* LIGAND DATABASE FILE (OPLS2005)
*
001     100   103    198    322     592
    1     0 S   NP   _N1_     1    28.08389    96.98840   -22.29308
    2     1 S   H    _HN1     2     1.02776   101.14859  -104.84317
    3     1 S   H    _H1_     3     1.02956    71.77882     0.99426
    4     1 S   H    _H2_     4     1.02835    40.41721   150.57746
    5     1 S   CT   _CA1     5     1.50146   142.89891   100.93022
    6     5 S   HC   _HA1     6     1.09576   105.18231    91.04385
    7     5 S   CO3  _C1_     7     1.53763   112.38669   -29.08437
    8     7 S   O2Z  _O11     8     1.26365   114.99095   -42.85380
    9     7 S   O2Z  _O12     9     1.26234   114.92537   136.15037
   10     5 S   CT   _CB1    10     1.53085   107.41262  -151.07092
   11    10 S   HC   HB11    11     1.09830   109.25148   -50.39102
   12    10 S   HC   HB12    12     1.09814   110.44977    66.13796
   13    10 S   CT   _CG1    13     1.53040   112.73278  -171.46045
   14    13 S   HC   HG11    14     1.09590   110.52824   -66.01002
   15    13 S   HC   HG12    15     1.09661   109.88348    53.21234
   16    13 S   C    _CD1    16     1.51851   112.25143   173.52985
   17    16 S   O    _OE1    17     1.22771   123.26938     2.71022
   18    16 S   N    _N2_    18     1.38565   111.79436  -177.13024
   19    18 S   H    _HN2    19     1.01555   119.13666     3.42331
   20    18 S   CT1  _CA2    20     1.45781   122.70863   177.57457
   21    20 S   HC   _HA2    21     1.09735   108.85584    27.45926
   22    20 S   C    _C2_    22     1.52969   107.15723   -89.70806
   23    22 S   O    _O2_    23     1.22955   122.95966   -27.37644
   24    20 S   CT   _CB2    32     1.53337   112.47779   150.85602
   25    24 S   HC   HB21    33     1.09533   109.67203    53.32987
   26    24 S   HC   HB22    34     1.09272   109.57717   171.73112
   27    22 S   N    _N3_    24     1.38647   112.35119   155.71534
   28    27 S   H    _HN3    25     1.01512   119.65193     0.54608
   29    24 S   S    _SG2    35     1.82630   110.95467   -66.87665
   30    27 S   CT   _CA3    26     1.45425   122.79712   174.46806
   31    30 S   HC   HA31    27     1.09540   108.88895    31.79827
   32    30 S   HC   HA32    28     1.09475   107.20946   148.96240
   33    29 S   CT   _C15    36     1.89237   102.55856  -166.40563
   34    30 S   CO3  _C3_    29     1.53092   113.55792   -91.12786
   35    34 S   O2Z  _O31    30     1.26380   115.84046   -31.06483
   36    34 S   O2Z  _O32    31     1.26408   114.68065   149.76221
   37    33 S   CM   _C16    37     1.52658   105.55336  -165.43584
   38    33 S   CT   _C14    48     1.54952   110.47168   -47.50217
   39    38 S   HC   _H14    49     1.09532   110.48778   174.19654
   40    38 S   HC   _H15    50     1.09640   111.31664    59.86056
   41    33 S   CT   _C18    76     1.56213   106.88571    74.13605
   42    41 S   HC   _H16    77     1.09697   110.33630   -51.74747
   43    41 S   HC   _H17    78     1.09786   108.20666    60.92920
   44    37 S   CM   _C11    38     1.44484   118.89735   112.57415
   45    37 S   CMA  _C17    73     1.52509   124.23465   -62.93151
   46    45 S   OM   _O35    74     1.26317   121.23738   -79.85430
   47    45 S   OM   _O36    75     1.26457   120.65543   101.19185
   48    41 S   CT   _C19    79     1.53766   118.80497  -174.89500
   49    44 S   CM   _C10    39     1.33854   125.87837   142.07869
   50    49 S   HC   _H13    40     1.08094   125.14704     2.43486
   51    48 S   CT   _C20    80     1.54366   114.50195    91.54897
   52    51 S   HC   _H18    81     1.09519   112.30571    84.21050
   53    51 S   HC   _H19    82     1.09329   113.12472   -37.28191
   54    49 S   CT   _C9_    41     1.48783   111.58601  -176.53389
   55    54 S   HC   _H11    42     1.09503   110.45226   139.94624
   56    54 S   HC   _H12    43     1.09587   109.42854  -100.99360
   57    51 S   CT   _C21    83     1.52711   102.15859  -155.10336
   58    57 S   HC   _H20    84     1.09690   108.88101   109.42504
   59    57 S   HC   _H21    85     1.09207   113.66212  -130.48981
   60    54 S   CT   _C8_    44     1.57047   103.65922    19.50080
   61    57 S   CT   _C22    86     1.52538   102.01896    -6.54344
   62    61 S   HC   _H5_    87     1.09331   113.77599   158.50311
   63    44 S   CT   _C12    45     1.53024   121.97196   -35.55229
   64    60 S   CT   _C28    57     1.55688   106.28216    87.42126
   65    64 S   HC   _H34    58     1.09154   112.75872   171.88734
   66    64 S   HC   _H35    59     1.09589   111.31363    52.48670
   67    64 S   HC   _H36    60     1.09425   112.15770   -66.15069
   68    60 S   CT   _C5_    61     1.58465   108.29110  -153.59579
   69    68 S   HC   _H3_    62     1.09744   107.32284    55.71376
   70    61 S   CT   _C23    88     1.54468   113.91871   -67.21631
   71    48 S   OS   _O37   100     1.44247   116.20048   -26.83225
   72    63 S   CT   _C13    46     1.56643   110.77781    30.10657
   73    72 S   HC   _H4_    47     1.09601   109.10530  -106.06663
   74    63 S   CT   _C27    53     1.55434   106.14642   -86.50733
   75    74 S   HC   _H31    54     1.09367   111.71224   178.69509
   76    74 S   HC   _H32    55     1.09686   111.35015    59.45546
   77    74 S   HC   _H33    56     1.09579   112.42412   -60.08121
   78    68 S   CT   _C4_    63     1.54458   112.42317   -59.75571
   79    78 S   HC   _H6_    64     1.09460   111.67784   -69.69951
   80    78 S   HC   _H7_    65     1.09520   110.96493   170.72589
   81    78 S   HC   _H8_    66     1.09344   111.95211    51.98487
   82    68 S   CT   _C6_    67     1.53970   114.79390   175.54086
   83    82 S   HC   _H9_    68     1.09255   110.54619   -53.11289
   84    82 S   HC   _H10    69     1.09624   110.13832    65.33947
   85    48 S   CT   _C24    89     1.54597   113.76769  -143.51065
   86    85 S   HC   _H22    90     1.09577   111.10387    40.69540
   87    85 S   HC   _H23    91     1.09550   111.89752   -79.27863
   88    70 S   CT   _C25    92     1.52944   114.43888   -50.67250
   89    88 S   HC   _H24    93     1.09538   110.95220   -56.46751
   90    88 S   HC   _H25    94     1.09599   110.85831  -176.32400
   91    88 S   HC   _H26    95     1.09450   112.20570    64.42363
   92    70 S   CT   _C26    96     1.53944   109.62472  -173.08869
   93    92 S   HC   _H27    97     1.09583   110.83235    66.50695
   94    92 S   HC   _H28    98     1.09517   111.83821   -53.36421
   95    92 S   HC   _H29    99     1.09577   111.05601  -173.62714
   96    72 S   OH   _O38    51     1.42229   113.07769   137.70360
   97    96 S   HO   _H30    52     0.97205   107.86771   175.43160
   98    82 S   CO3  _C7_    70     1.53516   115.45558  -171.13614
   99    98 S   O2Z  _O34    71     1.26250   115.95382    40.58703
  100    98 S   O2Z  _O33    72     1.26424   114.61751  -140.38215
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  20   2   1   1  18  15   6   5  16   5   4  19   4   1   1  15
  10   5  12   7   6  14   5   4   9   5   4  22  14   5  16   9
   3   2   1  13   8  12   5   7   3   4   2   1   1   7   3   2
   1   5   4   3  10   3   2   7   3   2   1   3   2   1   1   1
   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    44    72    38    39    40    45    41    42    43    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    44    49    63    72    73    38    39    40    96    45    46    47    41    42    43    48    51    85    71  
   35    36  
   36  
    0  
   44    49    50    54    60    63    72    38    39    40    74    45    46    47    41    42    43    48  
   39    40    96    97    74    45    41    42    43    48    44    60    63    72    73  
   40    96    41    63    72    73  
   96    41    63    72    73  
   42    43    48    51    52    53    57    61    70    85    86    87    71    44    45    72  
   43    48    51    85    71  
   48    51    85    71  
   49    50    54    55    56    60    63    72    73    96    74    75    76    77    64    68    45    46    47  
   46    47    49    63  
   47  
    0  
   51    52    53    57    58    59    61    62    70    85    86    87    88    92    71  
   50    54    55    56    60    63    72    74    64    68  
   54    55    56    60    63  
   52    53    57    58    59    61    62    70    85    86    87    71  
   53    57    58    59    61    85    71  
   57    58    59    61    85    71  
   55    56    60    63    72    74    64    65    66    67    68    69    78    82  
   56    60    63    64    68  
   60    63    64    68  
   58    59    61    62    70    85    88    92    71  
   59    61    62    70    71  
   61    62    70    71  
   63    72    73    96    74    75    76    77    64    65    66    67    68    69    78    79    80    81    82    83    84    98  
   62    70    85    86    87    88    89    90    91    92    93    94    95    71  
   70    85    88    92    71  
   72    73    96    97    74    75    76    77    64    65    66    67    68    69    78    82  
   65    66    67    68    69    78    82    72    74  
   66    67    68  
   67    68  
   68  
   69    78    79    80    81    82    83    84    98    99   100    72    74  
   78    79    80    81    82    83    84    98  
   85    86    87    88    89    90    91    92    93    94    95    71  
   85    86    87    88    92  
   73    96    97    74    75    76    77  
   96    97    74  
   75    76    77    96  
   76    77  
   77  
    0  
   79    80    81    82    83    84    98  
   80    81    82  
   81    82  
   82  
   83    84    98    99   100  
   84    98    99   100  
   98    99   100  
   86    87    88    89    90    91    92    93    94    95  
   87    88    92  
   88    92  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95  
   94    95  
   95  
    0  
   97  
    0  
   99   100  
  100  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   47   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    41   268.000  1.529
   37    44   380.000  1.444
   37    45   465.000  1.376
   44    49   549.000  1.340
   44    63   317.000  1.510
   49    50   340.000  1.080
   49    54   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    63   268.000  1.529
   60    64   268.000  1.529
   60    68   268.000  1.529
   63    72   268.000  1.529
   63    74   268.000  1.529
   72    73   340.000  1.090
   72    38   268.000  1.529
   72    96   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   96    97   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    78   268.000  1.529
   68    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    98   317.000  1.522
   98    99   656.000  1.250
   98   100   656.000  1.250
   45    46   745.000  1.250
   45    47   745.000  1.250
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    51   268.000  1.529
   48    85   268.000  1.529
   48    71   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    70   268.000  1.529
   61    71   320.000  1.410
   70    85   268.000  1.529
   70    88   268.000  1.529
   70    92   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    44    70.00000  124.00000
   33    37    45    70.00000  124.00000
   33    38    72    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    48    58.35000  112.70000
   37    44    49    70.00000  123.01800
   37    44    63    70.00000  124.00000
   37    45    46    65.00000  137.10300
   37    45    47    65.00000  137.10300
   44    49    50    35.00000  120.00000
   44    49    54    70.00000  124.00000
   44    63    60    70.00000  112.02700
   44    63    72    70.00000  112.02700
   44    63    74    70.00000  112.02700
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   49    54    60    70.00000  112.02700
   54    49    50    35.00000  117.00000
   54    60    63    58.35000  112.70000
   54    60    64    58.35000  112.70000
   54    60    68    58.35000  112.70000
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    63    72    58.35000  112.70000
   60    63    74    58.35000  112.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    78    58.35000  112.70000
   60    68    82    58.35000  112.70000
   63    44    49    70.00000  124.00000
   63    72    73    37.50000  110.70000
   63    72    38    58.35000  112.70000
   63    72    96    50.00000  109.50000
   63    74    75    37.50000  110.70000
   63    74    76    37.50000  110.70000
   63    74    77    37.50000  110.70000
   72    38    39    37.50000  110.70000
   72    38    40    37.50000  110.70000
   72    96    97    55.00000  108.50000
   38    33    37    70.00000  112.02700
   38    72    73    37.50000  110.70000
   40    38    39    33.00000  107.80000
   96    72    73    35.00000  109.50000
   96    72    38    50.00000  109.50000
   74    63    72    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   64    60    63    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    60    63    58.35000  112.70000
   68    60    64    58.35000  112.70000
   68    78    79    37.50000  110.70000
   68    78    80    37.50000  110.70000
   68    78    81    37.50000  110.70000
   68    82    83    37.50000  110.70000
   68    82    84    37.50000  110.70000
   68    82    98    70.00000  109.69300
   78    68    69    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    68    69    37.50000  110.70000
   82    68    78    58.35000  112.70000
   82    98    99    70.00000  117.00000
   82    98   100    70.00000  117.00000
   84    82    83    33.00000  107.80000
   98    82    83    35.00000  109.50000
   98    82    84    35.00000  109.50000
  100    98    99    80.00000  126.00000
   45    37    44    70.00000  117.34000
   47    45    46    65.00000  121.00000
   41    33    37    70.00000  112.02700
   41    33    38    58.35000  112.70000
   41    48    51    58.35000  112.70000
   41    48    85    58.35000  112.70000
   41    48    71    50.00000  109.50000
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    57    58.35000  112.70000
   48    85    70    58.35000  112.70000
   48    85    86    37.50000  110.70000
   48    85    87    37.50000  110.70000
   48    71    61    60.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    70    58.35000  112.70000
   57    61    71    50.00000  109.50000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    70    85    58.35000  112.70000
   61    70    88    58.35000  112.70000
   61    70    92    58.35000  112.70000
   70    61    62    37.50000  110.70000
   70    85    86    37.50000  110.70000
   70    85    87    37.50000  110.70000
   70    88    89    37.50000  110.70000
   70    88    90    37.50000  110.70000
   70    88    91    37.50000  110.70000
   70    92    93    37.50000  110.70000
   70    92    94    37.50000  110.70000
   70    92    95    37.50000  110.70000
   85    48    51    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    70    85    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    70    85    58.35000  112.70000
   92    70    88    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   71    48    51    50.00000  109.50000
   71    48    85    50.00000  109.50000
   71    61    62    35.00000  109.50000
   71    61    70    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
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   92    70    85    86   0.15000  1.0 3.0
   92    70    85    87   0.15000  1.0 3.0
   92    70    88    89   0.15000  1.0 3.0
   92    70    88    90   0.15000  1.0 3.0
   92    70    88    91   0.15000  1.0 3.0
   71    48    51    52   0.23400  1.0 3.0
   71    48    51    53   0.23400  1.0 3.0
   71    48   -51    57   0.62750  1.0 1.0
   71    48   -51    57  -0.30950 -1.0 2.0
   71    48   -51    57   0.27300  1.0 3.0
   71    48   -85    70   0.62750  1.0 1.0
   71    48   -85    70  -0.30950 -1.0 2.0
   71    48   -85    70   0.27300  1.0 3.0
   71    48    85    86   0.23400  1.0 3.0
   71    48    85    87   0.23400  1.0 3.0
   71    61   -70    85   0.62750  1.0 1.0
   71    61   -70    85  -0.30950 -1.0 2.0
   71    61   -70    85   0.27300  1.0 3.0
   71    61    70    88   0.62750  1.0 1.0
   71    61    70    88  -0.30950 -1.0 2.0
   71    61    70    88   0.27300  1.0 3.0
   71    61    70    92   0.62750  1.0 1.0
   71    61    70    92  -0.30950 -1.0 2.0
   71    61    70    92   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    45   1.10000 -1.0 2.0
   37    63    44    49   1.10000 -1.0 2.0
   54    50    49    44   1.10000 -1.0 2.0
   99    82    98   100  10.50000 -1.0 2.0
   46    47    45    37   1.10000 -1.0 2.0
END
