* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    206    333     619
    1     0 S   NP   _N1_     1    29.46509    98.65624   -24.76839
    2     1 S   H    _HN1     2     1.02782    99.23458   -69.77175
    3     1 S   H    _H1_     3     1.02954    59.43451    36.12767
    4     1 S   H    _H2_     4     1.02831    53.84867  -175.22369
    5     1 S   CT   _CA1     5     1.50081   148.44103   115.35152
    6     5 S   HC   _HA1     6     1.09572   105.26289   113.18855
    7     5 S   CO3  _C1_     7     1.53782   112.39991    -7.12271
    8     7 S   O2Z  _O11     8     1.26357   115.03021   -44.77662
    9     7 S   O2Z  _O12     9     1.26240   114.96801   134.56466
   10     5 S   CT   _CB1    10     1.53098   107.44487  -128.82918
   11    10 S   HC   HB11    11     1.09822   109.44309   -50.50407
   12    10 S   HC   HB12    12     1.09818   110.42040    66.11893
   13    10 S   CT   _CG1    13     1.52950   112.53736  -171.55317
   14    13 S   HC   HG11    14     1.09602   110.46154   -62.78173
   15    13 S   HC   HG12    15     1.09657   109.95988    56.41056
   16    13 S   C    _CD1    16     1.51784   112.39534   176.87400
   17    16 S   O    _OE1    17     1.22706   123.37290    -1.30925
   18    16 S   N    _N2_    18     1.38589   111.46812   178.65972
   19    18 S   H    _HN2    19     1.01594   118.91221     2.16229
   20    18 S   CT1  _CA2    20     1.46242   123.57627  -179.63684
   21    20 S   HC   _HA2    21     1.09728   109.47999    -6.33172
   22    20 S   C    _C2_    22     1.53415   108.44849  -121.94533
   23    22 S   O    _O2_    23     1.23033   122.36868  -148.21280
   24    20 S   CT   _CB2    32     1.53400   111.01557   115.81614
   25    24 S   HC   HB21    33     1.09375   109.25562    54.64776
   26    24 S   HC   HB22    34     1.09497   110.57660   173.23114
   27    22 S   N    _N3_    24     1.38362   113.51526    39.31364
   28    27 S   H    _HN3    25     1.01632   119.50017    -3.59472
   29    24 S   S    _SG2    35     1.83074   111.05312   -67.70025
   30    27 S   CT   _CA3    26     1.45288   123.14679   176.96978
   31    30 S   HC   HA31    27     1.09551   107.51851   -64.04459
   32    30 S   HC   HA32    28     1.09558   107.95836    52.36827
   33    29 S   CT   _C23    36     1.85878   102.18139   154.73147
   34    30 S   CO3  _C3_    29     1.52938   114.12626   174.35153
   35    34 S   O2Z  _O31    30     1.26367   116.05778    -0.96124
   36    34 S   O2Z  _O32    31     1.26430   114.41224   179.10278
   37    33 S   CT   _C24    37     1.53415   110.63029    49.48472
   38    37 S   HC   _H19    38     1.09476   112.20090   -70.43607
   39    37 S   HC   _H20    39     1.09627   111.64994    51.20814
   40    37 S   HC   _H21    40     1.09617   111.00110   170.17501
   41    33 S   CT   _C25    41     1.53877   105.16290   167.15111
   42    41 S   HC   _H22    42     1.09661   111.84167    63.04320
   43    41 S   HC   _H23    43     1.09694   111.74058   -58.24099
   44    41 S   HC   _H24    44     1.09459   111.27273  -177.13106
   45    33 S   CT   _C22    45     1.54083   108.00068   -74.43042
   46    45 S   HC   _H17    46     1.09727   110.92019   -58.22777
   47    45 S   HC   _H18    47     1.09650   111.91061    59.11444
   48    45 S   CO4  _C21    48     1.51164   114.23612   179.27449
   49    48 S   O    _O37    49     1.22429   123.56752   -87.08112
   50    48 S   OS   _O36    50     1.36367   110.30056    92.71603
   51    50 S   CT   _C19    51     1.43683   117.28757   178.50905
   52    51 S   HC   _H9_    52     1.09178   109.75035   -30.66289
   53    51 S   CO4  _C20    53     1.52179   109.22633    86.12541
   54    53 S   O    _O34    54     1.22764   122.93062   -27.20238
   55    51 S   CT   _C18    78     1.51706   108.45311  -154.21713
   56    55 S   HC   _H8_    79     1.10482   105.73169   -55.01490
   57    53 S   OS   _O35    55     1.35727   115.96019   158.66970
   58    59 S   CT   _C13    80     1.52595   112.31736    39.55769
   59    57 S   CT   _C12    56     1.46062   123.72583   -34.60414
   60    59 S   HC   _H4_    57     1.09732   105.43126   -81.00653
   61    58 S   CT   _C26    81     1.53357   115.21612  -155.04578
   62    61 S   HC   _H25    82     1.08686   116.13487   -88.98999
   63    61 S   HC   _H26    83     1.09641   112.03804    34.82817
   64    59 S   CT   _C11    58     1.53102   105.90772   164.63179
   65    64 S   HC   _H15    59     1.09479   110.46320   166.78705
   66    64 S   HC   _H16    60     1.09663   107.16298    51.08481
   67    96 S   OS   _O38    84     1.46260   106.50966   -53.44805
   68    64 S   CT   _C10    61     1.54612   111.47675   -68.86735
   69    68 S   HC   _H3_    62     1.10143   106.37596    54.32908
   70    68 S   CM   _C5_    63     1.52981   115.45000   168.79769
   71    70 S   CM   _C6_    64     1.34723   121.51149   156.32754
   72    70 S   CT   _C4_   102     1.50778   117.59153   -27.06996
   73    72 S   HC   _H10   103     1.09502   110.22035   -54.15549
   74    72 S   HC   _H11   104     1.09444   113.10845  -173.64115
   75    72 S   HC   _H12   105     1.09464   110.47728    66.44631
   76    71 S   CO4  _C7_    65     1.49004   120.75545    -0.03956
   77    76 S   O    _O33    66     1.23141   119.39340   176.68583
   78    71 S   OH   _O43   100     1.38042   122.26731   178.85329
   79    78 S   HO   _H35   101     0.97450   106.89267  -179.00024
   80    76 S   CT   _C8_    67     1.51259   119.36377    -0.91643
   81    80 S   HC   _H13    68     1.09689   106.90359    95.37595
   82    80 S   HC   _H14    69     1.09639   107.35341  -149.07543
   83    68 S   CT   _C9_    70     1.56780   109.99030   -62.04586
   84    83 S   CT   _C14    71     1.59075   107.90972    59.15399
   85    84 S   HC   _H5_    72     1.09866   102.84829    61.52787
   86    83 S   CT   _C29    96     1.55262   110.45036   -66.65811
   87    86 S   HC   _H32    97     1.08868   113.08119    64.43184
   88    86 S   HC   _H33    98     1.09503   112.26748   -54.45151
   89    86 S   HC   _H34    99     1.09223   112.25456  -172.59702
   90    84 S   CT   _C15    73     1.56330   116.23032   173.90793
   91    90 S   HC   _H6_    74     1.09618   108.43271   -63.26578
   92    90 S   CT   _C16    75     1.54720   112.29961   176.12031
   93    92 S   HC   _H7_    76     1.09756   109.43680  -160.62915
   94    90 S   OH   _O42    94     1.42203   111.43585    53.86949
   95    94 S   HO   _H31    95     0.97236   108.05612  -176.02812
   96    92 S   CT   _C17    77     1.54347   111.72438   -40.17026
   97    92 S   OH   _O41    92     1.42471   108.74952    82.48749
   98    97 S   HO   _H30    93     0.97268   107.80124    64.61138
   99    96 S   CO4  _C27    85     1.52671   114.61802  -167.78005
  100    99 S   O    _O39    86     1.22618   124.01281   135.61419
  101    99 S   OS   _O40    87     1.36257   111.27488   -45.20377
  102   101 S   CT   _C28    88     1.43148   115.40062   177.60298
  103   102 S   HC   _H27    89     1.09326   108.07442  -179.75691
  104   102 S   HC   _H28    90     1.09418   110.38223    61.51398
  105   102 S   HC   _H29    91     1.09397   110.14224   -61.10618
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  14   2   1   1  11   4   3   2   7   3   2   1   6   4   3   6
   2   9  14   7   9   3  21   8   9  21  16   6  11   4   3  11
   5   4   9  20   7  13  12   6   2   1   1   9   5   2   1  10
   4   3  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    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51  
   47    48    49    50  
   48    49    50  
   49    50    51    52    53    55  
   50    51  
   51    52    53    54    57    96    55    56    58  
   52    53    54    57    59    84    92    96    55    56    58    61    67    99  
   53    54    57    96    55    56    58  
   54    57    59    60    64    96    55    56    58  
   57    59    55  
   56    58    61    62    63    67    99   100   101    97    57    59    60    64    83    84    85    90    92    93    96  
   58    61    67    99    59    84    92    96  
   59    60    64    65    66    68    84    58    61  
   61    62    63    67    99    94    86    59    60    64    65    66    68    80    83    84    85    90    91    92    96  
   60    64    65    66    68    69    70    83    84    85    90    96    61    62    63    67  
   64    65    66    68    84    61  
   62    63    67    99    64    83    84    85    90    92    96  
   63    67    84    96  
   67    84    96  
   65    66    68    69    70    71    80    83    84    86    72  
   66    68    69    70    83  
   68    69    70    83  
   99   100   101    97    84    90    92    93    96  
   69    70    71    76    80    81    82    83    84    85    90    86    87    88    89    78    72    73    74    75  
   70    71    80    83    84    86    72  
   71    76    77    80    83    84    86    78    79    72    73    74    75  
   76    77    80    81    82    83    78    79    72    73    74    75  
   73    74    75    76    78    83  
   74    75  
   75  
    0  
   77    80    81    82    83    84    86    78    79  
   80    81    82    83    78  
   79    80  
    0  
   81    82    83    84    85    90    86    87    88    89  
   82    83    84    86  
   83    84    86  
   84    85    90    91    92    94    86    87    88    89  
   85    90    91    92    93    96    97    94    95    86    87    88    89  
   90    91    92    94    86  
   87    88    89    90  
   88    89  
   89  
    0  
   91    92    93    96    99    97    98    94    95  
   92    93    96    97    94    95  
   93    96    99   100   101    97    98    94    95  
   96    99    97    98    94  
   95    96    97  
    0  
   99   100   101   102    97    98  
   98    99  
    0  
  100   101   102   103   104   105  
  101   102  
  102   103   104   105  
  103   104   105  
  104   105  
  105  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.205000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   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   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  101   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  102   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  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
  105   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   268.000  1.529
   33    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.522
   51    55   268.000  1.529
   53    54   570.000  1.229
   53    57   214.000  1.327
   57    59   320.000  1.410
   59    60   340.000  1.090
   59    64   268.000  1.529
   59    58   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    70   317.000  1.510
   68    83   268.000  1.529
   70    71   549.000  1.340
   70    72   317.000  1.510
   71    76   320.000  1.462
   71    78   510.000  1.338
   76    77   570.000  1.229
   76    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   268.000  1.529
   83    86   268.000  1.529
   84    85   340.000  1.090
   84    90   268.000  1.529
   84    58   268.000  1.529
   90    91   340.000  1.090
   90    92   268.000  1.529
   90    94   320.000  1.410
   92    93   340.000  1.090
   92    96   268.000  1.529
   92    97   320.000  1.410
   96    55   268.000  1.529
   96    67   320.000  1.410
   96    99   317.000  1.522
   55    56   340.000  1.090
   55    58   268.000  1.529
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   320.000  1.410
   99   100   570.000  1.229
   99   101   214.000  1.327
  101   102   320.000  1.410
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   97    98   553.000  0.945
   94    95   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   78    79   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    37.50000  110.70000
   33    45    48    63.00000  111.10000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    80.00000  120.40000
   45    48    50    81.00000  111.40000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    83.00000  116.90000
   50    48    49    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    90.00000  108.74100
   50    51    55    50.00000  109.50000
   51    53    54    80.00000  120.40000
   51    53    57    81.00000  111.40000
   51    55    96    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    58    58.35000  112.70000
   53    51    52    35.00000  109.50000
   53    57    59    83.00000  116.90000
   57    53    54    83.00000  123.40000
   57    59    60    35.00000  109.50000
   57    59    64    50.00000  109.50000
   57    59    58    50.00000  109.50000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    68    58.35000  112.70000
   59    58    84    58.35000  112.70000
   59    58    55    58.35000  112.70000
   59    58    61    58.35000  112.70000
   64    59    60    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    70    70.00000  112.02700
   64    68    83    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    70    71    70.00000  124.00000
   68    70    72    65.00000  117.92700
   68    83    80    58.35000  112.70000
   68    83    84    58.35000  112.70000
   68    83    86    58.35000  112.70000
   70    68    69    35.00000  109.50000
   70    71    76    65.00000  118.96000
   70    71    78    80.00000  121.38400
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    35.00000  109.50000
   71    76    77    80.00000  123.72100
   71    76    80    65.00000  118.62400
   71    78    79    70.00000  107.45700
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    83    63.00000  111.10000
   80    76    77    80.00000  120.40000
   80    83    84    58.35000  112.70000
   80    83    86    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    68    69    37.50000  110.70000
   83    68    70    70.00000  112.02700
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    84    85    37.50000  110.70000
   83    84    90    58.35000  112.70000
   83    84    58    58.35000  112.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   84    90    91    37.50000  110.70000
   84    90    92    58.35000  112.70000
   84    90    94    50.00000  109.50000
   84    58    55    58.35000  112.70000
   84    58    61    58.35000  112.70000
   90    84    85    37.50000  110.70000
   90    92    93    37.50000  110.70000
   90    92    96    58.35000  112.70000
   90    92    97    50.00000  109.50000
   90    94    95    55.00000  108.50000
   92    90    91    37.50000  110.70000
   92    96    55    58.35000  112.70000
   92    96    67    50.00000  109.50000
   92    96    99    63.00000  111.10000
   92    97    98    55.00000  108.50000
   96    92    93    37.50000  110.70000
   96    55    56    37.50000  110.70000
   96    55    58    58.35000  112.70000
   96    67    61    60.00000  109.50000
   96    99   100    80.00000  120.40000
   96    99   101    81.00000  111.40000
   55    51    52    37.50000  110.70000
   55    51    53    63.00000  111.10000
   55    58    61    58.35000  112.70000
   58    59    60    37.50000  110.70000
   58    59    64    58.35000  112.70000
   58    84    85    37.50000  110.70000
   58    84    90    58.35000  112.70000
   58    55    56    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    67    50.00000  109.50000
   63    61    62    33.00000  107.80000
   67    96    55    50.00000  109.50000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   99    96    55    63.00000  111.10000
   99    96    67    90.00000  108.74100
   99   101   102    83.00000  116.90000
  101    99   100    83.00000  123.40000
  101   102   103    35.00000  109.50000
  101   102   104    35.00000  109.50000
  101   102   105    35.00000  109.50000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   97    92    93    35.00000  109.50000
   97    92    96    50.00000  109.50000
   94    90    91    35.00000  109.50000
   94    90    92    50.00000  109.50000
   86    83    84    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   78    71    76    85.00000  116.28000
   72    70    71    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    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
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   96    99   101   102   1.63150  1.0 1.0
   96    99   101   102   2.92000 -1.0 2.0
   55    51    53    54   0.30150 -1.0 2.0
   55    51   -53    57   0.36750  1.0 3.0
   55    96   -67    61   0.06250  1.0 1.0
   55    96   -67    61  -0.01100 -1.0 2.0
   55    96   -67    61   0.28050  1.0 3.0
   55    96    99   100   0.30150 -1.0 2.0
   55    96    99   101   0.36750  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58    61    63   0.15000  1.0 3.0
   55    58   -61    67   0.62750  1.0 1.0
   55    58   -61    67  -0.30950 -1.0 2.0
   55    58   -61    67   0.27300  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    84   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   58    59    64    65   0.15000  1.0 3.0
   58    59    64    66   0.15000  1.0 3.0
   58    59   -64    68   0.56750  1.0 1.0
   58    59   -64    68  -0.07550 -1.0 2.0
   58    59   -64    68   0.20000  1.0 3.0
   58    84    90    91   0.15000  1.0 3.0
   58    84   -90    92   0.56750  1.0 1.0
   58    84   -90    92  -0.07550 -1.0 2.0
   58    84   -90    92   0.20000  1.0 3.0
   58    84    90    94   0.86500  1.0 1.0
   58    84    90    94  -0.17500 -1.0 2.0
   58    84    90    94   0.20800  1.0 3.0
   58    61   -67    96   0.06250  1.0 1.0
   58    61   -67    96  -0.01100 -1.0 2.0
   58    61   -67    96   0.28050  1.0 3.0
   62    61    67    96   0.37050  1.0 3.0
   63    61    67    96   0.37050  1.0 3.0
   67    96    55    51   0.62750  1.0 1.0
   67    96    55    51  -0.30950 -1.0 2.0
   67    96    55    51   0.27300  1.0 3.0
   67    96    55    56   0.23400  1.0 3.0
   67    96   -55    58   0.62750  1.0 1.0
   67    96   -55    58  -0.30950 -1.0 2.0
   67    96   -55    58   0.27300  1.0 3.0
   67    96    99   100   0.30150 -1.0 2.0
   67    96    99   101   0.40000  1.0 3.0
   99    96    55    51  -0.95700  1.0 1.0
   99    96    55    51  -0.18200 -1.0 2.0
   99    96    55    51   0.29450  1.0 3.0
   99    96    55    56  -0.11250  1.0 3.0
   99    96    55    58  -0.95700  1.0 1.0
   99    96    55    58  -0.18200 -1.0 2.0
   99    96    55    58   0.29450  1.0 3.0
   99    96    67    61  -1.11000  1.0 1.0
   99    96    67    61   0.50250 -1.0 2.0
   99    96    67    61   0.47450  1.0 3.0
   99   101   102   103   0.08050  1.0 3.0
   99   101   102   104   0.08050  1.0 3.0
   99   101   102   105   0.08050  1.0 3.0
  100    99   101   102   3.00000 -1.0 2.0
   97    92    96    55   0.86500  1.0 1.0
   97    92    96    55  -0.17500 -1.0 2.0
   97    92    96    55   0.20800  1.0 3.0
   97    92    96    67   3.69350  1.0 1.0
   97    92    96    67  -1.82950 -1.0 2.0
   97    92    96    99  -0.09450  1.0 1.0
   97    92    96    99  -1.12950 -1.0 2.0
   97    92    96    99   0.54000  1.0 3.0
   94    90    92    93   0.23400  1.0 3.0
   94    90    92    96   0.86500  1.0 1.0
   94    90    92    96  -0.17500 -1.0 2.0
   94    90    92    96   0.20800  1.0 3.0
   94    90    92    97   3.75450  1.0 1.0
   86    83    84    85   0.15000  1.0 3.0
   86    83    84    90   0.56750  1.0 1.0
   86    83    84    90  -0.07550 -1.0 2.0
   86    83    84    90   0.20000  1.0 3.0
   86    83    84    58   0.56750  1.0 1.0
   86    83    84    58  -0.07550 -1.0 2.0
   86    83    84    58   0.20000  1.0 3.0
   78    71    76    77  -0.11900  1.0 1.0
   78    71    76    77   0.76850 -1.0 2.0
   78    71    76    77   0.14100  1.0 3.0
   78    71    76    80   0.32450 -1.0 2.0
   78    71    76    80   0.17400  1.0 3.0
   72    70    71    76   7.00000 -1.0 2.0
   72    70    71    78   7.00000 -1.0 2.0
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
   45    50    48    49  10.50000 -1.0 2.0
   51    57    53    54  10.50000 -1.0 2.0
   68    72    70    71   1.10000 -1.0 2.0
   76    78    71    70   1.10000 -1.0 2.0
   71    80    76    77  10.50000 -1.0 2.0
   96   101    99   100  10.50000 -1.0 2.0
END
