* LIGAND DATABASE FILE (OPLS2005)
*
001     104   108    203    332     613
    1     0 S   NP   _N1_     1    30.52273   102.08820   -17.92465
    2     1 S   H    _HN1     2     1.02834    37.50711    -0.46098
    3     1 S   H    _H1_     3     1.02975    77.03406   142.73186
    4     1 S   H    _H2_     4     1.02782    97.75665  -110.66698
    5     1 S   CT   _CA1     5     1.50667   144.47293    36.78504
    6     5 S   HC   _HA1     6     1.09671   104.39739   159.64728
    7     5 S   CO3  _C1_     7     1.54398   110.94458    44.47228
    8     7 S   O2Z  _O11     8     1.25933   116.85728  -129.03014
    9     7 S   O2Z  _O12     9     1.26640   113.75407    50.38175
   10     5 S   CT   _CB1    10     1.53209   106.83123   -84.30822
   11    10 S   HC   HB11    11     1.09843   109.76219   -40.38770
   12    10 S   HC   HB12    12     1.09762   110.27671    76.29686
   13    10 S   CT   _CG1    13     1.52950   112.55236  -160.93231
   14    13 S   HC   HG11    14     1.09440   111.03717   -65.70475
   15    13 S   HC   HG12    15     1.09470   109.50389    53.30808
   16    13 S   C    _CD1    16     1.51851   112.41199   173.63524
   17    16 S   O    _OE1    17     1.22764   123.30900    12.14892
   18    16 S   N    _N2_    18     1.38502   111.69995  -168.58451
   19    18 S   H    _HN2    19     1.01657   118.83784     4.11495
   20    18 S   CT1  _CA2    20     1.45742   123.35957   179.23792
   21    20 S   HC   _HA2    21     1.09657   109.80395    23.77687
   22    20 S   C    _C2_    22     1.52748   104.75726   -93.70348
   23    22 S   O    _O2_    23     1.22972   122.48447   -81.25916
   24    20 S   CT   _CB2    32     1.53316   111.75208   147.13613
   25    24 S   HC   HB21    33     1.09380   110.87958    50.25470
   26    24 S   HC   HB22    34     1.09580   109.63380   168.01394
   27    22 S   N    _N3_    24     1.38544   112.87826    94.62462
   28    27 S   H    _HN3    25     1.01529   119.64916     3.45944
   29    24 S   S    _SG2    35     1.83207   111.21430   -74.26895
   30    27 S   CT   _CA3    26     1.45418   122.78533   179.81655
   31    30 S   HC   HA31    27     1.09549   108.79984    33.35253
   32    30 S   HC   HA32    28     1.09483   107.22037   150.29854
   33    29 S   CT   _C17    36     1.86538   102.09981   118.99522
   34    30 S   CO3  _C3_    29     1.52987   113.58746   -89.75071
   35    34 S   O2Z  _O31    30     1.26372   115.69137   -37.60807
   36    34 S   O2Z  _O32    31     1.26404   114.80112   143.33077
   37    33 S   CM   _C16    37     1.52169   108.07041   -62.24901
   38    37 S   HC   _H18    38     1.09405   112.51905   -49.98966
   39    33 S   CT   _C18    97     1.53653   108.41855    67.14039
   40    39 S   HC   _H19    98     1.09727   111.39594    53.82865
   41    39 S   HC   _H20    99     1.09641   111.09771   172.05384
   42    39 S   HC   _H21   100     1.09455   112.92313   -66.98330
   43    33 S   CT   _C19   101     1.54119   105.92082  -177.12077
   44    43 S   HC   _H22   102     1.09692   111.84894   -61.02987
   45    43 S   HC   _H23   103     1.09740   112.29588    60.26655
   46    43 S   HC   _H24   104     1.09732   110.67414   179.71954
   47    37 S   CMA  _C15    39     1.35549   131.96336   131.29209
   48    47 S   OM   _O37    40     1.26466   127.05745    -0.46478
   49    47 S   OS   _O36    41     1.42096   109.68382  -177.62093
   50    49 S   CT   _C13    42     1.43408   115.94265  -125.00017
   51    50 S   HC   _H7_    43     1.09227   111.65335   -32.07172
   52    50 S   CO4  _C14    44     1.52820   108.84025    85.59819
   53    52 S   O    _O34    45     1.22775   123.47982   -30.50519
   54    50 S   CT   _C12    69     1.52316   107.59478  -155.43831
   55    54 S   HC   _H6_    70     1.10449   105.31424   -51.96193
   56    52 S   OS   _O35    46     1.35637   116.16155   155.72475
   57    58 S   CT   _C9_    71     1.52681   111.97063    42.54900
   58    56 S   CT   _C8_    47     1.45625   123.47524   -35.77155
   59    58 S   HC   _H5_    48     1.09610   105.73358   -78.43526
   60    57 S   CT   _C10    72     1.53288   114.93534  -156.87482
   61    60 S   HC   _H16    73     1.08799   115.71977   -89.61893
   62    60 S   HC   _H17    74     1.09540   112.23018    34.08242
   63    58 S   CT   _C7_    49     1.52806   105.78603   167.04836
   64    63 S   HC   _H14    50     1.09379   109.98311   167.24510
   65    63 S   HC   _H15    51     1.09777   108.70527    50.53552
   66    95 S   OS   _O33    75     1.46469   106.38159   -53.29704
   67    63 S   CT   _C6_    52     1.53710   110.59829   -68.79725
   68    67 S   HC   _H4_    53     1.10369   105.94016    51.18159
   69    67 S   CT   _C5_    54     1.54398   113.51625   163.14718
   70    69 S   HC   _H3_    55     1.10062   105.46447   -68.07589
   71    69 S   CO4  _C26    56     1.52145   110.89682   178.59793
   72    71 S   O    _O38    57     1.23204   121.36542   162.00129
   73    69 S   CT   _C4_    93     1.52553   117.83700    50.26893
   74    73 S   HC   _H11    94     1.09131   112.97293    77.95882
   75    73 S   HC   _H12    95     1.09300   112.22611   -45.66753
   76    73 S   HC   _H13    96     1.09692   109.64378  -164.39288
   77    71 S   CM   _C25    58     1.48968   119.58483   -19.23202
   78    77 S   CM   _C24    59     1.33967   121.32896    -4.27837
   79    78 S   HC   _H25    60     1.08703   117.08179  -175.82266
   80    77 S   OH   _O39    91     1.38021   117.91912   178.22337
   81    80 S   HO   _H26    92     0.97457   106.75362    -0.32385
   82    67 S   CT   _C23    61     1.56292   111.71181   -63.01374
   83    82 S   CT   _C22    62     1.60043   106.48159    60.36418
   84    83 S   HC   _H10    63     1.10034   103.65184    61.80398
   85    82 S   CT   _C27    87     1.54289   111.86489   -65.86494
   86    85 S   HC   _H27    88     1.09025   113.28090    54.29667
   87    85 S   HC   _H28    89     1.09304   111.69675   -65.93058
   88    85 S   HC   _H29    90     1.09077   113.08277   177.68379
   89    83 S   CT   _C21    64     1.56758   116.61461   174.73582
   90    89 S   HC   _H9_    65     1.09563   108.47083   -65.01003
   91    89 S   CT   _C20    66     1.54414   112.51163   174.59082
   92    91 S   HC   _H8_    67     1.09772   109.41873  -160.47881
   93    89 S   OH   _O40    85     1.42163   112.06418    52.37513
   94    93 S   HO   _H30    86     0.97230   108.06416  -175.13498
   95    91 S   CT   _C11    68     1.54288   111.84513   -40.12226
   96    91 S   OH   _O41    83     1.42130   108.60216    82.88929
   97    96 S   HO   _H31    84     0.97197   108.27759    64.13604
   98    95 S   CO4  _C28    76     1.52646   113.93349  -167.19003
   99    98 S   O    _O42    77     1.22630   124.21968   131.36737
  100    98 S   OS   _O43    78     1.36105   111.01719   -48.93382
  101   100 S   CT   _C29    79     1.43015   116.12044   178.53180
  102   101 S   HC   _H32    80     1.09300   107.97934   170.64699
  103   101 S   HC   _H33    81     1.09355   111.03996    51.57564
  104   101 S   HC   _H34    82     1.09375   109.73828   -70.88600
  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  12   5   4   3
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
   9  14   7   9   3  21   8   9  21  16   6  11   4   3  12   5
   4   9  20   8  13   8  11   4   5   2   1   1   7  11   4   2
   1  10  13   5   4   2   1   1   9   6   9   5   3   1   6   2
   1   6   2   4   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    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    54  
   49    50  
   50    51    52    53    56    95    54    55    57  
   51    52    53    56    58    83    91    95    54    55    57    60    66    98  
   52    53    56    95    54    55    57  
   53    56    58    59    63    95    54    55    57  
   56    58    54  
   55    57    60    61    62    66    98    99   100    96    56    58    59    63    82    83    84    89    91    92    95  
   57    60    66    98    58    83    91    95  
   58    59    63    64    65    67    83    57    60  
   60    61    62    66    98    93    85    58    59    63    64    65    67    78    82    83    84    89    90    91    95  
   59    63    64    65    67    68    69    82    83    84    89    95    60    61    62    66  
   63    64    65    67    83    60  
   61    62    66    98    63    82    83    84    89    91    95  
   62    66    83    95  
   66    83    95  
   64    65    67    68    69    70    71    78    82    83    85    73  
   65    67    68    69    82  
   67    68    69    82  
   98    99   100    96    83    89    91    92    95  
   68    69    70    71    72    77    78    79    82    83    84    89    85    86    87    88    73    74    75    76  
   69    70    71    78    82    83    85    73  
   70    71    72    77    78    82    83    85    80    73    74    75    76  
   71    72    77    82    73    74    75    76  
   72    77    78    79    82    80    81    73    74    75    76  
   77    78    80    73  
   74    75    76    77    82  
   75    76  
   76  
    0  
   78    79    82    83    85    80    81  
   79    82    83    84    89    85    86    87    88    80    81  
   82    83    85    80  
   81    82  
    0  
   83    84    89    90    91    93    85    86    87    88  
   84    89    90    91    92    95    96    93    94    85    86    87    88  
   89    90    91    93    85  
   86    87    88    89  
   87    88  
   88  
    0  
   90    91    92    95    98    96    97    93    94  
   91    92    95    96    93    94  
   92    95    98    99   100    96    97    93    94  
   95    98    96    97    93  
   94    95    96  
    0  
   98    99   100   101    96    97  
   97    98  
    0  
   99   100   101   102   103   104  
  100   101  
  101   102   103   104  
  102   103   104  
  103   104  
  104  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  100   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  101   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  104   2.4200   0.0150   0.030000   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    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    54   268.000  1.529
   52    53   570.000  1.229
   52    56   214.000  1.327
   56    58   320.000  1.410
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    57   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    82   268.000  1.529
   69    70   340.000  1.090
   69    71   317.000  1.522
   69    73   268.000  1.529
   71    72   570.000  1.229
   71    77   320.000  1.462
   77    78   549.000  1.340
   77    80   510.000  1.338
   78    79   340.000  1.080
   78    82   317.000  1.510
   82    83   268.000  1.529
   82    85   268.000  1.529
   83    84   340.000  1.090
   83    89   268.000  1.529
   83    57   268.000  1.529
   89    90   340.000  1.090
   89    91   268.000  1.529
   89    93   320.000  1.410
   91    92   340.000  1.090
   91    95   268.000  1.529
   91    96   320.000  1.410
   95    54   268.000  1.529
   95    66   320.000  1.410
   95    98   317.000  1.522
   54    55   340.000  1.090
   54    57   268.000  1.529
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   320.000  1.410
   98    99   570.000  1.229
   98   100   214.000  1.327
  100   101   320.000  1.410
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   96    97   553.000  0.945
   93    94   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   80    81   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    90.00000  108.74100
   49    50    54    50.00000  109.50000
   50    52    53    80.00000  120.40000
   50    52    56    81.00000  111.40000
   50    54    95    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    57    58.35000  112.70000
   52    50    51    35.00000  109.50000
   52    56    58    83.00000  116.90000
   56    52    53    83.00000  123.40000
   56    58    59    35.00000  109.50000
   56    58    63    50.00000  109.50000
   56    58    57    50.00000  109.50000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    67    58.35000  112.70000
   58    57    83    58.35000  112.70000
   58    57    54    58.35000  112.70000
   58    57    60    58.35000  112.70000
   63    58    59    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    69    58.35000  112.70000
   63    67    82    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    63.00000  111.10000
   67    69    73    58.35000  112.70000
   67    82    78    70.00000  112.02700
   67    82    83    58.35000  112.70000
   67    82    85    58.35000  112.70000
   69    67    68    37.50000  110.70000
   69    71    72    80.00000  120.40000
   69    71    77    65.00000  118.62400
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    76    37.50000  110.70000
   71    69    70    35.00000  109.50000
   71    77    78    65.00000  118.96000
   71    77    80    85.00000  116.28000
   77    71    72    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    82    70.00000  124.00000
   77    80    81    70.00000  107.45700
   78    82    83    70.00000  112.02700
   78    82    85    70.00000  112.02700
   82    67    68    37.50000  110.70000
   82    67    69    58.35000  112.70000
   82    78    79    35.00000  117.00000
   82    83    84    37.50000  110.70000
   82    83    89    58.35000  112.70000
   82    83    57    58.35000  112.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   83    89    90    37.50000  110.70000
   83    89    91    58.35000  112.70000
   83    89    93    50.00000  109.50000
   83    57    54    58.35000  112.70000
   83    57    60    58.35000  112.70000
   89    83    84    37.50000  110.70000
   89    91    92    37.50000  110.70000
   89    91    95    58.35000  112.70000
   89    91    96    50.00000  109.50000
   89    93    94    55.00000  108.50000
   91    89    90    37.50000  110.70000
   91    95    54    58.35000  112.70000
   91    95    66    50.00000  109.50000
   91    95    98    63.00000  111.10000
   91    96    97    55.00000  108.50000
   95    91    92    37.50000  110.70000
   95    54    55    37.50000  110.70000
   95    54    57    58.35000  112.70000
   95    66    60    60.00000  109.50000
   95    98    99    80.00000  120.40000
   95    98   100    81.00000  111.40000
   54    50    51    37.50000  110.70000
   54    50    52    63.00000  111.10000
   54    57    60    58.35000  112.70000
   57    58    59    37.50000  110.70000
   57    58    63    58.35000  112.70000
   57    83    84    37.50000  110.70000
   57    83    89    58.35000  112.70000
   57    54    55    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    66    50.00000  109.50000
   62    60    61    33.00000  107.80000
   66    95    54    50.00000  109.50000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   98    95    54    63.00000  111.10000
   98    95    66    90.00000  108.74100
   98   100   101    83.00000  116.90000
  100    98    99    83.00000  123.40000
  100   101   102    35.00000  109.50000
  100   101   103    35.00000  109.50000
  100   101   104    35.00000  109.50000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   96    91    92    35.00000  109.50000
   96    91    95    50.00000  109.50000
   93    89    90    35.00000  109.50000
   93    89    91    50.00000  109.50000
   85    82    83    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   80    77    78    80.00000  121.38400
   73    69    70    37.50000  110.70000
   73    69    71    63.00000  111.10000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
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   57    58   -63    67   0.56750  1.0 1.0
   57    58   -63    67  -0.07550 -1.0 2.0
   57    58   -63    67   0.20000  1.0 3.0
   57    83    89    90   0.15000  1.0 3.0
   57    83   -89    91   0.56750  1.0 1.0
   57    83   -89    91  -0.07550 -1.0 2.0
   57    83   -89    91   0.20000  1.0 3.0
   57    83    89    93   0.86500  1.0 1.0
   57    83    89    93  -0.17500 -1.0 2.0
   57    83    89    93   0.20800  1.0 3.0
   57    60   -66    95   0.06250  1.0 1.0
   57    60   -66    95  -0.01100 -1.0 2.0
   57    60   -66    95   0.28050  1.0 3.0
   61    60    66    95   0.37050  1.0 3.0
   62    60    66    95   0.37050  1.0 3.0
   66    95    54    50   0.62750  1.0 1.0
   66    95    54    50  -0.30950 -1.0 2.0
   66    95    54    50   0.27300  1.0 3.0
   66    95    54    55   0.23400  1.0 3.0
   66    95   -54    57   0.62750  1.0 1.0
   66    95   -54    57  -0.30950 -1.0 2.0
   66    95   -54    57   0.27300  1.0 3.0
   66    95    98    99   0.30150 -1.0 2.0
   66    95    98   100   0.40000  1.0 3.0
   98    95    54    50  -0.95700  1.0 1.0
   98    95    54    50  -0.18200 -1.0 2.0
   98    95    54    50   0.29450  1.0 3.0
   98    95    54    55  -0.11250  1.0 3.0
   98    95    54    57  -0.95700  1.0 1.0
   98    95    54    57  -0.18200 -1.0 2.0
   98    95    54    57   0.29450  1.0 3.0
   98    95    66    60  -1.11000  1.0 1.0
   98    95    66    60   0.50250 -1.0 2.0
   98    95    66    60   0.47450  1.0 3.0
   98   100   101   102   0.08050  1.0 3.0
   98   100   101   103   0.08050  1.0 3.0
   98   100   101   104   0.08050  1.0 3.0
   99    98   100   101   3.00000 -1.0 2.0
   96    91    95    54   0.86500  1.0 1.0
   96    91    95    54  -0.17500 -1.0 2.0
   96    91    95    54   0.20800  1.0 3.0
   96    91    95    66   3.69350  1.0 1.0
   96    91    95    66  -1.82950 -1.0 2.0
   96    91    95    98  -0.09450  1.0 1.0
   96    91    95    98  -1.12950 -1.0 2.0
   96    91    95    98   0.54000  1.0 3.0
   93    89    91    92   0.23400  1.0 3.0
   93    89    91    95   0.86500  1.0 1.0
   93    89    91    95  -0.17500 -1.0 2.0
   93    89    91    95   0.20800  1.0 3.0
   93    89    91    96   3.75450  1.0 1.0
   85    82    83    84   0.15000  1.0 3.0
   85    82    83    89   0.56750  1.0 1.0
   85    82    83    89  -0.07550 -1.0 2.0
   85    82    83    89   0.20000  1.0 3.0
   85    82    83    57   0.56750  1.0 1.0
   85    82    83    57  -0.07550 -1.0 2.0
   85    82    83    57   0.20000  1.0 3.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    82   7.00000 -1.0 2.0
   73    69    71    72   0.30150 -1.0 2.0
   73    69    71    77   0.65300  1.0 1.0
   73    69    71    77  -0.03850 -1.0 2.0
   73    69    71    77   0.33900  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   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
   33    38    37    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   50    56    52    53  10.50000 -1.0 2.0
   69    77    71    72  10.50000 -1.0 2.0
   71    80    77    78   1.10000 -1.0 2.0
   82    79    78    77   1.10000 -1.0 2.0
   95   100    98    99  10.50000 -1.0 2.0
END
