* LIGAND DATABASE FILE (OPLS2005)
*
001     108   112    198    322     595
    1     0 S   NP   _N1_     1    29.45931    92.48928   -24.53969
    2     1 S   H    _HN1     2     1.02987    93.02554    31.89083
    3     1 S   H    _H1_     3     1.02801    14.29278  -157.63112
    4     1 S   H    _H2_     4     1.02837   111.55060   -78.67549
    5     1 S   CT   _CA1     5     1.50238   119.71269   147.20206
    6     5 S   HC   _HA1     6     1.09577   105.30883    69.12181
    7     5 S   CO3  _C1_     7     1.53729   112.39430   -51.03329
    8     7 S   O2Z  _O11     8     1.26349   115.01632   -42.60797
    9     7 S   O2Z  _O12     9     1.26253   114.91822   136.54157
   10     5 S   CT   _CB1    10     1.52903   107.04412  -173.33644
   11    10 S   HC   HB11    11     1.09703   108.69016   -54.57191
   12    10 S   HC   HB12    12     1.09834   110.35978    61.69849
   13    10 S   CT   _CG1    13     1.52948   113.58102  -175.53665
   14    13 S   HC   HG11    14     1.09564   110.29056   -62.88616
   15    13 S   HC   HG12    15     1.09588   110.46204    56.65594
   16    13 S   C    _CD1    16     1.51727   111.27368   176.41750
   17    16 S   O    _OE1    17     1.22760   123.04494   -19.85920
   18    16 S   N    _N2_    18     1.38486   112.38585   161.23684
   19    18 S   H    _HN2    19     1.01568   119.41551     4.06602
   20    18 S   CT1  _CA2    20     1.45948   122.62804  -175.91112
   21    20 S   HC   _HA2    21     1.09420   108.71168     1.17437
   22    20 S   C    _C2_    22     1.53152   109.87147  -113.52927
   23    22 S   O    _O2_    23     1.23018   122.11312  -145.87738
   24    20 S   CT   _CB2    32     1.53125   111.51355   122.53115
   25    24 S   HC   HB21    33     1.09653   109.62371    59.57698
   26    24 S   HC   HB22    34     1.09513   111.30276   176.94508
   27    22 S   N    _N3_    24     1.38476   113.37897    42.52217
   28    27 S   H    _HN3    25     1.01499   119.08369    -3.67115
   29    24 S   S    _SG2    35     1.83019   113.89412   -59.84296
   30    27 S   CT   _CA3    26     1.45278   123.11832   171.45204
   31    30 S   HC   HA31    27     1.09521   109.71304    26.74528
   32    30 S   HC   HA32    28     1.09501   107.34319   143.87590
   33    29 S   CT   _C12    36     1.85052   100.56798   -66.81681
   34    33 S   HC   _H6_    37     1.09512   107.84522    64.67033
   35    30 S   CO3  _C3_    29     1.52687   111.51518   -95.83903
   36    35 S   O2Z  _O31    30     1.26416   114.94719   -80.46001
   37    35 S   O2Z  _O32    31     1.26312   115.44419    98.98320
   38    33 S   CT   _C11    38     1.54441   109.05683  -175.81250
   39    38 S   HC   _H5_    39     1.09806   108.91661    47.84714
   40    33 S   OS   _O35    55     1.42717   108.46744   -53.46977
   41    38 S   CO4  _C10    40     1.52828   112.56678   -72.52154
   42    41 S   O    _O34    41     1.22556   124.48824     8.43641
   43    41 S   OS   _O33    42     1.36380   114.29138  -171.21217
   44    43 S   CT   _C9_    43     1.43657   118.75177    -6.37237
   45    44 S   HC   _H18    44     1.09627   108.51316   -70.05619
   46    44 S   HC   _H19    45     1.09485   107.86447   174.30963
   47    44 S   CT   _C8_    46     1.52192   111.62752    53.24214
   48    47 S   HC   _H16    47     1.09786   108.97395    80.77876
   49    47 S   HC   _H17    48     1.09408   108.89862  -164.24730
   50    38 S   CT   _C7_    49     1.53993   110.87701   168.51959
   51    50 S   HC   _H4_    50     1.09974   106.71893    67.88665
   52    50 S   CT   _C6_    51     1.54193   112.69470   -48.13208
   53    52 S   HC   _H3_    52     1.09922   107.27868   168.81780
   54    52 S   CO   _C13    53     1.54138   109.25523    51.78606
   55    54 S   HC   _H7_    54     1.09682   108.30928  -172.68418
   56    52 S   CM   _C5_   104     1.51438   113.36958   -70.76933
   57    56 S   HC   _H15   105     1.08751   117.93533    59.46837
   58    54 S   OS   _O36    56     1.43431   108.97187    69.95467
   59    56 S   CM   _C4_   106     1.33849   123.84608  -121.26783
   60    59 S   HC   _H13   107     1.08479   120.46928  -179.63203
   61    59 S   HC   _H14   108     1.08451   121.64129     0.38816
   62    58 S   CO   _C14    57     1.43606   113.34017   172.09274
   63    62 S   HC   _H8_    58     1.09510   108.12337    60.51644
   64    62 S   CT   _C15    59     1.53594   107.41570   179.61437
   65    64 S   HC   _H9_    60     1.09843   108.94721    54.74817
   66    64 S   CT   _C16    61     1.53553   110.63572   176.28712
   67    66 S   HC   _H10    62     1.09549   109.83116    74.00597
   68    64 S   OS   _O41    77     1.44763   108.12504   -64.00003
   69    66 S   CT   _C17    63     1.53194   111.52857   -48.85213
   70    69 S   HC   _H11    64     1.09724   108.79707   -71.25389
   71    66 S   OH   _O40    75     1.42854   110.27886  -169.85887
   72    71 S   HO   _H24    76     0.97221   108.37048    54.67911
   73    68 S   CO4  _C20    78     1.35652   116.97513   149.90735
   74    73 S   O    _O42    79     1.21860   128.47242    -1.10818
   75    69 S   CT   _C18    65     1.53061   110.73135    49.60411
   76    75 S   HC   _H12    66     1.09848   111.09219    63.89903
   77    69 S   OH   _O39    73     1.42492   110.09659   172.05890
   78    77 S   HO   _H23    74     0.97682   108.42126   -55.92081
   79    73 S   CA   _C21    80     1.47354   107.99823   178.77699
   80    62 S   OS   _O37    67     1.42858   111.55527   -60.42103
   81    75 S   CT   _C19    68     1.52919   111.61192  -175.16280
   82    81 S   HC   _H20    69     1.09498   111.02510    68.13089
   83    81 S   HC   _H21    70     1.09402   111.49450   -54.24069
   84    79 S   CA   _C22    81     1.41150   119.66738  -117.39354
   85    81 S   OH   _O38    71     1.42516   109.09837  -173.25192
   86    85 S   HO   _H22    72     0.97227   106.99497   179.86294
   87    84 S   CA   _C23    82     1.40763   118.03800  -176.20006
   88    87 S   HA   _H25    83     1.08846   119.66174  -179.57756
   89    84 S   CA   _C27    92     1.47145   122.99855     4.37117
   90    87 S   CA   _C24    84     1.39564   120.72400    -0.04423
   91    89 S   CA   _C28    93     1.40567   120.50819  -109.92898
   92    91 S   HA   _H29    94     1.08807   120.32980     0.76028
   93    90 S   CA   _C25    85     1.38976   120.89025    -0.14537
   94    93 S   HA   _H26    86     1.08652   120.41692  -179.71469
   95    90 S   OH   _O44    90     1.36768   120.76320  -179.68041
   96    95 S   HO   _H28    91     0.97296   108.24440    -6.84149
   97    91 S   CA   _C29    95     1.39673   120.85363  -179.61999
   98    97 S   HA   _H30    96     1.08619   119.94180  -179.78511
   99    79 S   CA   _C26    87     1.40362   119.64438    66.22070
  100    97 S   CA   _C30    97     1.39221   120.06017     0.12820
  101   100 S   HA   _H31    98     1.08605   119.98758  -179.90935
  102    99 S   OH   _O43    88     1.36780   122.95558    -3.08680
  103   102 S   HO   _H27    89     0.97215   109.40111   -10.28815
  104   100 S   CA   _C31    99     1.39125   119.51812    -0.00000
  105    89 S   CA   _C32   100     1.40490   120.93744    70.73649
  106   105 S   HA   _H32   101     1.08786   120.06036    -0.43205
  107   104 S   OH   _O45   102     1.36636   117.87633  -179.93439
  108   107 S   HO   _H33   103     0.97744   109.15510   177.55271
  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
  14   6   2   1   1  15   8   9   9   3   7   8   5   4   8   4
   3   9   4  10   6   9   3   5   3   8   2   1   1  13   6  14
   7  13   7   8  12   7   3   1   8   3   9   6   3   1  12   4
   4   3   2  14   1   1  10   4  11   6   8   4   6   3   2   1
   6   3   2   6   3   1   1   4   3   1   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    41    50    54    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    47    50    51    52    54    55    40    58  
   38    39    41    50    54    40  
   36    37  
   37  
    0  
   39    41    42    43    44    47    48    49    50    51    52    53    54    40    56  
   41    42    43    47    50    51    52    40  
   58    62    56    41    50    52    53    54    55  
   42    43    44    45    46    47    50    51    52  
   43    44    50  
   44    45    46    47    48    49    50  
   45    46    47    48    49    50    51    52  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    53    54    56  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    58    56    57    59  
   52    53    54    56  
   53    54    55    58    62    56    57    59    60    61  
   54    55    58    56    57    59  
   55    58    62    63    64    80    56    57    59  
   58    62    56  
   57    59    60    61    58  
   59    60    61  
   62    63    64    65    66    75    80    68  
   60    61  
   61  
    0  
   63    64    65    66    67    69    75    76    80    81    71    68    73  
   64    65    66    75    80    68  
   65    66    67    69    70    75    80    77    71    72    68    73    74    79  
   66    67    69    80    71    68    73  
   67    69    70    75    76    80    81    77    78    71    72    68    73  
   69    70    75    77    71    72    68  
   73    74    79    84    99    69    71    80  
   70    75    76    80    81    82    83    85    77    78    71    72  
   75    76    80    81    77    78    71  
   72    75    77  
    0  
   74    79    84    87    93    99   102    89  
   79    84    99  
   76    80    81    82    83    85    86    77    78  
   80    81    82    83    85    77  
   78    80    81  
    0  
   84    87    88    90    93    94    99   102   103    89    91   105  
   81    82    83    85  
   82    83    85    86  
   83    85    86  
   85    86  
   87    88    90    93    99   102    95    89    91    92    97   104   105   106  
   86  
    0  
   88    90    93    94    99    95    96    89    91   105  
   90    93    95    89  
   91    92    97    98   100   104   105   106   107    90    99  
   93    94    99   102    95    96  
   92    97    98   100   101   104   105   106  
   97    98   100   105  
   94    99   102   103    95    96  
   99   102    95  
   96    99  
    0  
   98   100   101   104   105   107  
  100   101   104  
  102   103  
  101   104   105   106   107   108  
  104   105   107  
  103  
    0  
  105   106   107   108  
  106   107   108  
  107  
  108  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.145000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   90   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   95   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   99   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  100   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  101   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  102   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
  104   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  105   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  106   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  107   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  108   0.5000   0.0300   0.435000   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   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    50   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   52    53   340.000  1.090
   52    54   250.000  1.527
   52    56   317.000  1.510
   54    55   340.000  1.090
   54    40   320.000  1.380
   54    58   320.000  1.380
   58    62   320.000  1.380
   62    63   340.000  1.090
   62    64   250.000  1.527
   62    80   320.000  1.380
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   320.000  1.410
   66    67   340.000  1.090
   66    69   268.000  1.529
   66    71   320.000  1.410
   69    70   340.000  1.090
   69    75   268.000  1.529
   69    77   320.000  1.410
   75    76   340.000  1.090
   75    80   320.000  1.410
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    85   320.000  1.410
   85    86   553.000  0.945
   77    78   553.000  0.945
   71    72   553.000  0.945
   68    73   214.000  1.327
   73    74   570.000  1.229
   73    79   310.000  1.470
   79    84   469.000  1.400
   79    99   469.000  1.400
   84    87   469.000  1.400
   84    89   375.000  1.464
   87    88   367.000  1.080
   87    90   469.000  1.400
   90    93   469.000  1.400
   90    95   450.000  1.364
   93    94   367.000  1.080
   93    99   469.000  1.400
   99   102   450.000  1.364
  102   103   553.000  0.945
   95    96   553.000  0.945
   89    91   469.000  1.400
   89   105   469.000  1.400
   91    92   367.000  1.080
   91    97   469.000  1.400
   97    98   367.000  1.080
   97   100   469.000  1.400
  100   101   367.000  1.080
  100   104   469.000  1.400
  104   105   469.000  1.400
  104   107   450.000  1.364
  105   106   367.000  1.080
  107   108   553.000  0.945
   56    57   340.000  1.080
   56    59   549.000  1.340
   59    60   340.000  1.080
   59    61   340.000  1.080
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    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    50    58.35000  112.70000
   33    40    54    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    81.00000  111.40000
   38    50    47    58.35000  112.70000
   38    50    51    37.50000  110.70000
   38    50    52    58.35000  112.70000
   41    38    39    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    38    39    37.50000  110.70000
   50    38    41    63.00000  111.10000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    54    75.00000  109.43000
   50    52    56    70.00000  112.02700
   52    50    51    37.50000  110.70000
   52    54    55    45.00000  112.01100
   52    54    40    90.00000  108.56700
   52    54    58    90.00000  108.56700
   52    56    57    35.00000  117.00000
   52    56    59    70.00000  124.00000
   54    52    53    45.00000  108.72000
   54    58    62   100.00000  109.58800
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    54    55    35.00000  109.50000
   58    54    55    35.00000  109.50000
   58    54    40    92.60000  111.55000
   58    62    63    35.00000  109.50000
   58    62    64    90.00000  108.56700
   58    62    80    92.60000  111.55000
   62    64    65    45.00000  108.72000
   62    64    66    75.00000  109.43000
   62    64    68    90.00000  109.38000
   62    80    75    60.00000  109.50000
   64    62    63    45.00000  112.01100
   64    66    67    37.50000  110.70000
   64    66    69    58.35000  112.70000
   64    66    71    50.00000  109.50000
   64    68    73    83.00000  116.90000
   66    64    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    75    58.35000  112.70000
   66    69    77    50.00000  109.50000
   66    71    72    55.00000  108.50000
   69    66    67    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    80    50.00000  109.50000
   69    75    81    58.35000  112.70000
   69    77    78    55.00000  108.50000
   75    69    70    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    85    50.00000  109.50000
   80    62    63    35.00000  109.50000
   80    62    64    90.00000  108.56700
   80    75    76    35.00000  109.50000
   81    75    76    37.50000  110.70000
   81    75    80    50.00000  109.50000
   81    85    86    55.00000  108.50000
   83    81    82    33.00000  107.80000
   85    81    82    35.00000  109.50000
   85    81    83    35.00000  109.50000
   77    69    70    35.00000  109.50000
   77    69    75    50.00000  109.50000
   71    66    67    35.00000  109.50000
   71    66    69    50.00000  109.50000
   68    64    65    35.00000  109.50000
   68    64    66    50.00000  109.50000
   68    73    74    83.00000  123.40000
   68    73    79    81.00000  111.40000
   73    79    84    60.00000  119.52600
   73    79    99    60.00000  119.52600
   79    73    74    75.00000  123.78400
   79    84    87    63.00000  120.00000
   79    84    89    60.00000  122.76000
   79    99    93    63.00000  120.00000
   79    99   102    70.00000  120.00000
   84    87    88    35.00000  120.00000
   84    87    90    63.00000  120.00000
   84    89    91    60.00000  122.76000
   84    89   105    60.00000  122.76000
   87    90    93    63.00000  120.00000
   87    90    95    70.00000  120.00000
   90    87    88    35.00000  120.00000
   90    93    94    35.00000  120.00000
   90    93    99    63.00000  120.00000
   90    95    96    35.00000  113.00000
   93    99   102    70.00000  120.00000
   99    79    84    63.00000  120.00000
   99    93    94    35.00000  120.00000
   99   102   103    35.00000  113.00000
   95    90    93    70.00000  120.00000
   89    84    87    60.00000  122.76000
   89    91    92    35.00000  120.00000
   89    91    97    63.00000  120.00000
   89   105   104    63.00000  120.00000
   89   105   106    35.00000  120.00000
   91    97    98    35.00000  120.00000
   91    97   100    63.00000  120.00000
   97    91    92    35.00000  120.00000
   97   100   101    35.00000  120.00000
   97   100   104    63.00000  120.00000
  100    97    98    35.00000  120.00000
  100   104   105    63.00000  120.00000
  100   104   107    70.00000  120.00000
  104   100   101    35.00000  120.00000
  104   105   106    35.00000  120.00000
  104   107   108    35.00000  113.00000
  105    89    91    63.00000  120.00000
  107   104   105    70.00000  120.00000
   56    52    53    35.00000  109.50000
   56    52    54    70.00000  112.02700
   56    59    60    35.00000  120.00000
   56    59    61    35.00000  120.00000
   59    56    57    35.00000  120.00000
   61    59    60    35.00000  117.00000
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
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   56    52    54    58   0.15300  1.0 3.0
   57    56    59    60   7.00000 -1.0 2.0
   57    56    59    61   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   68    79    73    74  10.50000 -1.0 2.0
   84    99    79    73   4.00000 -1.0 2.0
   87    89    84    79   4.00000 -1.0 2.0
   90    88    87    84   1.10000 -1.0 2.0
   93    95    90    87   4.00000 -1.0 2.0
   99    94    93    90   1.10000 -1.0 2.0
   93   102    99    79   4.00000 -1.0 2.0
   91   105    89    84   4.00000 -1.0 2.0
   97    92    91    89   1.10000 -1.0 2.0
  100    98    97    91   1.10000 -1.0 2.0
  104   101   100    97   1.10000 -1.0 2.0
  105   107   104   100   4.00000 -1.0 2.0
  104   106   105    89   1.10000 -1.0 2.0
   52    57    56    59  15.00000 -1.0 2.0
   60    61    59    56  15.00000 -1.0 2.0
END
