* LIGAND DATABASE FILE (OPLS2005)
*
001     106   110    206    325     605
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02048   104.34552   -34.86985
    3     1 S   H    _H1_     3     1.02044    68.75416    69.92373
    4     1 S   H    _H2_     4     1.02157    44.29394  -137.07867
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C10    36     1.83277    97.77864   -78.11749
   34    33 S   HC   _H4_    37     1.09012   104.42707    40.35427
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C11    38     1.50474   108.11798   -80.05877
   39    38 S   HC   _H17    39     1.09083   115.46931   -60.35386
   40    33 S   CM   _C9_    93     1.50992   110.10044   156.49761
   41    40 S   HC   _H16    94     1.08964   118.20218     9.92906
   42    38 S   CM   _C12    40     1.34193   128.95932   120.55991
   43    42 S   HC   _H18    41     1.08813   117.86032   179.23792
   44    42 S   CO4  _C13    42     1.48217   125.92938     0.48658
   45    44 S   O    _O34    43     1.21903   126.60180    -8.06436
   46    44 S   OS   _O35    44     1.36078   107.11510   171.24476
   47    46 S   CT   _C14    45     1.44892   117.31200  -174.11600
   48    47 S   HC   _H5_    46     1.08954   107.55546    46.86843
   49    47 S   CT   _C15    47     1.55364   109.50307   -74.76962
   50    49 S   HC   _H19    48     1.09622   110.52781     2.47860
   51    49 S   HC   _H20    49     1.09393   111.52729   122.83259
   52    49 S   CT   _C16    50     1.53501   104.90061  -115.69830
   53    52 S   HC   _H6_    51     1.09441   111.73711   148.16550
   54    52 S   C3T  _C17    52     1.48707   102.72397    25.73845
   55    52 S   OS   _O36    70     1.43082   112.10660   -90.22324
   56    54 S   C3T  _C30    53     1.51010   125.01315   149.04973
   57    56 S   HC   _H35    54     1.08302   118.25515     7.98372
   58    56 S   HC   _H36    55     1.08090   119.26137   155.36474
   59    47 S   CT   _C18    57     1.58027   109.37422   169.50844
   60    54 S   O3T  _O40    56     1.43700   114.07962    82.18494
   61    59 S   CT   _C19    58     1.61279   111.52934  -159.39504
   62    59 S   CT   _C29   103     1.53539   112.14205   -30.72420
   63    62 S   HC   _H32   104     1.08616   109.36336   179.98022
   64    62 S   HC   _H33   105     1.08627   109.39209    60.02840
   65    62 S   HC   _H34   106     1.08529   109.40176   -59.93622
   66    61 S   CT   _C20    59     1.56668   110.59435  -169.56753
   67    66 S   HC   _H21    60     1.09357   110.27578    54.57574
   68    66 S   HC   _H22    61     1.09526   110.99043   -63.15267
   69    61 S   CT   _C26    75     1.56680   111.66721    71.48545
   70    69 S   HC   _H29    76     1.09501   110.19912    48.83388
   71    69 S   HC   _H30    77     1.09381   110.93977   166.53907
   72    66 S   CT   _C21    62     1.53713   114.34087   174.33206
   73    72 S   HC   _H23    63     1.09785   108.04806  -160.93437
   74    72 S   HC   _H24    64     1.09654   109.82965    83.65616
   75    69 S   OS   _O37    78     1.43667   113.31606   -75.33836
   76    72 S   CM   _C22    65     1.50476   114.13841   -39.05386
   77    75 S   CO4  _C27    79     1.36406   115.48815   167.67475
   78    77 S   O    _O38    80     1.22590   125.84982    -9.48753
   79    76 S   CM   _C23    66     1.34314   122.08461     9.19804
   80    79 S   HC   _H25    67     1.08767   119.35902  -178.69464
   81    76 S   CT   _C25    71     1.49986   116.08446  -170.74683
   82    81 S   HC   _H26    72     1.08771   109.46833   -90.02352
   83    81 S   HC   _H27    73     1.08722   109.53542   149.76049
   84    81 S   HC   _H28    74     1.08820   109.43139    30.08537
   85    77 S   CT   _C28    81     1.51406   111.49528   168.78904
   86    85 S   HC   _H8_    82     1.09754   107.79862  -167.49923
   87    61 S   CT   _C24    68     1.57247   109.04387   -51.67808
   88    87 S   HC   _H7_    69     1.09571   109.78444    77.13940
   89    85 S   CT   _C5_    83     1.54154   114.81841    69.68710
   90    89 S   HC   _H3_    84     1.09868   108.57985   -68.85652
   91    85 S   OH   _O39   101     1.42301   107.04781   -52.26801
   92    91 S   HO   _H31   102     0.97013   106.72310   -59.99696
   93    89 S   CT   _C6_    85     1.54174   111.67180    50.28066
   94    93 S   HC   _H12    86     1.09700   110.19528    46.54147
   95    93 S   HC   _H13    87     1.09760   109.00220   -68.77645
   96    89 S   CT   _C4_    97     1.53758   109.19103   175.07542
   97    96 S   HC   _H9_    98     1.08520   109.30563   -62.74417
   98    96 S   HC   _H10    99     1.08545   109.25511   177.28322
   99    96 S   HC   _H11   100     1.08531   109.35256    57.28024
  100    93 S   CT   _C7_    88     1.52989   114.50966   168.79096
  101   100 S   HC   _H14    89     1.09756   109.55021   -80.70681
  102   100 S   HC   _H15    90     1.09483   110.63729    39.44712
  103   100 S   OS   _O33    91     1.43037   108.10245   158.28018
  104   103 S   CM   _C8_    92     1.38259   111.18383   164.32679
  105   104 S   OH   _O41    95     1.38341   117.18907   -84.51572
  106   105 S   HO   _H37    96     0.96258   109.80608  -175.98365
  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   8   5   4   3
  11   6   2   1   1   9   4   7   3   5   3   6   2  10  19   8
  12   6   5  13   6  14  11   6   3   2  17   2  20   6   2   1
   1  14   7   6  10   4   3  10   4   3   7   8   9   4   7   3
   4   2   1   1  13   6   1   1  14   9   3   1  11   6   5   4
   2   1   1   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42   104    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44   103   104    40    41   105  
   38    39    42   104    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    46   104    40    41  
   42    43    44    40  
   41   105   106    42   100   103   104  
  105   103   104  
   43    44    45    46    47  
   44    45    46  
   45    46    47    48    49    59  
   46    47  
   47    48    49    50    51    52    54    59    61    62  
   48    49    50    51    52    53    54    56    60    59    61    66    87    55    69    62    63    64    65  
   49    50    51    52    54    59    61    62  
   50    51    52    53    54    56    60    59    61    87    55    62  
   51    52    53    54    59    55  
   52    53    54    59    55  
   53    54    56    57    58    60    59    61    79    87    88    55    62  
   54    56    60    59    87    55  
   56    57    58    60    59    61    66    87    55    69    62    63    64    65  
   69    56    59    60    61    66    76    79    80    87    88  
   57    58    60    59    61    62  
   58    60    59  
   60    59  
   61    66    67    68    72    79    87    88    69    70    71    75    62    63    64    65    60  
   61    62  
   66    67    68    72    73    74    76    79    80    87    88    69    70    71    75    77    62    63    64    65  
   63    64    65    66    69    87  
   64    65  
   65  
    0  
   67    68    72    73    74    76    79    87    88    81    69    70    71    75  
   68    72    73    74    76    87    69  
   72    73    74    76    87    69  
   70    71    75    77    78    85    72    79    87    88  
   71    75    77    87  
   75    77    87  
   73    74    76    79    80    87    81    82    83    84  
   74    76    79    81  
   76    79    81  
   77    78    85    86    89    91    87  
   79    80    87    88    81    82    83    84  
   78    85    86    89    90    93    96    91    92  
   85    86    89    91  
   80    87    88    81    82    83    84  
   87    88    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86    89    90    93    94    95   100    96    97    98    99    91    92  
   89    90    93    96    91    92  
   88  
    0  
   90    93    94    95   100   101   102   103    96    97    98    99    91    92  
   93    94    95   100    96    97    98    99    91  
   92    93    96  
    0  
   94    95   100   101   102   103   104    96    97    98    99  
   95   100   101   102   103    96  
  100   101   102   103    96  
   97    98    99   100  
   98    99  
   99  
    0  
  101   102   103   104   105  
  102   103   104  
  103   104  
  104   105   106  
  105   106  
  106  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  103   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
  104   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
  105   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
  106   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    44   320.000  1.462
   44    45   570.000  1.229
   44    46   214.000  1.327
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    59   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   275.000  1.510
   52    55   320.000  1.410
   54    56   260.000  1.509
   54    60   335.000  1.432
   54    59   275.000  1.510
   56    57   340.000  1.088
   56    58   340.000  1.088
   56    60   335.000  1.432
   59    61   268.000  1.529
   59    62   268.000  1.529
   61    66   268.000  1.529
   61    87   268.000  1.529
   61    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   317.000  1.510
   76    79   549.000  1.340
   76    81   317.000  1.510
   79    80   340.000  1.080
   79    87   317.000  1.510
   87    88   340.000  1.090
   87    55   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   320.000  1.410
   75    77   214.000  1.327
   77    78   570.000  1.229
   77    85   317.000  1.522
   85    86   340.000  1.090
   85    89   268.000  1.529
   85    91   320.000  1.410
   89    90   340.000  1.090
   89    93   268.000  1.529
   89    96   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   320.000  1.410
  103   104   440.000  1.360
  104    40   549.000  1.340
  104   105   510.000  1.338
   40    41   340.000  1.080
  105   106   553.000  0.945
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   91    92   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40   104    70.00000  124.00000
   33    40    41    35.00000  117.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    65.00000  118.96000
   42    38    39    35.00000  120.00000
   42    44    45    80.00000  123.72100
   42    44    46    90.00000  111.29400
   44    42    43    40.00000  117.72500
   44    46    47    83.00000  116.90000
   46    44    45    83.00000  123.40000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    59    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    52    58.35000  112.70000
   47    59    54    70.00000  112.37300
   47    59    61    58.35000  112.70000
   47    59    62    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    70.00000  112.37300
   49    52    55    50.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    56    60.00000  120.94000
   52    54    60    80.00000  116.47100
   52    54    59    58.35000  112.70000
   52    55    87    60.00000  109.50000
   54    52    53    45.00000  109.38400
   54    56    57    37.50000  117.20000
   54    56    58    37.50000  117.20000
   54    56    60    15.00000   60.43100
   54    60    56    15.00000   59.14900
   54    59    61    70.00000  112.37300
   54    59    62    70.00000  112.37300
   58    56    57    35.00000  114.30000
   60    54    56    15.00000   60.43100
   60    56    57    50.00000  114.27700
   60    56    58    50.00000  114.27700
   59    47    48    37.50000  110.70000
   59    47    49    58.35000  112.70000
   59    54    56    60.00000  120.94000
   59    54    60    80.00000  116.47100
   59    61    66    58.35000  112.70000
   59    61    87    58.35000  112.70000
   59    61    69    58.35000  112.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    72    58.35000  112.70000
   61    87    79    70.00000  112.02700
   61    87    88    37.50000  110.70000
   61    87    55    50.00000  109.50000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    75    50.00000  109.50000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    76    70.00000  112.02700
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    76    79    70.00000  124.00000
   72    76    81    65.00000  117.92700
   74    72    73    33.00000  107.80000
   76    72    73    35.00000  109.50000
   76    72    74    35.00000  109.50000
   76    79    80    35.00000  120.00000
   76    79    87    70.00000  124.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    55    85.00000  110.90400
   87    61    66    58.35000  112.70000
   87    79    80    35.00000  117.00000
   55    52    53    35.00000  109.50000
   55    52    54    50.00000  109.50000
   55    87    88    35.00000  109.50000
   81    76    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   69    61    66    58.35000  112.70000
   69    61    87    58.35000  112.70000
   69    75    77    83.00000  116.90000
   71    69    70    33.00000  107.80000
   75    69    70    35.00000  109.50000
   75    69    71    35.00000  109.50000
   75    77    78    83.00000  123.40000
   75    77    85    81.00000  111.40000
   77    85    86    35.00000  109.50000
   77    85    89    63.00000  111.10000
   77    85    91    90.00000  109.61100
   85    77    78    80.00000  120.40000
   85    89    90    37.50000  110.70000
   85    89    93    58.35000  112.70000
   85    89    96    58.35000  112.70000
   85    91    92    55.00000  108.50000
   89    85    86    37.50000  110.70000
   89    93    94    37.50000  110.70000
   89    93    95    37.50000  110.70000
   89    93   100    58.35000  112.70000
   89    96    97    37.50000  110.70000
   89    96    98    37.50000  110.70000
   89    96    99    37.50000  110.70000
   93    89    90    37.50000  110.70000
   93   100   101    37.50000  110.70000
   93   100   102    37.50000  110.70000
   93   100   103    50.00000  109.50000
   95    93    94    33.00000  107.80000
  100    93    94    37.50000  110.70000
  100    93    95    37.50000  110.70000
  100   103   104    90.00000  111.18400
  102   100   101    33.00000  107.80000
  103   100   101    35.00000  109.50000
  103   100   102    35.00000  109.50000
  103   104    40    80.00000  120.01400
  103   104   105   115.00000  116.36000
  104    40    41    35.00000  120.00000
  104   105   106    70.00000  107.45700
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
  105   104    40    80.00000  121.38400
   96    89    90    37.50000  110.70000
   96    89    93    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   91    85    86    35.00000  109.50000
   91    85    89    50.00000  109.50000
   62    59    61    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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
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   89    93   100   103   0.62750  1.0 1.0
   89    93   100   103  -0.30950 -1.0 2.0
   89    93   100   103   0.27300  1.0 3.0
   90    89    93    94   0.15000  1.0 3.0
   90    89    93    95   0.15000  1.0 3.0
   90    89    93   100   0.15000  1.0 3.0
   90    89    96    97   0.15000  1.0 3.0
   90    89    96    98   0.15000  1.0 3.0
   90    89    96    99   0.15000  1.0 3.0
   93    89    96    97   0.15000  1.0 3.0
   93    89    96    98   0.15000  1.0 3.0
   93    89    96    99   0.15000  1.0 3.0
   93   100   103   104  -0.46850  1.0 1.0
   93   100   103   104   0.09300 -1.0 2.0
   93   100   103   104  -0.12850  1.0 3.0
   94    93   100   101   0.15000  1.0 3.0
   94    93   100   102   0.15000  1.0 3.0
   94    93   100   103   0.23400  1.0 3.0
   95    93   100   101   0.15000  1.0 3.0
   95    93   100   102   0.15000  1.0 3.0
   95    93   100   103   0.23400  1.0 3.0
  100   103   104    40  -2.26850  1.0 1.0
  100   103   104    40   3.39050 -1.0 2.0
  100   103   104   105   2.00000 -1.0 2.0
  101   100   103   104   0.08050  1.0 3.0
  102   100   103   104   0.08050  1.0 3.0
  103   104    40    33   7.00000 -1.0 2.0
  103   104    40    41   7.00000 -1.0 2.0
  103   104   105   106   2.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40   104   105   106  -0.66100  1.0 1.0
   40   104   105   106   1.20850 -1.0 2.0
   40   104   105   106  -0.36000  1.0 3.0
  105   104    40    33   7.00000 -1.0 2.0
  105   104    40    41   7.00000 -1.0 2.0
   96    89    93    94   0.15000  1.0 3.0
   96    89    93    95   0.15000  1.0 3.0
   96    89    93   100   0.56750  1.0 1.0
   96    89    93   100  -0.07550 -1.0 2.0
   96    89    93   100   0.20000  1.0 3.0
   91    85    89    90   0.23400  1.0 3.0
   91    85    89    93   0.86500  1.0 1.0
   91    85    89    93  -0.17500 -1.0 2.0
   91    85    89    93   0.20800  1.0 3.0
   91    85    89    96   0.86500  1.0 1.0
   91    85    89    96  -0.17500 -1.0 2.0
   91    85    89    96   0.20800  1.0 3.0
   62    59    61    66   0.56750  1.0 1.0
   62    59    61    66  -0.07550 -1.0 2.0
   62    59    61    66   0.20000  1.0 3.0
   62    59    61    87   0.56750  1.0 1.0
   62    59    61    87  -0.07550 -1.0 2.0
   62    59    61    87   0.20000  1.0 3.0
   62    59    61    69   0.56750  1.0 1.0
   62    59    61    69  -0.07550 -1.0 2.0
   62    59    61    69   0.20000  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
   33    39    38    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   42    46    44    45  10.50000 -1.0 2.0
   72    81    76    79   1.10000 -1.0 2.0
   87    80    79    76   1.10000 -1.0 2.0
   75    85    77    78  10.50000 -1.0 2.0
  103   105   104    40   1.10000 -1.0 2.0
   33    41    40   104   1.10000 -1.0 2.0
END
