* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    222    363     677
    1     0 S   NP   _N1_     1    28.59137    93.72925   -24.22418
    2     1 S   H    _HN1     2     1.02783   106.14843   -97.16646
    3     1 S   H    _H1_     3     1.02948    90.25699    12.05741
    4     1 S   H    _H2_     4     1.02826    19.04817   164.69458
    5     1 S   CT   _CA1     5     1.50119   126.63310   128.01338
    6     5 S   HC   _HA1     6     1.09574   105.19079    71.32442
    7     5 S   CO3  _C1_     7     1.53780   112.38105   -48.89440
    8     7 S   O2Z  _O11     8     1.26375   115.00272   -44.05474
    9     7 S   O2Z  _O12     9     1.26231   114.93025   134.95739
   10     5 S   CT   _CB1    10     1.53065   107.40242  -170.73433
   11    10 S   HC   HB11    11     1.09835   109.35723   -49.75394
   12    10 S   HC   HB12    12     1.09812   110.46682    66.84237
   13    10 S   CT   _CG1    13     1.52994   112.61631  -170.72146
   14    13 S   HC   HG11    14     1.09588   110.64520   -65.76889
   15    13 S   HC   HG12    15     1.09668   109.79378    53.47735
   16    13 S   C    _CD1    16     1.51808   112.14343   173.91034
   17    16 S   O    _OE1    17     1.22739   123.27191     7.41471
   18    16 S   N    _N2_    18     1.38633   111.71705  -172.73064
   19    18 S   H    _HN2    19     1.01590   118.93292     1.51930
   20    18 S   CT1  _CA2    20     1.46237   123.38108   177.85351
   21    20 S   HC   _HA2    21     1.09736   109.40731     2.43815
   22    20 S   C    _C2_    22     1.53528   108.61621  -113.11252
   23    22 S   O    _O2_    23     1.23061   122.26646  -147.65641
   24    20 S   CT   _CB2    32     1.53463   111.45450   124.48810
   25    24 S   HC   HB21    33     1.09314   109.33061    57.42150
   26    24 S   HC   HB22    34     1.09474   109.80434   176.07095
   27    22 S   N    _N3_    24     1.38325   113.70012    39.77729
   28    27 S   H    _HN3    25     1.01589   119.58585    -3.33900
   29    24 S   S    _SG2    35     1.82980   110.92877   -64.78073
   30    27 S   CT   _CA3    26     1.45284   123.19966   177.12662
   31    30 S   HC   HA31    27     1.09549   107.51926   -64.39311
   32    30 S   HC   HA32    28     1.09558   107.96972    52.03618
   33    29 S   CT   _C23    36     1.88764   103.23236   165.51920
   34    30 S   CO3  _C3_    29     1.52956   114.09776   174.04306
   35    34 S   O2Z  _O31    30     1.26372   116.07903    -0.17359
   36    34 S   O2Z  _O32    31     1.26429   114.40836   179.87805
   37    33 S   CT   _C28    37     1.55162   107.32727   -70.75430
   38    37 S   HC   _H38    38     1.09505   111.82816   170.74532
   39    37 S   HC   _H39    39     1.09454   112.02210    53.00066
   40    33 S   CT   _C22    96     1.54853   108.55518    47.20512
   41    40 S   HC   _H32    97     1.09902   110.18378    48.92097
   42    40 S   HC   _H33    98     1.09779   110.63192   -66.66298
   43    37 S   CO4  _C27    40     1.51192   112.69541   -69.47198
   44    43 S   O    _O33    41     1.23018   121.51110   133.62189
   45    43 S   CT   _C26    42     1.50642   116.58511   -51.52902
   46    45 S   HC   _H36    43     1.09552   108.77518   171.25780
   47    45 S   HC   _H37    44     1.09407   108.77787   -71.81576
   48    45 S   CT   _C25    45     1.52112   110.12080    51.23656
   49    48 S   HC   _H34    46     1.09805   107.82103    68.75072
   50    48 S   HC   _H35    47     1.09521   109.17189  -178.41489
   51    33 S   CT   _C24    48     1.60367   109.89388   168.71558
   52    51 S   CT   _C19    49     1.58082   108.16371  -172.12122
   53    52 S   HC   _H7_    50     1.08968   105.07545   -58.49245
   54    51 S   CT   _C29   107     1.55493   112.65334   -50.93445
   55    54 S   HC   _H40   108     1.09282   112.79667   -50.69546
   56    54 S   HC   _H41   109     1.09492   111.25337  -171.80811
   57    54 S   HC   _H42   110     1.09532   112.02958    69.96509
   58    52 S   CT   _C18    51     1.54191   117.07136  -174.07232
   59    58 S   HC   _H30    52     1.09697   108.96623   -72.93009
   60    58 S   HC   _H31    53     1.09283   111.25276    44.83886
   61    58 S   CT   _C17    54     1.55152   112.37365   166.83479
   62    61 S   HC   _H6_    55     1.09028   106.09644   154.36956
   63    61 S   CT   _C16    56     1.55765   113.94790    31.04806
   64    61 S   OH   _O35   105     1.42871   109.19984   -92.85718
   65    64 S   HO   _H44   106     0.97237   107.74698   -59.23005
   66    63 S   CT   _C15    57     1.54581   109.21637    27.50275
   67    66 S   HC   _H5_    58     1.09963   106.69408    56.42321
   68    63 S   CT   _C30   101     1.56426   111.14292   -96.63204
   69    68 S   HC   _H45   102     1.09685   110.65185   -63.42302
   70    68 S   HC   _H46   103     1.09470   112.45640   178.26765
   71    68 S   HC   _H47   104     1.08928   113.87212    56.94891
   72    66 S   CT   _C14    59     1.52205   104.16613   166.77941
   73    72 S   HC   _H28    60     1.09491   112.04391  -158.46522
   74    72 S   HC   _H29    61     1.09444   112.40655    80.05617
   75    52 S   CT   _C20    92     1.55879   111.86028    58.44484
   76    75 S   HC   _H8_    93     1.09915   108.28443    53.54347
   77    72 S   CT   _C13    62     1.53272   104.08610   -38.48002
   78    77 S   HC   _H26    63     1.09627   109.97151   139.57793
   79    77 S   HC   _H27    64     1.09352   109.69048  -103.68332
   80    75 S   CT   _C21    94     1.53259   110.02655   -60.81594
   81    80 S   HC   _H9_    95     1.09484   110.30028   -68.12446
   82    63 S   CT   _C12    65     1.57823   117.11668   142.37311
   83    82 S   HC   _H4_    66     1.10006   107.20833    98.20622
   84    80 S   OH   _O34    99     1.42738   109.97848   173.41635
   85    84 S   HO   _H43   100     0.97248   107.67747   177.24907
   86    82 S   CT   _C5_    67     1.56223   119.99114   -20.26952
   87    86 S   HC   _H3_    68     1.09761   107.06804    56.23566
   88    86 S   CT   _C4_    69     1.54087   109.55667   170.29461
   89    88 S   HC   _H10    70     1.09450   111.76877    72.97374
   90    88 S   HC   _H11    71     1.09449   111.13884  -166.38970
   91    88 S   HC   _H12    72     1.09536   111.04231   -47.80835
   92    86 S   CT   _C6_    73     1.54666   115.23828   -64.18713
   93    92 S   HC   _H13    74     1.09465   109.92885   -63.36397
   94    92 S   HC   _H14    75     1.09243   110.01841    53.97933
   95    92 S   CT   _C7_    76     1.53479   113.41136   174.30429
   96    95 S   HC   _H15    77     1.09481   110.44850    68.22531
   97    95 S   HC   _H16    78     1.09716   109.11938   -48.55080
   98    95 S   CT   _C8_    79     1.53462   113.24569  -168.67848
   99    98 S   HC   _H17    80     1.09789   108.01906   178.23830
  100    98 S   HC   _H18    81     1.09793   108.35574    63.68354
  101    98 S   CT   _C9_    82     1.54041   115.80383   -58.92011
  102   101 S   HC   _H19    83     1.09648   109.19557    61.39270
  103   101 S   CT   _C10    84     1.52897   112.43984   -58.87710
  104   103 S   HC   _H20    85     1.09522   111.24649   -56.10255
  105   103 S   HC   _H21    86     1.09542   110.75113  -176.15651
  106   103 S   HC   _H22    87     1.09420   111.36693    64.68062
  107   101 S   CT   _C11    88     1.53132   109.68969   178.70699
  108   107 S   HC   _H23    89     1.09538   111.31861    62.16905
  109   107 S   HC   _H24    90     1.09522   110.81284  -177.60094
  110   107 S   HC   _H25    91     1.09518   110.80783   -58.13004
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  24   2   1   1  15   6   5  14   6   5   8   4   8   5   4  11
   4   3  14  20   9   5   2   1   1  13   6   5  16   6  23   4
   1  19   9   9   3   2   1  11   6   5   7   3   8   4   3   3
   2  11   4   1   1  12   8   7   3   2   1   9   5   4   9   5
   4  12   5   4   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    80    40    41    42    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    58    75    80    81    40    41    42    84    54    55    56    57  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    80    40    41    42    54  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    84    85    54    43    48    51    52    66    75    76    80    81  
   42    84    51    75    80    81  
   84    51    75    80    81  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    58    75    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    60    61    66    75    76    80    54    55    56    57  
   53    58    59    60    61    62    63    66    67    72    75    76    80    81    84    64    54    55    56    57  
   58    59    60    61    66    75    76    80    54  
   55    56    57    58    75  
   56    57  
   57  
    0  
   59    60    61    62    63    66    82    75    76    80    68    64    65  
   60    61    62    63    75    64  
   61    62    63    75    64  
   62    63    66    67    72    77    82    83    86    75    68    69    70    71    64    65  
   63    66    82    68    64    65  
   66    67    72    73    74    77    78    79    82    83    86    87    88    92    75    76    80    68    69    70    71    64    65  
   65    66    68    82  
    0  
   67    72    73    74    77    78    79    82    83    86    75    76    80    81    84    68    69    70    71  
   72    73    74    77    82    75    76    80    68  
   69    70    71    72    75    77    82    83    86  
   70    71    82  
   71    82  
   82  
   73    74    77    78    79    82    83    86    75    76    80  
   74    77    78    79    82    75  
   77    78    79    82    75  
   76    80    81    84    85    77    82  
   80    81    84  
   78    79    82    83    86    87    88    92  
   79    82    83    86  
   82    83    86  
   81    84    85  
   84    85  
   83    86    87    88    89    90    91    92    93    94    95  
   86    87    88    92  
   85  
    0  
   87    88    89    90    91    92    93    94    95    96    97    98  
   88    89    90    91    92    93    94    95  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95    96    97    98    99   100   101  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98    99   100   101   102   103   107  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101   102   103   104   105   106   107   108   109   110  
  100   101   102   103   107  
  101   102   103   107  
  102   103   104   105   106   107   108   109   110  
  103   104   105   106   107   108   109   110  
  104   105   106   107   108   109   110  
  105   106   107  
  106   107  
  107  
  108   109   110  
  109   110  
  110  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   268.000  1.529
   51    54   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    75   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    64   320.000  1.410
   63    66   268.000  1.529
   63    82   268.000  1.529
   63    68   268.000  1.529
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    86   268.000  1.529
   86    87   340.000  1.090
   86    88   268.000  1.529
   86    92   268.000  1.529
   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   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   268.000  1.529
  101   107   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   75    76   340.000  1.090
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    40   268.000  1.529
   80    84   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   84    85   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   64    65   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    40    80    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    58.35000  112.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    58    58.35000  112.70000
   51    52    75    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    58.35000  112.70000
   52    75    66    58.35000  112.70000
   52    75    76    37.50000  110.70000
   52    75    80    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    64    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    66    58.35000  112.70000
   61    63    82    58.35000  112.70000
   61    63    68    58.35000  112.70000
   61    64    65    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    72    58.35000  112.70000
   63    66    75    58.35000  112.70000
   63    82    77    58.35000  112.70000
   63    82    83    37.50000  110.70000
   63    82    86    58.35000  112.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    77    58.35000  112.70000
   66    75    76    37.50000  110.70000
   66    75    80    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    82    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    86    58.35000  112.70000
   79    77    78    33.00000  107.80000
   82    63    66    58.35000  112.70000
   82    77    78    37.50000  110.70000
   82    77    79    37.50000  110.70000
   82    86    87    37.50000  110.70000
   82    86    88    58.35000  112.70000
   82    86    92    58.35000  112.70000
   86    82    83    37.50000  110.70000
   86    88    89    37.50000  110.70000
   86    88    90    37.50000  110.70000
   86    88    91    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    58.35000  112.70000
   88    86    87    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    86    87    37.50000  110.70000
   92    86    88    58.35000  112.70000
   92    95    96    37.50000  110.70000
   92    95    97    37.50000  110.70000
   92    95    98    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    37.50000  110.70000
   95    92    94    37.50000  110.70000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
   98   101   102    37.50000  110.70000
   98   101   103    58.35000  112.70000
   98   101   107    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   103   104    37.50000  110.70000
  101   103   105    37.50000  110.70000
  101   103   106    37.50000  110.70000
  101   107   108    37.50000  110.70000
  101   107   109    37.50000  110.70000
  101   107   110    37.50000  110.70000
  103   101   102    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107   101   102    37.50000  110.70000
  107   101   103    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   75    52    53    37.50000  110.70000
   75    52    58    58.35000  112.70000
   75    66    67    37.50000  110.70000
   75    66    72    58.35000  112.70000
   75    80    81    37.50000  110.70000
   75    80    40    58.35000  112.70000
   75    80    84    50.00000  109.50000
   80    75    76    37.50000  110.70000
   80    40    41    37.50000  110.70000
   80    40    42    37.50000  110.70000
   80    84    85    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    80    81    37.50000  110.70000
   42    40    41    33.00000  107.80000
   84    80    81    35.00000  109.50000
   84    80    40    50.00000  109.50000
   68    63    66    58.35000  112.70000
   68    63    82    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    50.00000  109.50000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
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   82    86    92    95   0.20000  1.0 3.0
   83    82    86    87   0.15000  1.0 3.0
   83    82    86    88   0.15000  1.0 3.0
   83    82    86    92   0.15000  1.0 3.0
   86    92    95    96   0.15000  1.0 3.0
   86    92    95    97   0.15000  1.0 3.0
   86    92    95    98   0.56750  1.0 1.0
   86    92    95    98  -0.07550 -1.0 2.0
   86    92    95    98   0.20000  1.0 3.0
   87    86    88    89   0.15000  1.0 3.0
   87    86    88    90   0.15000  1.0 3.0
   87    86    88    91   0.15000  1.0 3.0
   87    86    92    93   0.15000  1.0 3.0
   87    86    92    94   0.15000  1.0 3.0
   87    86    92    95   0.15000  1.0 3.0
   88    86    92    93   0.15000  1.0 3.0
   88    86    92    94   0.15000  1.0 3.0
   88    86    92    95   0.56750  1.0 1.0
   88    86    92    95  -0.07550 -1.0 2.0
   88    86    92    95   0.20000  1.0 3.0
   92    86    88    89   0.15000  1.0 3.0
   92    86    88    90   0.15000  1.0 3.0
   92    86    88    91   0.15000  1.0 3.0
   92    95    98    99   0.15000  1.0 3.0
   92    95    98   100   0.15000  1.0 3.0
   92    95    98   101   0.56750  1.0 1.0
   92    95    98   101  -0.07550 -1.0 2.0
   92    95    98   101   0.20000  1.0 3.0
   93    92    95    96   0.15000  1.0 3.0
   93    92    95    97   0.15000  1.0 3.0
   93    92    95    98   0.15000  1.0 3.0
   94    92    95    96   0.15000  1.0 3.0
   94    92    95    97   0.15000  1.0 3.0
   94    92    95    98   0.15000  1.0 3.0
   95    98   101   102   0.15000  1.0 3.0
   95    98   101   103   0.56750  1.0 1.0
   95    98   101   103  -0.07550 -1.0 2.0
   95    98   101   103   0.20000  1.0 3.0
   95    98   101   107   0.56750  1.0 1.0
   95    98   101   107  -0.07550 -1.0 2.0
   95    98   101   107   0.20000  1.0 3.0
   96    95    98    99   0.15000  1.0 3.0
   96    95    98   100   0.15000  1.0 3.0
   96    95    98   101   0.15000  1.0 3.0
   97    95    98    99   0.15000  1.0 3.0
   97    95    98   100   0.15000  1.0 3.0
   97    95    98   101   0.15000  1.0 3.0
   98   101   103   104   0.15000  1.0 3.0
   98   101   103   105   0.15000  1.0 3.0
   98   101   103   106   0.15000  1.0 3.0
   98   101   107   108   0.15000  1.0 3.0
   98   101   107   109   0.15000  1.0 3.0
   98   101   107   110   0.15000  1.0 3.0
   99    98   101   102   0.15000  1.0 3.0
   99    98   101   103   0.15000  1.0 3.0
   99    98   101   107   0.15000  1.0 3.0
  100    98   101   102   0.15000  1.0 3.0
  100    98   101   103   0.15000  1.0 3.0
  100    98   101   107   0.15000  1.0 3.0
  102   101   103   104   0.15000  1.0 3.0
  102   101   103   105   0.15000  1.0 3.0
  102   101   103   106   0.15000  1.0 3.0
  102   101   107   108   0.15000  1.0 3.0
  102   101   107   109   0.15000  1.0 3.0
  102   101   107   110   0.15000  1.0 3.0
  103   101   107   108   0.15000  1.0 3.0
  103   101   107   109   0.15000  1.0 3.0
  103   101   107   110   0.15000  1.0 3.0
  107   101   103   104   0.15000  1.0 3.0
  107   101   103   105   0.15000  1.0 3.0
  107   101   103   106   0.15000  1.0 3.0
   75    52    58    59   0.15000  1.0 3.0
   75    52    58    60   0.15000  1.0 3.0
   75    52   -58    61   0.56750  1.0 1.0
   75    52   -58    61  -0.07550 -1.0 2.0
   75    52   -58    61   0.20000  1.0 3.0
   75    66    72    73   0.15000  1.0 3.0
   75    66    72    74   0.15000  1.0 3.0
   75    66    72    77   0.56750  1.0 1.0
   75    66    72    77  -0.07550 -1.0 2.0
   75    66    72    77   0.20000  1.0 3.0
   75    80   -40    33   0.56750  1.0 1.0
   75    80   -40    33  -0.07550 -1.0 2.0
   75    80   -40    33   0.20000  1.0 3.0
   75    80    40    41   0.15000  1.0 3.0
   75    80    40    42   0.15000  1.0 3.0
   75    80    84    85  -0.11600  1.0 1.0
   75    80    84    85  -0.09450 -1.0 2.0
   75    80    84    85   0.21250  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    40   0.15000  1.0 3.0
   76    75    80    84   0.23400  1.0 3.0
   81    80    40    33   0.15000  1.0 3.0
   81    80    40    41   0.15000  1.0 3.0
   81    80    40    42   0.15000  1.0 3.0
   81    80    84    85   0.19450  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33   -51    52   0.56750  1.0 1.0
   40    33   -51    52  -0.07550 -1.0 2.0
   40    33   -51    52   0.20000  1.0 3.0
   40    33    51    54   0.56750  1.0 1.0
   40    33    51    54  -0.07550 -1.0 2.0
   40    33    51    54   0.20000  1.0 3.0
   40    80    84    85  -0.11600  1.0 1.0
   40    80    84    85  -0.09450 -1.0 2.0
   40    80    84    85   0.21250  1.0 3.0
   84    80    40    33   0.86500  1.0 1.0
   84    80    40    33  -0.17500 -1.0 2.0
   84    80    40    33   0.20800  1.0 3.0
   84    80    40    41   0.23400  1.0 3.0
   84    80    40    42   0.23400  1.0 3.0
   68    63    66    67   0.15000  1.0 3.0
   68    63    66    72   0.56750  1.0 1.0
   68    63    66    72  -0.07550 -1.0 2.0
   68    63    66    72   0.20000  1.0 3.0
   68    63    66    75   0.56750  1.0 1.0
   68    63    66    75  -0.07550 -1.0 2.0
   68    63    66    75   0.20000  1.0 3.0
   68    63    82    77   0.56750  1.0 1.0
   68    63    82    77  -0.07550 -1.0 2.0
   68    63    82    77   0.20000  1.0 3.0
   68    63    82    83   0.15000  1.0 3.0
   68    63    82    86   0.56750  1.0 1.0
   68    63    82    86  -0.07550 -1.0 2.0
   68    63    82    86   0.20000  1.0 3.0
   64    61    63    66   0.86500  1.0 1.0
   64    61    63    66  -0.17500 -1.0 2.0
   64    61    63    66   0.20800  1.0 3.0
   64    61    63    82   0.86500  1.0 1.0
   64    61    63    82  -0.17500 -1.0 2.0
   64    61    63    82   0.20800  1.0 3.0
   64    61    63    68   0.86500  1.0 1.0
   64    61    63    68  -0.17500 -1.0 2.0
   64    61    63    68   0.20800  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    75   0.56750  1.0 1.0
   54    51    52    75  -0.07550 -1.0 2.0
   54    51    52    75   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
   35    30    34    36  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
END
