110.71141   -59.71250
   98    95 S   HC   _H35    65     1.09433   111.01890  -178.49416
   99    92 S   C5A  _C9_    69     1.49678   112.70211    79.60911
  100    99 S   C5BC _C6_    70     1.38396   131.52957  -102.91530
  101   100 S   C5BC _C7_    71     1.43866   107.09325  -176.85160
  102   100 S   CT   _C5_    82     1.49593   126.23958     1.62558
  103   102 S   HC   _H10    83     1.09594   110.08097    33.56281
  104   102 S   HC   _H11    84     1.09259   109.50485   149.99634
  105   101 S   C5A  _C8_    72     1.38864   107.26549     1.20593
  106   101 S   CT   _C38    78     1.48913   125.50668   179.22620
  107   106 S   HC   _H37    79     1.09358   110.57839    48.16227
  108   106 S   HC   _H38    80     1.09328   112.20389   167.65427
  109   106 S   HC   _H39    81     1.09451   110.20444   -71.73526
  110   102 S   CT   _C4_    85     1.52085   112.35989   -88.61609
  111   110 S   HC   _H7_    86     1.09522   111.17793   -60.23489
  112   110 S   HC   _H8_    87     1.09426   110.33641   179.89721
  113   110 S   HC   _H9_    88     1.09513   111.27457    59.96701
  114    99 S   NA   _N4_    73     1.37122   120.82458    79.61526
  115   114 S   H    _H12    74     1.01206   124.82681    -2.48585
  116   105 S   CO4  _C37    75     1.44293   130.02358   176.76021
  117   116 S   O    _O39    76     1.22871   124.80530  -177.11554
  118   116 S   HC   _H36    77     1.10230   115.94833     2.37545
  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
