* LIGAND DATABASE FILE (OPLS2005)
*
001     107   111    209    336     626
    1     0 S   NP   _N1_     1    28.48535    97.75876   -21.20695
    2     1 S   H    _HN1     2     1.02836    43.70155   141.18694
    3     1 S   H    _H1_     3     1.02777    99.66803  -112.98495
    4     1 S   H    _H2_     4     1.02958    69.31002    -6.91997
    5     1 S   CT   _CA1     5     1.50128   145.48812    89.29005
    6     5 S   HC   _HA1     6     1.09575   105.21839    94.74026
    7     5 S   CO3  _C1_     7     1.53783   112.34116   -25.45352
    8     7 S   O2Z  _O11     8     1.26365   115.00022   -44.50008
    9     7 S   O2Z  _O12     9     1.26233   114.92696   134.58609
   10     5 S   CT   _CB1    10     1.53094   107.42042  -147.36262
   11    10 S   HC   HB11    11     1.09828   109.32859   -50.57872
   12    10 S   HC   HB12    12     1.09816   110.43064    65.97078
   13    10 S   CT   _CG1    13     1.53023   112.67574  -171.64870
   14    13 S   HC   HG11    14     1.09594   110.49604   -64.34346
   15    13 S   HC   HG12    15     1.09656   109.91965    54.86162
   16    13 S   C    _CD1    16     1.51843   112.29416   175.22619
   17    16 S   O    _OE1    17     1.22754   123.27382     0.47560
   18    16 S   N    _N2_    18     1.38548   111.72472  -179.55150
   19    18 S   H    _HN2    19     1.01561   119.05779     4.49745
   20    18 S   CT1  _CA2    20     1.45829   122.88605   177.81009
   21    20 S   HC   _HA2    21     1.09702   109.02167    23.55437
   22    20 S   C    _C2_    22     1.52932   106.80228   -93.81305
   23    22 S   O    _O2_    23     1.23007   122.94910   -28.41196
   24    20 S   CT   _CB2    32     1.53061   112.28881   146.84306
   25    24 S   HC   HB21    33     1.09591   109.95835    56.24721
   26    24 S   HC   HB22    34     1.09453   109.83816   175.20592
   27    22 S   N    _N3_    24     1.38471   112.71775   154.44152
   28    27 S   H    _HN3    25     1.01658   120.40544    -1.52598
   29    24 S   S    _SG2    35     1.82418   111.75850   -64.40441
   30    27 S   CT   _CA3    26     1.45353   122.34844   178.32930
   31    30 S   HC   HA31    27     1.09564   107.55068   -61.52347
   32    30 S   HC   HA32    28     1.09570   107.84067    54.75685
   33    29 S   CT   _C30    36     1.83701    99.29153   172.90779
   34    33 S   HC   _H3_    37     1.09340   105.97421   -48.32906
   35    30 S   CO3  _C3_    29     1.52865   114.45438   176.72440
   36    35 S   O2Z  _O31    30     1.26317   116.10658    -0.72362
   37    35 S   O2Z  _O32    31     1.26459   114.38302   179.35806
   38    33 S   CM   _C8_    38     1.53238   111.32955    73.36561
   39    33 S   CT   _C29   104     1.53088   108.88546  -161.66338
   40    39 S   HC   _H67   105     1.09572   112.69050   -57.34905
   41    39 S   HC   _H68   106     1.09603   110.55065  -177.96078
   42    39 S   HC   _H69   107     1.09633   110.84669    63.33000
   43    38 S   CMA  _C9_    39     1.36880   123.22770  -111.58837
   44    43 S   OM   _O28    40     1.26919   125.23707  -179.02944
   45    38 S   CT   _C25   100     1.52231   115.10851    70.20246
   46    45 S   HC   _H55   101     1.09411   111.05247   -52.54180
   47    45 S   HC   _H56   102     1.09424   113.50852  -172.14227
   48    45 S   HC   _H57   103     1.09466   110.29115    67.82537
   49    43 S   OS   _O39    41     1.42037   112.04957     2.71123
   50    49 S   CT   _C19    42     1.44685   116.07972  -138.26384
   51    50 S   HC   _H50    43     1.09367   110.23977   -42.30462
   52    50 S   CT   _C12    44     1.55652   109.82242  -161.86552
   53    52 S   HC   _H43    45     1.10160   105.71750   -60.50325
   54    50 S   CT   _C18    73     1.54442   106.63899    79.71595
   55    54 S   HC   _H49    74     1.09734   109.37924   -58.54028
   56    52 S   CM   _C5_    46     1.53861   117.58703    53.63714
   57    56 S   CM   _C4_    47     1.34436   121.09394   165.56422
   58    57 S   HC   _H40    48     1.08486   122.29554   178.58584
   59    56 S   CT   _C24    96     1.50243   120.94623   -15.57133
   60    59 S   HC   _H52    97     1.09144   110.60267   -65.18744
   61    59 S   HC   _H53    98     1.09617   112.16563   175.90634
   62    59 S   HC   _H54    99     1.09360   110.81433    57.05360
   63    57 S   CO4  _C6_    49     1.47895   121.22079    -3.22865
   64    63 S   O    _O29    50     1.23089   119.16173   176.78557
   65    63 S   CT   _C13    51     1.52267   118.74240    -2.44088
   66    65 S   HC   _H44    52     1.09792   106.39526    94.27732
   67    52 S   CT   _C22    53     1.58879   111.23192  -177.36448
   68    65 S   OH   _O36    94     1.41576   107.10761  -151.28252
   69    68 S   HO   _H71    95     0.97297   107.69736   -57.02003
   70    67 S   CT   _C16    54     1.60549   111.24457    51.01077
   71    70 S   HC   _H47    55     1.09407   104.69005    81.55757
   72    67 S   CT   _C28    90     1.55835   110.28533   -74.62824
   73    72 S   HC   _H64    91     1.09117   112.85151  -176.60494
   74    72 S   HC   _H65    92     1.08977   112.53944    61.11282
   75    72 S   HC   _H66    93     1.09393   112.83216   -58.04678
   76    70 S   CT   _C21    56     1.54521   116.20171   -40.00321
   77    76 S   CT   _C11    57     1.53662   101.59507   -83.52971
   78    77 S   HC   _H41    58     1.09074   114.23561    88.94857
   79    77 S   HC   _H42    59     1.09524   113.19856  -149.71180
   80    76 S   CT   _C15    66     1.57872   111.30950   161.24531
   81    80 S   HC   _H46    67     1.10229   107.20658   173.59216
   82    77 S   OS   _O35    60     1.43934   106.20964   -30.04922
   83    80 S   CT   _C14    68     1.53717   110.98967   -71.44070
   84    83 S   HC   _H45    69     1.09341   110.92996    72.69117
   85    70 S   CO   _C23    61     1.55323   118.68304  -155.33110
   86    83 S   CO4  _C7_    70     1.51479   112.97364   -48.28503
   87    86 S   O    _O30    71     1.22756   123.40163  -146.80205
   88    83 S   OS   _O40    75     1.44392   109.69224  -165.13931
   89    85 S   CT   _C20    62     1.55047   111.86707  -162.77304
   90    89 S   HC   _H51    63     1.09814   108.27760  -177.69488
   91    86 S   OS   _O34    72     1.34796   115.23813    40.02317
   92    88 S   CO4  _C10    76     1.36484   117.66055  -148.34510
   93    92 S   O    _O33    77     1.22306   126.39748     1.19894
   94    85 S   OH   _O38    88     1.41460   113.61482   -39.59234
   95    94 S   HO   _H73    89     0.97077   108.85895  -155.70131
   96    89 S   CT   _C17    64     1.54142   112.77834   -59.34405
   97    96 S   HC   _H48    65     1.10021   105.44835   -75.54171
   98    92 S   CT   _C26    78     1.49826   109.45669  -179.08400
   99    98 S   HC   _H58    79     1.09284   109.82323   -61.92085
  100    98 S   HC   _H59    80     1.09376   109.35655   178.97321
  101    98 S   HC   _H60    81     1.09292   109.82675    59.99189
  102    89 S   OH   _O37    86     1.42591   110.89495    67.42168
  103   102 S   HO   _H72    87     0.96917   109.37775   -69.49876
  104    96 S   CT   _C27    82     1.52881   111.66465   171.92584
  105   104 S   HC   _H61    83     1.09321   112.39121   -62.40861
  106   104 S   HC   _H62    84     1.09463   110.91509   175.29073
  107   104 S   HC   _H63    85     1.09602   110.17182    56.88575
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  17   8  24   8  18   6  12  11   4   5   2   1   1   8   4
  12   5  15   3   1  21   8   5   2   1   1  17  11   4   3  19
   8   7  12   6   9   5   2   8  11   6   1   5   4   3   1   7
   5   3   2   1   1   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    54    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    56    67    76    91    54    55  
   51    52    53    56    57    65    67    70    76    77    80    86    91    54    55    72    59  
   52    53    56    67    76    91    54    55  
   53    56    57    58    63    65    66    67    70    71    76    85    91    54    55    72    73    74    75    68    59    60    61    62  
   56    57    65    67    70    54    72    59  
   55    56    67    70    71    76    77    78    79    80    81    82    83    85    86    87    91    96  
   70    76    77    80    86    91  
   57    58    63    64    65    67    70    72    59    60    61    62  
   58    63    64    65    66    67    68    59    60    61    62  
   63    64    65    59  
   60    61    62    63    67  
   61    62  
   62  
    0  
   64    65    66    67    70    72    68    69  
   65    66    67    68  
   66    67    70    71    76    85    72    73    74    75    68    69  
   67    70    72    68    69  
   70    71    76    77    82    85    89    80    94    72    73    74    75    68    69  
   69    70    72  
    0  
   71    76    77    78    79    82    85    89    90    96    80    81    83    91   102    94    95    72    73    74    75  
   76    77    82    85    89    80    94    72  
   73    74    75    76    85  
   74    75  
   75  
    0  
   77    78    79    82    85    89    96    97    80    81    83    84    86    91    88   104    94  
   78    79    82    85    89    96    80    81    83    91    94  
   79    82    85    80  
   82    85    80  
   81    83    84    86    87    91    88    92   104   105   106   107   102    82    85    89    90    96    97  
   83    84    86    88   104    89    96    97  
   85    89    90    96   102    94    95  
   84    86    87    91    88    92    93    98   104    89    96    97  
   86    87    91    88    92    96  
   89    90    96    97   104   102   103    94    95  
   87    91    88    92    96  
   91    88  
   92    93    98    99   100   101    91    96  
   90    96    97   104   105   106   107   102   103    94    95  
   96    97   104   102   103    94  
    0  
   93    98    99   100   101  
   98    99   100   101  
   95    96   102  
    0  
   97   104   105   106   107   102   103  
  104   105   106   107   102  
   99   100   101  
  100   101  
  101  
    0  
  103   104  
    0  
  105   106   107  
  106   107  
  107  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   83   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    56   317.000  1.510
   52    67   268.000  1.529
   56    57   549.000  1.340
   56    59   317.000  1.510
   57    58   340.000  1.080
   57    63   320.000  1.462
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    68   320.000  1.410
   67    70   268.000  1.529
   67    72   268.000  1.529
   70    71   340.000  1.090
   70    76   268.000  1.529
   70    85   250.000  1.527
   76    77   268.000  1.529
   76    80   268.000  1.529
   76    54   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   320.000  1.410
   82    85   320.000  1.380
   85    89   250.000  1.527
   85    94   380.000  1.407
   89    90   340.000  1.090
   89    96   268.000  1.529
   89   102   320.000  1.410
   96    97   340.000  1.090
   96    80   268.000  1.529
   96   104   268.000  1.529
   80    81   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    86   317.000  1.522
   83    88   320.000  1.410
   86    87   570.000  1.229
   86    91   214.000  1.327
   91    54   320.000  1.410
   54    55   340.000  1.090
   88    92   214.000  1.327
   92    93   570.000  1.229
   92    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  102   103   553.000  0.945
   94    95   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   68    69   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    56    70.00000  112.02700
   50    52    67    58.35000  112.70000
   50    54    76    58.35000  112.70000
   50    54    91    50.00000  109.50000
   50    54    55    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    56    57    70.00000  124.00000
   52    56    59    65.00000  117.92700
   52    67    65    58.35000  112.70000
   52    67    70    58.35000  112.70000
   52    67    72    58.35000  112.70000
   56    52    53    35.00000  109.50000
   56    57    58    35.00000  120.00000
   56    57    63    65.00000  118.96000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    35.00000  109.50000
   57    63    64    80.00000  123.72100
   57    63    65    65.00000  118.62400
   63    57    58    40.00000  117.72500
   63    65    66    35.00000  109.50000
   63    65    67    63.00000  111.10000
   63    65    68    90.00000  109.61100
   65    63    64    80.00000  120.40000
   65    67    70    58.35000  112.70000
   65    67    72    58.35000  112.70000
   65    68    69    55.00000  108.50000
   67    52    53    37.50000  110.70000
   67    52    56    70.00000  112.02700
   67    65    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    76    58.35000  112.70000
   67    70    85    75.00000  109.43000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   70    76    77    58.35000  112.70000
   70    76    80    58.35000  112.70000
   70    76    54    58.35000  112.70000
   70    85    82    90.00000  108.56700
   70    85    89    65.00000  112.71400
   70    85    94    90.00000  110.19100
   76    70    71    37.50000  110.70000
   76    77    78    37.50000  110.70000
   76    77    79    37.50000  110.70000
   76    77    82    50.00000  109.50000
   76    80    96    58.35000  112.70000
   76    80    81    37.50000  110.70000
   76    80    83    58.35000  112.70000
   76    54    91    50.00000  109.50000
   76    54    55    37.50000  110.70000
   77    82    85    60.00000  109.50000
   79    77    78    33.00000  107.80000
   82    77    78    35.00000  109.50000
   82    77    79    35.00000  109.50000
   82    85    89    90.00000  108.56700
   82    85    94   110.00000  112.08000
   85    70    71    45.00000  108.72000
   85    70    76    75.00000  109.43000
   85    89    90    45.00000  108.72000
   85    89    96    75.00000  109.43000
   85    89   102    90.00000  111.58700
   85    94    95    70.00000  107.92000
   89    96    97    37.50000  110.70000
   89    96    80    58.35000  112.70000
   89    96   104    58.35000  112.70000
   89   102   103    55.00000  108.50000
   96    89    90    37.50000  110.70000
   96    80    81    37.50000  110.70000
   96    80    83    58.35000  112.70000
   96   104   105    37.50000  110.70000
   96   104   106    37.50000  110.70000
   96   104   107    37.50000  110.70000
   80    76    77    58.35000  112.70000
   80    96    97    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    86    63.00000  111.10000
   80    83    88    50.00000  109.50000
   83    80    81    37.50000  110.70000
   83    86    87    80.00000  120.40000
   83    86    91    81.00000  111.40000
   83    88    92    83.00000  116.90000
   86    83    84    35.00000  109.50000
   86    91    54    83.00000  116.90000
   91    86    87    83.00000  123.40000
   91    54    55    35.00000  109.50000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    76    77    58.35000  112.70000
   54    76    80    58.35000  112.70000
   88    83    84    35.00000  109.50000
   88    83    86    90.00000  108.74100
   88    92    93    83.00000  123.40000
   88    92    98    81.00000  111.40000
   92    98    99    35.00000  109.50000
   92    98   100    35.00000  109.50000
   92    98   101    35.00000  109.50000
   98    92    93    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  104    96    97    37.50000  110.70000
  104    96    80    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  102    89    90    35.00000  109.50000
  102    89    96    50.00000  109.50000
   94    85    89    90.00000  110.19100
   72    67    70    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    50.00000  109.50000
   59    56    57    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    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
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
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   80    76    54    50   0.20000  1.0 3.0
   80    76    54    91   0.62750  1.0 1.0
   80    76    54    91  -0.30950 -1.0 2.0
   80    76    54    91   0.27300  1.0 3.0
   80    76    54    55   0.15000  1.0 3.0
   80    96   104   105   0.15000  1.0 3.0
   80    96   104   106   0.15000  1.0 3.0
   80    96   104   107   0.15000  1.0 3.0
   80    83    86    87   0.30150 -1.0 2.0
   80    83   -86    91   0.36750  1.0 3.0
   80    83    88    92  -0.25900  1.0 1.0
   80    83    88    92  -0.47000 -1.0 2.0
   80    83    88    92   0.11750  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    86  -0.11250  1.0 3.0
   81    80    83    88   0.23400  1.0 3.0
   83    86    91    54   1.63150  1.0 1.0
   83    86    91    54   2.92000 -1.0 2.0
   83    88    92    93   3.00000 -1.0 2.0
   83    88    92    98   1.63150  1.0 1.0
   83    88    92    98   2.92000 -1.0 2.0
   84    83    86    87   0.00000  1.0 1.0
   84    83    86    91   0.00000  1.0 1.0
   84    83    88    92   0.08050  1.0 3.0
   86    83    88    92  -1.80650  1.0 1.0
   86    83    88    92   0.63900 -1.0 2.0
   86    83    88    92   0.03650  1.0 3.0
   86    91    54    50  -0.25900  1.0 1.0
   86    91    54    50  -0.47000 -1.0 2.0
   86    91    54    50   0.11750  1.0 3.0
   86    91   -54    76  -0.25900  1.0 1.0
   86    91   -54    76  -0.47000 -1.0 2.0
   86    91   -54    76   0.11750  1.0 3.0
   86    91    54    55   0.08050  1.0 3.0
   87    86    91    54   3.00000 -1.0 2.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    56   0.34400  1.0 1.0
   54    50    52    56   0.09450 -1.0 2.0
   54    50    52    56   0.11100  1.0 3.0
   54    50   -52    67   0.56750  1.0 1.0
   54    50   -52    67  -0.07550 -1.0 2.0
   54    50   -52    67   0.20000  1.0 3.0
   54    76    77    78   0.15000  1.0 3.0
   54    76    77    79   0.15000  1.0 3.0
   54    76    77    82   0.62750  1.0 1.0
   54    76    77    82  -0.30950 -1.0 2.0
   54    76    77    82   0.27300  1.0 3.0
   54    76    80    96   0.56750  1.0 1.0
   54    76    80    96  -0.07550 -1.0 2.0
   54    76    80    96   0.20000  1.0 3.0
   54    76    80    81   0.15000  1.0 3.0
   54    76   -80    83   0.56750  1.0 1.0
   54    76   -80    83  -0.07550 -1.0 2.0
   54    76   -80    83   0.20000  1.0 3.0
   88    83    86    87   0.30150 -1.0 2.0
   88    83    86    91   0.40000  1.0 3.0
   88    92    98    99   0.00000  1.0 1.0
   88    92    98   100   0.00000  1.0 1.0
   88    92    98   101   0.00000  1.0 1.0
   93    92    98    99   0.00000  1.0 1.0
   93    92    98   100   0.00000  1.0 1.0
   93    92    98   101   0.00000  1.0 1.0
  104    96    80    76   0.56750  1.0 1.0
  104    96    80    76  -0.07550 -1.0 2.0
  104    96    80    76   0.20000  1.0 3.0
  104    96    80    81   0.15000  1.0 3.0
  104    96    80    83   0.56750  1.0 1.0
  104    96    80    83  -0.07550 -1.0 2.0
  104    96    80    83   0.20000  1.0 3.0
  102    89    96    97   0.23400  1.0 3.0
  102    89    96    80   0.86500  1.0 1.0
  102    89    96    80  -0.17500 -1.0 2.0
  102    89    96    80   0.20800  1.0 3.0
  102    89    96   104   0.86500  1.0 1.0
  102    89    96   104  -0.17500 -1.0 2.0
  102    89    96   104   0.20800  1.0 3.0
   94    85    89    90   0.23400  1.0 3.0
   94    85    89    96   0.86500  1.0 1.0
   94    85    89    96  -0.17500 -1.0 2.0
   94    85    89    96   0.20800  1.0 3.0
   94    85    89   102   3.75450  1.0 1.0
   72    67    70    71   0.15000  1.0 3.0
   72    67    70    76   0.56750  1.0 1.0
   72    67    70    76  -0.07550 -1.0 2.0
   72    67    70    76   0.20000  1.0 3.0
   72    67    70    85   3.97050  1.0 1.0
   68    65    67    52   0.86500  1.0 1.0
   68    65    67    52  -0.17500 -1.0 2.0
   68    65    67    52   0.20800  1.0 3.0
   68    65    67    70   0.86500  1.0 1.0
   68    65    67    70  -0.17500 -1.0 2.0
   68    65    67    70   0.20800  1.0 3.0
   68    65    67    72   0.86500  1.0 1.0
   68    65    67    72  -0.17500 -1.0 2.0
   68    65    67    72   0.20800  1.0 3.0
   59    56    57    58   7.00000 -1.0 2.0
   59    56    57    63   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   52    59    56    57   1.10000 -1.0 2.0
   63    58    57    56   1.10000 -1.0 2.0
   57    65    63    64  10.50000 -1.0 2.0
   83    91    86    87  10.50000 -1.0 2.0
   88    98    92    93  10.50000 -1.0 2.0
END
