* LIGAND DATABASE FILE (OPLS2005)
*
001     104   108    209    340     630
    1     0 S   NP   _N1_     1    28.79260    97.79702   -23.25154
    2     1 S   H    _HN1     2     1.02829    45.92666   167.76479
    3     1 S   H    _H1_     3     1.02785   104.29135   -91.02022
    4     1 S   H    _H2_     4     1.02950    64.87120    12.83533
    5     1 S   CT   _CA1     5     1.50114   142.23127   104.17541
    6     5 S   HC   _HA1     6     1.09573   105.20120   102.72601
    7     5 S   CO3  _C1_     7     1.53790   112.43314   -17.51718
    8     7 S   O2Z  _O11     8     1.26373   115.00770   -43.18680
    9     7 S   O2Z  _O12     9     1.26239   114.94462   135.92962
   10     5 S   CT   _CB1    10     1.53079   107.42000  -139.29850
   11    10 S   HC   HB11    11     1.09833   109.38232   -49.76851
   12    10 S   HC   HB12    12     1.09813   110.44487    66.83807
   13    10 S   CT   _CG1    13     1.52991   112.60311  -170.74832
   14    13 S   HC   HG11    14     1.09584   110.61838   -65.27880
   15    13 S   HC   HG12    15     1.09669   109.80341    53.95478
   16    13 S   C    _CD1    16     1.51801   112.22631   174.40683
   17    16 S   O    _OE1    17     1.22733   123.28659     6.25363
   18    16 S   N    _N2_    18     1.38654   111.67434  -173.84757
   19    18 S   H    _HN2    19     1.01580   118.94722     1.72760
   20    18 S   CT1  _CA2    20     1.46187   123.37988   177.78875
   21    20 S   HC   _HA2    21     1.09736   109.35573     2.40241
   22    20 S   C    _C2_    22     1.53544   108.67193  -113.10986
   23    22 S   O    _O2_    23     1.23063   122.25771  -148.11550
   24    20 S   CT   _CB2    32     1.53322   111.61367   124.37949
   25    24 S   HC   HB21    33     1.09587   110.10955    56.44651
   26    24 S   HC   HB22    34     1.09433   110.02773   175.43160
   27    22 S   N    _N3_    24     1.38321   113.72215    39.33295
   28    27 S   H    _HN3    25     1.01587   119.58486    -3.36686
   29    24 S   S    _SG2    35     1.82783   111.53707   -64.36235
   30    27 S   CT   _CA3    26     1.45287   123.20285   177.10991
   31    30 S   HC   HA31    27     1.09550   107.50905   -64.54226
   32    30 S   HC   HA32    28     1.09557   107.98335    51.89215
   33    29 S   CT   _C20    36     1.85066    99.47900   177.08832
   34    33 S   HC   _H10    37     1.09370   102.61232   -48.85642
   35    30 S   CO3  _C3_    29     1.52959   114.08869   173.88907
   36    35 S   O2Z  _O31    30     1.26376   116.06791    -0.72335
   37    35 S   O2Z  _O32    31     1.26429   114.41154   179.33943
   38    33 S   CT   _C19    38     1.53579   108.89992  -163.18466
   39    38 S   HC   _H9_    39     1.09918   109.68219   -55.25916
   40    38 S   CO4  _C18    40     1.53302   113.09389  -174.53166
   41    40 S   O    _O35    41     1.23320   118.69132   172.25372
   42    38 S   OS   _O36   100     1.42912   109.02884    67.72387
   43    40 S   CT   _C17    42     1.55756   118.40345    -3.76385
   44    42 S   CT   _C21   101     1.42152   113.10610  -139.19050
   45    44 S   HC   _H21   102     1.09328   108.24218  -179.22267
   46    44 S   HC   _H22   103     1.09423   110.37846    62.20033
   47    44 S   HC   _H23   104     1.09339   111.03222   -60.19363
   48    43 S   CT   _C6_    43     1.56763    99.80307    55.49753
   49    48 S   HC   _H4_    44     1.10270   105.57625    51.97592
   50    43 S   CT   _C22    96     1.54199   110.15032   -64.95365
   51    50 S   HC   _H24    97     1.09471   112.04982   115.52922
   52    50 S   HC   _H25    98     1.09539   112.06705    -6.43035
   53    50 S   HC   _H26    99     1.09089   113.48776  -125.42650
   54    48 S   CT   _C7_    45     1.53729   113.25729   167.13104
   55    54 S   HC   _H15    46     1.09406   110.37055    67.67845
   56    54 S   HC   _H16    47     1.09656   109.32251  -176.25728
   57    33 S   CT   _C5_    90     1.55351   115.15353    69.25683
   58    57 S   HC   _H3_    91     1.09876   106.82660   -79.37804
   59    54 S   CT   _C8_    48     1.53226   111.52837   -56.94135
   60    59 S   HC   _H5_    49     1.09841   107.78655   179.51061
   61    57 S   CT   _C4_    92     1.54252   113.71847    37.95953
   62    61 S   HC   _H12    93     1.09533   111.13290    54.55789
   63    61 S   HC   _H13    94     1.09386   111.81375   -66.73800
   64    61 S   HC   _H14    95     1.09418   111.62618   174.63089
   65    59 S   CT   _C9_    50     1.54444   112.58654    57.87112
   66    65 S   CT   _C10    51     1.57327   108.03408  -172.99243
   67    66 S   HC   _H6_    52     1.09780   106.41360   -64.64892
   68    65 S   CT   _C29    86     1.55476   105.70703    70.15232
   69    68 S   HC   _H35    87     1.09163   112.97881   -56.42238
   70    68 S   HC   _H36    88     1.08776   113.95490  -177.03634
   71    68 S   HC   _H37    89     1.09616   110.46591    62.34401
   72    66 S   CT   _C11    53     1.54018   110.74590    49.37806
   73    72 S   HC   _H17    54     1.09697   108.66303  -162.34988
   74    72 S   HC   _H18    55     1.09530   111.39203    79.46613
   75    66 S   CT   _C13    59     1.57900   114.37442   175.33108
   76    72 S   CO4  _C12    56     1.50013   116.71214   -42.82420
   77    76 S   O    _O33    57     1.22783   121.71703  -152.25145
   78    75 S   CT   _C14    60     1.55196   110.54973   -46.65458
   79    78 S   HC   _H19    61     1.09916   109.97467   -74.56426
   80    78 S   HC   _H20    62     1.09900   110.42102   171.05056
   81    75 S   CO4  _C24    69     1.55458   112.48758    76.96498
   82    81 S   O    _O38    70     1.23452   121.40448  -122.06918
   83    75 S   CT   _C23    82     1.55194   112.67161  -165.63689
   84    83 S   HC   _H28    83     1.09538   112.18668    70.13418
   85    83 S   HC   _H29    84     1.09521   111.76601   -50.73579
   86    83 S   HC   _H30    85     1.09706   111.04308  -170.43503
   87    59 S   OS   _O34    58     1.44009   106.04603   -67.46792
   88    78 S   CT   _C15    63     1.53447   114.99726    47.27948
   89    88 S   HC   _H7_    64     1.09102   109.18008    66.76002
   90    81 S   CT   _C25    71     1.52911   118.72511    61.08571
   91    90 S   HC   _H11    72     1.09357   110.99604   -11.29728
   92    43 S   CT   _C16    65     1.59015   110.97794   171.51032
   93    92 S   HC   _H8_    66     1.09947   103.66642   -40.21717
   94    88 S   OH   _O37    67     1.42177   108.03736  -179.11574
   95    94 S   HO   _H27    68     0.97223   107.92892   -58.75932
   96    90 S   CT   _C26    73     1.51607   112.57695  -133.78272
   97    96 S   HC   _H31    74     1.09376   110.75397   103.46280
   98    96 S   HC   _H32    75     1.09353   113.61156   -20.58629
   99    96 S   CO4  _C27    76     1.49568   103.89965  -138.89374
  100    99 S   O    _O39    77     1.22166   125.00578  -169.34085
  101    99 S   OS   _O40    78     1.36070   110.61703    11.45449
  102    90 S   CT   _C28    79     1.51580   110.66723   110.50308
  103   102 S   HC   _H33    80     1.09480   111.27187   -99.58062
  104   102 S   HC   _H34    81     1.09529   113.71900    22.51194
  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  10   5   4   3
  17   8   2   1   1  15   6  16   5   6  22   3   2   1   1  21
   9   9   3   2   1  13   6   5   7   4  16   6   3   2   1   1
  20  25  10   9   3   2   1  10   5   4  18   2   1  15   7   6
  16   5   5   2   1   1   1   5   4  10   8   3   1   1   1   8
   5   4   5   2   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    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    57    58    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    48    49    54    57    58    61    62    63    64    42    44  
   38    39    40    48    57    58    61    42  
   36    37  
   37  
    0  
   39    40    41    43    48    92    57    58    61    50    42    44    45    46    47  
   40    41    43    57    42    44  
   41    43    48    49    54    65    88    92    93    57    50    51    52    53    42    44  
   43    48    92    50    42  
   44    45    46    47    43    57  
   48    49    54    55    56    59    65    66    78    88    89    92    93    94    68    57    58    61    50    51    52    53  
   45    46    47  
   46    47  
   47  
    0  
   49    54    55    56    59    60    65    87    88    92    93    57    58    61    62    63    64    50    51    52    53  
   54    55    56    59    92    57    58    61    50  
   51    52    53    54    57    65    88    92    93  
   52    53    92  
   53    92  
   92  
   55    56    59    60    65    66    76    87    92    68    57    58    61  
   56    59    60    65    87    57  
   59    60    65    87    57  
   58    61    62    63    64    59    92  
   61    62    63    64  
   60    65    66    67    72    76    77    87    75    88    92    93    68    69    70    71  
   65    66    76    87    92    68  
   62    63    64  
   63    64  
   64  
    0  
   66    67    72    73    74    76    87    75    78    88    89    92    93    94    81    83    68    69    70    71  
   67    72    73    74    76    77    87    75    78    79    80    88    92    93    81    82    90    83    84    85    86    68    69    70    71  
   72    73    74    76    75    78    92    81    83    68  
   69    70    71    72    75    87    88    92    93  
   70    71    92  
   71    92  
   92  
   73    74    76    77    87    75    78    92    81    83  
   74    76    77    87    75  
   76    77    87    75  
   78    79    80    88    89    92    94    81    82    90    91    96   102    83    84    85    86    76  
   77    87  
   87  
   79    80    88    89    92    93    94    95    81    82    90    83    84    85    86  
   80    88    89    92    94    81    83  
   88    89    92    94    81    83  
   82    90    91    96    97    98    99   101   102   103   104    83    84    85    86    88  
   90    91    96   102    83  
   84    85    86    88    90  
   85    86  
   86  
    0  
   92  
   89    92    93    94    95  
   92    93    94    95  
   91    96    97    98    99   100   101   102   103   104  
   96    97    98    99   101   102   103   104  
   93    94    95  
   94  
   95  
    0  
   97    98    99   100   101   102   103   104  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102   103   104  
  101   102  
  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   0.107500   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   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   3.5000   0.0660  -0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   0.190000   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
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   268.000  1.529
   33    57   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    48   268.000  1.529
   43    92   268.000  1.529
   43    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    87   320.000  1.410
   65    66   268.000  1.529
   65    92   268.000  1.529
   65    68   268.000  1.529
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   317.000  1.522
   76    77   570.000  1.229
   76    87   214.000  1.327
   75    78   268.000  1.529
   75    81   317.000  1.522
   75    83   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    88   268.000  1.529
   88    89   340.000  1.090
   88    92   268.000  1.529
   88    94   320.000  1.410
   92    93   340.000  1.090
   94    95   553.000  0.945
   81    82   570.000  1.229
   81    90   317.000  1.522
   90    91   340.000  1.090
   90    96   268.000  1.529
   90   102   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   317.000  1.522
   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
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   57    58   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   42    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    57    48    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    61    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    44    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    48    63.00000  111.10000
   40    43    92    63.00000  111.10000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    48    49    37.50000  110.70000
   43    48    54    58.35000  112.70000
   43    48    57    58.35000  112.70000
   43    92    65    58.35000  112.70000
   43    92    88    58.35000  112.70000
   43    92    93    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    59    58.35000  112.70000
   48    57    58    37.50000  110.70000
   48    57    61    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    65    58.35000  112.70000
   54    59    87    50.00000  109.50000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    65    66    58.35000  112.70000
   59    65    92    58.35000  112.70000
   59    65    68    58.35000  112.70000
   59    87    76    83.00000  116.90000
   65    59    60    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    72    58.35000  112.70000
   65    66    75    58.35000  112.70000
   65    92    88    58.35000  112.70000
   65    92    93    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    76    63.00000  111.10000
   66    75    78    58.35000  112.70000
   66    75    81    63.00000  111.10000
   66    75    83    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    76    77    80.00000  120.40000
   72    76    87    81.00000  111.40000
   74    72    73    33.00000  107.80000
   76    72    73    35.00000  109.50000
   76    72    74    35.00000  109.50000
   87    59    60    35.00000  109.50000
   87    59    65    50.00000  109.50000
   87    76    77    83.00000  123.40000
   75    66    67    37.50000  110.70000
   75    66    72    58.35000  112.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    88    58.35000  112.70000
   75    81    82    80.00000  120.40000
   75    81    90    70.00000  116.00000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   78    88    89    37.50000  110.70000
   78    88    92    58.35000  112.70000
   78    88    94    50.00000  109.50000
   80    78    79    33.00000  107.80000
   88    78    79    37.50000  110.70000
   88    78    80    37.50000  110.70000
   88    92    93    37.50000  110.70000
   88    94    95    55.00000  108.50000
   92    43    48    58.35000  112.70000
   92    65    66    58.35000  112.70000
   92    88    89    37.50000  110.70000
   94    88    89    35.00000  109.50000
   94    88    92    50.00000  109.50000
   81    75    78    63.00000  111.10000
   81    90    91    35.00000  109.50000
   81    90    96    63.00000  111.10000
   81    90   102    63.00000  111.10000
   90    81    82    80.00000  120.40000
   90    96    97    37.50000  110.70000
   90    96    98    37.50000  110.70000
   90    96    99    63.00000  111.10000
   90   102   101    50.00000  109.50000
   90   102   103    37.50000  110.70000
   90   102   104    37.50000  110.70000
   96    90    91    37.50000  110.70000
   96    99   100    80.00000  120.40000
   96    99   101    81.00000  111.40000
   98    96    97    33.00000  107.80000
   99    96    97    35.00000  109.50000
   99    96    98    35.00000  109.50000
   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
  102    90    91    37.50000  110.70000
  102    90    96    58.35000  112.70000
  104   102   103    33.00000  107.80000
   83    75    78    58.35000  112.70000
   83    75    81    63.00000  111.10000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   68    65    66    58.35000  112.70000
   68    65    92    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    48    54    58.35000  112.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   61    57    58    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   50    43    48    58.35000  112.70000
   50    43    92    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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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   82    81    90   102   0.30150 -1.0 2.0
   90    96    99   100   0.30150 -1.0 2.0
   90    96   -99   101   0.36750  1.0 3.0
   91    90    96    97   0.15000  1.0 3.0
   91    90    96    98   0.15000  1.0 3.0
   91    90    96    99  -0.11250  1.0 3.0
   91    90   102   101   0.23400  1.0 3.0
   91    90   102   103   0.15000  1.0 3.0
   91    90   102   104   0.15000  1.0 3.0
   96    90  -102   101   0.62750  1.0 1.0
   96    90  -102   101  -0.30950 -1.0 2.0
   96    90  -102   101   0.27300  1.0 3.0
   96    90   102   103   0.15000  1.0 3.0
   96    90   102   104   0.15000  1.0 3.0
   96    99  -101   102   1.63150  1.0 1.0
   96    99  -101   102   2.92000 -1.0 2.0
   97    96    99   100   0.00000  1.0 1.0
   97    96    99   101   0.00000  1.0 1.0
   98    96    99   100   0.00000  1.0 1.0
   98    96    99   101   0.00000  1.0 1.0
   99   101  -102    90  -0.25900  1.0 1.0
   99   101  -102    90  -0.47000 -1.0 2.0
   99   101  -102    90   0.11750  1.0 3.0
   99   101   102   103   0.08050  1.0 3.0
   99   101   102   104   0.08050  1.0 3.0
  100    99   101   102   3.00000 -1.0 2.0
  102    90    96    97   0.15000  1.0 3.0
  102    90    96    98   0.15000  1.0 3.0
  102    90   -96    99  -0.95700  1.0 1.0
  102    90   -96    99  -0.18200 -1.0 2.0
  102    90   -96    99   0.29450  1.0 3.0
   83    75    78    79   0.15000  1.0 3.0
   83    75    78    80   0.15000  1.0 3.0
   83    75    78    88   0.56750  1.0 1.0
   83    75    78    88  -0.07550 -1.0 2.0
   83    75    78    88   0.20000  1.0 3.0
   83    75    81    82   0.30150 -1.0 2.0
   83    75    81    90   0.60050  1.0 1.0
   83    75    81    90   0.05600 -1.0 2.0
   83    75    81    90   0.26150  1.0 3.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    72   0.56750  1.0 1.0
   68    65    66    72  -0.07550 -1.0 2.0
   68    65    66    72   0.20000  1.0 3.0
   68    65    66    75   0.56750  1.0 1.0
   68    65    66    75  -0.07550 -1.0 2.0
   68    65    66    75   0.20000  1.0 3.0
   68    65    92    43   0.56750  1.0 1.0
   68    65    92    43  -0.07550 -1.0 2.0
   68    65    92    43   0.20000  1.0 3.0
   68    65    92    88   0.56750  1.0 1.0
   68    65    92    88  -0.07550 -1.0 2.0
   68    65    92    88   0.20000  1.0 3.0
   68    65    92    93   0.15000  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40  -0.95700  1.0 1.0
   57    33   -38    40  -0.18200 -1.0 2.0
   57    33   -38    40   0.29450  1.0 3.0
   57    33    38    42   0.62750  1.0 1.0
   57    33    38    42  -0.30950 -1.0 2.0
   57    33    38    42   0.27300  1.0 3.0
   57    48    54    55   0.15000  1.0 3.0
   57    48    54    56   0.15000  1.0 3.0
   57    48    54    59   0.56750  1.0 1.0
   57    48    54    59  -0.07550 -1.0 2.0
   57    48    54    59   0.20000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    64   0.15000  1.0 3.0
   50    43    48    49   0.15000  1.0 3.0
   50    43    48    54   0.56750  1.0 1.0
   50    43    48    54  -0.07550 -1.0 2.0
   50    43    48    54   0.20000  1.0 3.0
   50    43    48    57   0.56750  1.0 1.0
   50    43    48    57  -0.07550 -1.0 2.0
   50    43    48    57   0.20000  1.0 3.0
   50    43    92    65   0.56750  1.0 1.0
   50    43    92    65  -0.07550 -1.0 2.0
   50    43    92    65   0.20000  1.0 3.0
   50    43    92    88   0.56750  1.0 1.0
   50    43    92    88  -0.07550 -1.0 2.0
   50    43    92    88   0.20000  1.0 3.0
   50    43    92    93   0.15000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  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
   36    30    35    37  10.50000 -1.0 2.0
   38    43    40    41  10.50000 -1.0 2.0
   72    87    76    77  10.50000 -1.0 2.0
   75    90    81    82  10.50000 -1.0 2.0
   96   101    99   100  10.50000 -1.0 2.0
END
