* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    219    359     668
    1     0 S   NP   _N1_     1    28.71728    96.05133   -21.13479
    2     1 S   H    _HN1     2     1.02775    83.36743   -70.32592
    3     1 S   H    _H1_     3     1.02962    84.97924    38.87426
    4     1 S   H    _H2_     4     1.02837    40.83282   162.22389
    5     1 S   CT   _CA1     5     1.50149   151.54026   163.69146
    6     5 S   HC   _HA1     6     1.09553   105.26277    58.20885
    7     5 S   CO3  _C1_     7     1.53894   112.37582   -62.22133
    8     7 S   O2Z  _O11     8     1.26383   114.91493   -39.10423
    9     7 S   O2Z  _O12     9     1.26227   115.04508   140.05890
   10     5 S   CT   _CB1    10     1.53100   107.44929   176.51980
   11    10 S   HC   HB11    11     1.09819   109.72474   -46.28156
   12    10 S   HC   HB12    12     1.09829   110.25059    70.41001
   13    10 S   CT   _CG1    13     1.52998   112.60257  -167.22317
   14    13 S   HC   HG11    14     1.09525   110.57027   -57.78252
   15    13 S   HC   HG12    15     1.09635   110.04351    61.26352
   16    13 S   C    _CD1    16     1.51831   112.15520  -178.52091
   17    16 S   O    _OE1    17     1.22716   123.21720   -10.01510
   18    16 S   N    _N2_    18     1.38538   111.61371   170.51274
   19    18 S   H    _HN2    19     1.01583   118.98226     1.30851
   20    18 S   CT1  _CA2    20     1.46233   123.60324  -178.49897
   21    20 S   HC   _HA2    21     1.09732   109.42339   -12.27347
   22    20 S   C    _C2_    22     1.53458   108.09028  -127.82831
   23    22 S   O    _O2_    23     1.22992   122.36589  -145.49606
   24    20 S   CT   _CB2    32     1.53545   111.27321   109.94571
   25    24 S   HC   HB21    33     1.09377   109.46426    54.23112
   26    24 S   HC   HB22    34     1.09505   109.99233   172.67673
   27    22 S   N    _N3_    24     1.38557   113.31128    41.89145
   28    27 S   H    _HN3    25     1.01520   118.88454    -0.61166
   29    24 S   S    _SG2    35     1.83369   111.27685   -68.58274
   30    27 S   CT   _CA3    26     1.45446   123.48381   175.10219
   31    30 S   HC   HA31    27     1.09519   109.29035    23.39881
   32    30 S   HC   HA32    28     1.09496   107.10638   140.41402
   33    29 S   CT   _C20    36     1.86997   103.24891   156.11598
   34    30 S   CO3  _C3_    29     1.52921   113.09051  -100.11481
   35    34 S   O2Z  _O31    30     1.26405   115.40029   -44.37482
   36    34 S   O2Z  _O32    31     1.26354   114.98814   136.57594
   37    33 S   CM   _C21    37     1.52444   108.00730    36.88182
   38    37 S   HC   _H32    38     1.08895   117.20494  -102.08011
   39    33 S   CT   _C19    55     1.57862   112.55255   152.14460
   40    39 S   HC   _H5_    56     1.10202   103.79416  -177.44120
   41    37 S   CMA  _C22    39     1.35231   124.85128    80.29099
   42    41 S   OM   _O34    40     1.26025   128.65509   176.99183
   43    39 S   CT   _C18    57     1.54848   113.68937    72.12349
   44    43 S   HC   _H30    58     1.09449   110.53229   -69.54228
   45    43 S   HC   _H31    59     1.09662   109.54943   173.71731
   46    41 S   CT   _C23    41     1.54999   116.31572    -8.35419
   47    46 S   HC   _H6_    42     1.10166   103.51404   -69.42100
   48    43 S   CT   _C17    60     1.54183   113.25889    53.98742
   49    48 S   HC   _H28    61     1.09709   108.84283    67.74652
   50    48 S   HC   _H29    62     1.09411   107.91768  -177.71013
   51    46 S   CT   _C28    43     1.55762   117.94134   178.79780
   52    51 S   HC   _H37    44     1.09774   111.53191    43.71282
   53    51 S   HC   _H38    45     1.09858   109.18919   157.05395
   54    48 S   CT   _C16    63     1.54117   112.23284   -54.88139
   55    51 S   CT   _C27    46     1.52307   113.83935   -81.44713
   56    55 S   HC   _H7_    47     1.09536   110.97539    65.74774
   57    54 S   CT   _C12    64     1.57380   115.50741   164.75050
   58    57 S   HC   _H4_    65     1.09839   107.39804   -42.53434
   59    54 S   CT   _C30   100     1.54887   108.46365   -72.85100
   60    59 S   HC   _H43   101     1.09216   112.51471   175.56650
   61    59 S   HC   _H44   102     1.08982   113.41247    52.60168
   62    59 S   HC   _H45   103     1.09472   111.13104   -64.58147
   63    55 S   CT   _C26    48     1.51999   110.57497   -56.34773
   64    63 S   HC   _H35    49     1.09668   110.49777   -66.47500
   65    63 S   HC   _H36    50     1.09722   109.44815   178.14892
   66    57 S   CT   _C13    66     1.55726   102.56802  -155.86418
   67    66 S   HC   _H24    67     1.09615   111.90928  -100.83740
   68    66 S   HC   _H25    68     1.09585   110.19845   139.60344
   69    57 S   CT   _C5_    75     1.55460   120.35926    79.03076
   70    69 S   HC   _H3_    76     1.09637   108.49954    58.13597
   71    55 S   OH   _O33   108     1.42534   109.47729  -175.77214
   72    71 S   HO   _H39   109     0.97263   107.13556   -59.95619
   73    63 S   CT   _C25    51     1.52279   110.89096    56.94208
   74    73 S   HC   _H33    52     1.09848   107.09006    65.72523
   75    73 S   HC   _H34    53     1.09694   108.68601  -179.97202
   76    66 S   CT   _C14    69     1.54165   107.66487    18.93919
   77    76 S   HC   _H26    70     1.09498   110.09994   132.97072
   78    76 S   HC   _H27    71     1.09210   108.57277  -109.05541
   79    69 S   CT   _C4_    77     1.53212   112.67627   -60.46941
   80    79 S   HC   _H8_    78     1.09459   111.68261   -48.14214
   81    79 S   HC   _H9_    79     1.09235   111.26444    72.94360
   82    79 S   HC   _H10    80     1.09557   111.07169  -168.81269
   83    69 S   CT   _C6_    81     1.55241   113.10066   174.39465
   84    83 S   HC   _H11    82     1.09834   108.29040  -176.25284
   85    83 S   HC   _H12    83     1.09658   109.53639   -61.81963
   86    46 S   CT   _C24    54     1.58125   112.78763    45.85185
   87    33 S   CT   _C15    72     1.57899   112.47543   -87.84835
   88    83 S   CT   _C7_    84     1.53374   115.31822    61.62479
   89    88 S   HC   _H13    85     1.09531   110.11614    57.58249
   90    88 S   HC   _H14    86     1.09369   109.57720   -60.57539
   91    87 S   OH   _O35    73     1.46212   106.08798   174.12794
   92    91 S   HO   _H46    74     0.97151   108.65307   -71.07085
   93    88 S   CT   _C8_    87     1.53335   110.95108   178.54357
   94    93 S   HC   _H15    88     1.09757   109.35104    61.89162
   95    93 S   HC   _H16    89     1.09770   108.66673   -54.13639
   96    86 S   CT   _C29   104     1.55055   108.84317  -152.81763
   97    96 S   HC   _H40   105     1.09354   111.57912    66.95867
   98    96 S   HC   _H41   106     1.09356   112.42112   -52.98946
   99    96 S   HC   _H42   107     1.09508   111.75503  -172.28154
  100    93 S   CT   _C9_    90     1.54007   113.47681  -175.21030
  101   100 S   HC   _H17    91     1.09738   108.70687    56.31782
  102   100 S   CT   _C10    92     1.52942   112.49252   -63.53038
  103   102 S   HC   _H18    93     1.09522   111.25787   -55.82284
  104   102 S   HC   _H19    94     1.09546   110.75231  -175.88948
  105   102 S   HC   _H20    95     1.09409   111.38710    64.99961
  106   100 S   CT   _C11    96     1.53075   109.78912   174.01876
  107   106 S   HC   _H21    97     1.09539   111.28452    61.95953
  108   106 S   HC   _H22    98     1.09521   110.83614  -177.78671
  109   106 S   HC   _H23    99     1.09516   110.83609   -58.31810
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  24   2   1   1  14   5  24   9  11   4  13   6   5  16   7  15
   5   4  12   6   5  19  10   6  23  10   8   3   2   1   9   6
   5  11   6   5  14   8   2   1   7   3   2   5   3   2   7   3
   2   1   9   5   4   5   2   9   5   4   1   1  12   5   4   3
   2   1   1   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    39    87    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    86    39    40    43    54    76    87    91  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    73    86    39    40    43    44    45    48    54    57    66    76    77    78    87    91    92    59    96  
   35    36  
   36  
    0  
   38    41    42    46    47    51    86    39    40    43    54    76    87    91  
   41    42    46    39    87  
   40    43    44    45    48    49    50    54    76    87    91    96    97    98    99    41    46    47    51    63    73    74    75    86  
   43    44    45    48    87    96    46    73    86  
   42    46    47    51    52    53    55    73    86    87    96  
   46    47    51    86  
   44    45    48    49    50    54    57    87    59    96    46    73    86  
   45    48    49    50    54    86  
   48    49    50    54    86  
   47    51    52    53    55    56    63    73    74    75    86    96    97    98    99    71  
   51    52    53    55    73    86    96  
   49    50    54    57    58    66    76    87    91    69    59    60    61    62    86  
   50    54    57    87    59  
   54    57    87    59  
   52    53    55    56    63    64    65    73    86    96    71    72  
   53    55    56    63    86    71  
   55    56    63    86    71  
   57    58    66    67    68    76    77    78    87    91    92    69    70    79    83    59    60    61    62  
   56    63    64    65    73    74    75    86    71    72  
   63    64    65    73    71    72  
   58    66    67    68    76    77    78    87    91    69    70    79    80    81    82    83    84    85    88    59    60    61    62  
   66    67    68    76    87    69    70    79    83    59  
   60    61    62    66    69    76    87    91  
   61    62    87  
   62    87  
   87  
   64    65    73    74    75    86    96    71    72  
   65    73    74    75    86    71  
   73    74    75    86    71  
   67    68    76    77    78    87    91    69    70    79    83  
   68    76    77    78    87    69  
   76    77    78    87    69  
   70    79    80    81    82    83    84    85    88    89    90    93    76    87  
   79    80    81    82    83    84    85    88  
   72    73  
    0  
   74    75    86    96    97    98    99  
   75    86    96  
   86    96  
   77    78    87    91    92  
   78    87    91  
   87    91  
   80    81    82    83    84    85    88  
   81    82    83  
   82    83  
   83  
   84    85    88    89    90    93    94    95   100  
   85    88    89    90    93  
   88    89    90    93  
   87    96    97    98    99  
   91    92  
   89    90    93    94    95   100   101   102   106  
   90    93    94    95   100  
   93    94    95   100  
   92  
    0  
   94    95   100   101   102   103   104   105   106   107   108   109  
   95   100   101   102   106  
  100   101   102   106  
   97    98    99  
   98    99  
   99  
    0  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   106   107   108   109  
  103   104   105   106   107   108   109  
  104   105   106  
  105   106  
  106  
  107   108   109  
  108   109  
  109  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5000   0.0660  -0.120000   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   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    87   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    86   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    71   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    86   268.000  1.529
   86    39   268.000  1.529
   86    96   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    57   268.000  1.529
   54    87   268.000  1.529
   54    59   268.000  1.529
   57    58   340.000  1.090
   57    66   268.000  1.529
   57    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    87   268.000  1.529
   87    91   320.000  1.410
   91    92   553.000  0.945
   69    70   340.000  1.090
   69    79   268.000  1.529
   69    83   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    93   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   268.000  1.529
  100   106   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   71    72   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    87    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    39    86    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    87    54    58.35000  112.70000
   33    87    76    58.35000  112.70000
   33    87    91    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    46    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    46    47    45.00000  110.52000
   41    46    51    70.00000  112.02700
   41    46    86    70.00000  112.02700
   46    41    42    85.00000  112.85300
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    55    58.35000  112.70000
   46    86    73    58.35000  112.70000
   46    86    39    58.35000  112.70000
   46    86    96    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    63    58.35000  112.70000
   51    55    71    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    73    58.35000  112.70000
   55    71    72    55.00000  108.50000
   63    55    56    37.50000  110.70000
   63    73    74    37.50000  110.70000
   63    73    75    37.50000  110.70000
   63    73    86    58.35000  112.70000
   65    63    64    33.00000  107.80000
   73    63    64    37.50000  110.70000
   73    63    65    37.50000  110.70000
   73    86    39    58.35000  112.70000
   73    86    96    58.35000  112.70000
   75    73    74    33.00000  107.80000
   86    46    47    37.50000  110.70000
   86    46    51    58.35000  112.70000
   86    73    74    37.50000  110.70000
   86    73    75    37.50000  110.70000
   86    39    40    37.50000  110.70000
   86    39    43    58.35000  112.70000
   86    96    97    37.50000  110.70000
   86    96    98    37.50000  110.70000
   86    96    99    37.50000  110.70000
   39    33    37    70.00000  112.02700
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    54    57    58.35000  112.70000
   48    54    87    58.35000  112.70000
   48    54    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    66    58.35000  112.70000
   54    57    69    58.35000  112.70000
   54    87    76    58.35000  112.70000
   54    87    91    50.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    76    58.35000  112.70000
   57    69    70    37.50000  110.70000
   57    69    79    58.35000  112.70000
   57    69    83    58.35000  112.70000
   66    57    58    37.50000  110.70000
   66    76    77    37.50000  110.70000
   66    76    78    37.50000  110.70000
   66    76    87    58.35000  112.70000
   68    66    67    33.00000  107.80000
   76    66    67    37.50000  110.70000
   76    66    68    37.50000  110.70000
   76    87    91    50.00000  109.50000
   78    76    77    33.00000  107.80000
   87    33    37    70.00000  112.02700
   87    33    39    58.35000  112.70000
   87    54    57    58.35000  112.70000
   87    76    77    37.50000  110.70000
   87    76    78    37.50000  110.70000
   87    91    92    55.00000  108.50000
   69    57    58    37.50000  110.70000
   69    57    66    58.35000  112.70000
   69    79    80    37.50000  110.70000
   69    79    81    37.50000  110.70000
   69    79    82    37.50000  110.70000
   69    83    84    37.50000  110.70000
   69    83    85    37.50000  110.70000
   69    83    88    58.35000  112.70000
   79    69    70    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    69    70    37.50000  110.70000
   83    69    79    58.35000  112.70000
   83    88    89    37.50000  110.70000
   83    88    90    37.50000  110.70000
   83    88    93    58.35000  112.70000
   85    83    84    33.00000  107.80000
   88    83    84    37.50000  110.70000
   88    83    85    37.50000  110.70000
   88    93    94    37.50000  110.70000
   88    93    95    37.50000  110.70000
   88    93   100    58.35000  112.70000
   90    88    89    33.00000  107.80000
   93    88    89    37.50000  110.70000
   93    88    90    37.50000  110.70000
   93   100   101    37.50000  110.70000
   93   100   102    58.35000  112.70000
   93   100   106    58.35000  112.70000
   95    93    94    33.00000  107.80000
  100    93    94    37.50000  110.70000
  100    93    95    37.50000  110.70000
  100   102   103    37.50000  110.70000
  100   102   104    37.50000  110.70000
  100   102   105    37.50000  110.70000
  100   106   107    37.50000  110.70000
  100   106   108    37.50000  110.70000
  100   106   109    37.50000  110.70000
  102   100   101    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   100   101    37.50000  110.70000
  106   100   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   59    54    57    58.35000  112.70000
   59    54    87    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   96    86    39    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
   71    55    56    35.00000  109.50000
   71    55    63    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
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   66    76    87    33  -0.07550 -1.0 2.0
   66    76    87    33   0.20000  1.0 3.0
   66    76   -87    54   0.56750  1.0 1.0
   66    76   -87    54  -0.07550 -1.0 2.0
   66    76   -87    54   0.20000  1.0 3.0
   66    76    87    91   0.86500  1.0 1.0
   66    76    87    91  -0.17500 -1.0 2.0
   66    76    87    91   0.20800  1.0 3.0
   67    66    76    77   0.15000  1.0 3.0
   67    66    76    78   0.15000  1.0 3.0
   67    66    76    87   0.15000  1.0 3.0
   68    66    76    77   0.15000  1.0 3.0
   68    66    76    78   0.15000  1.0 3.0
   68    66    76    87   0.15000  1.0 3.0
   76    87    91    92  -0.11600  1.0 1.0
   76    87    91    92  -0.09450 -1.0 2.0
   76    87    91    92   0.21250  1.0 3.0
   77    76    87    33   0.15000  1.0 3.0
   77    76    87    54   0.15000  1.0 3.0
   77    76    87    91   0.23400  1.0 3.0
   78    76    87    33   0.15000  1.0 3.0
   78    76    87    54   0.15000  1.0 3.0
   78    76    87    91   0.23400  1.0 3.0
   87    33    37    38   0.00000  1.0 1.0
   87    33    37    41   0.09850  1.0 1.0
   87    33    37    41   0.15250 -1.0 2.0
   87    33    37    41  -0.50650  1.0 3.0
   87    33    39    86   0.56750  1.0 1.0
   87    33    39    86  -0.07550 -1.0 2.0
   87    33    39    86   0.20000  1.0 3.0
   87    33    39    40   0.15000  1.0 3.0
   87    33   -39    43   0.56750  1.0 1.0
   87    33   -39    43  -0.07550 -1.0 2.0
   87    33   -39    43   0.20000  1.0 3.0
   87    54    57    58   0.15000  1.0 3.0
   87    54   -57    66   0.56750  1.0 1.0
   87    54   -57    66  -0.07550 -1.0 2.0
   87    54   -57    66   0.20000  1.0 3.0
   87    54    57    69   0.56750  1.0 1.0
   87    54    57    69  -0.07550 -1.0 2.0
   87    54    57    69   0.20000  1.0 3.0
   87    54    59    60   0.15000  1.0 3.0
   87    54    59    61   0.15000  1.0 3.0
   87    54    59    62   0.15000  1.0 3.0
   69    57    66    67   0.15000  1.0 3.0
   69    57    66    68   0.15000  1.0 3.0
   69    57    66    76   0.56750  1.0 1.0
   69    57    66    76  -0.07550 -1.0 2.0
   69    57    66    76   0.20000  1.0 3.0
   69    83    88    89   0.15000  1.0 3.0
   69    83    88    90   0.15000  1.0 3.0
   69    83    88    93   0.56750  1.0 1.0
   69    83    88    93  -0.07550 -1.0 2.0
   69    83    88    93   0.20000  1.0 3.0
   70    69    79    80   0.15000  1.0 3.0
   70    69    79    81   0.15000  1.0 3.0
   70    69    79    82   0.15000  1.0 3.0
   70    69    83    84   0.15000  1.0 3.0
   70    69    83    85   0.15000  1.0 3.0
   70    69    83    88   0.15000  1.0 3.0
   79    69    83    84   0.15000  1.0 3.0
   79    69    83    85   0.15000  1.0 3.0
   79    69    83    88   0.56750  1.0 1.0
   79    69    83    88  -0.07550 -1.0 2.0
   79    69    83    88   0.20000  1.0 3.0
   83    69    79    80   0.15000  1.0 3.0
   83    69    79    81   0.15000  1.0 3.0
   83    69    79    82   0.15000  1.0 3.0
   83    88    93    94   0.15000  1.0 3.0
   83    88    93    95   0.15000  1.0 3.0
   83    88    93   100   0.56750  1.0 1.0
   83    88    93   100  -0.07550 -1.0 2.0
   83    88    93   100   0.20000  1.0 3.0
   84    83    88    89   0.15000  1.0 3.0
   84    83    88    90   0.15000  1.0 3.0
   84    83    88    93   0.15000  1.0 3.0
   85    83    88    89   0.15000  1.0 3.0
   85    83    88    90   0.15000  1.0 3.0
   85    83    88    93   0.15000  1.0 3.0
   88    93   100   101   0.15000  1.0 3.0
   88    93   100   102   0.56750  1.0 1.0
   88    93   100   102  -0.07550 -1.0 2.0
   88    93   100   102   0.20000  1.0 3.0
   88    93   100   106   0.56750  1.0 1.0
   88    93   100   106  -0.07550 -1.0 2.0
   88    93   100   106   0.20000  1.0 3.0
   89    88    93    94   0.15000  1.0 3.0
   89    88    93    95   0.15000  1.0 3.0
   89    88    93   100   0.15000  1.0 3.0
   90    88    93    94   0.15000  1.0 3.0
   90    88    93    95   0.15000  1.0 3.0
   90    88    93   100   0.15000  1.0 3.0
   93   100   102   103   0.15000  1.0 3.0
   93   100   102   104   0.15000  1.0 3.0
   93   100   102   105   0.15000  1.0 3.0
   93   100   106   107   0.15000  1.0 3.0
   93   100   106   108   0.15000  1.0 3.0
   93   100   106   109   0.15000  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   106   0.15000  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   106   0.15000  1.0 3.0
  101   100   102   103   0.15000  1.0 3.0
  101   100   102   104   0.15000  1.0 3.0
  101   100   102   105   0.15000  1.0 3.0
  101   100   106   107   0.15000  1.0 3.0
  101   100   106   108   0.15000  1.0 3.0
  101   100   106   109   0.15000  1.0 3.0
  102   100   106   107   0.15000  1.0 3.0
  102   100   106   108   0.15000  1.0 3.0
  102   100   106   109   0.15000  1.0 3.0
  106   100   102   103   0.15000  1.0 3.0
  106   100   102   104   0.15000  1.0 3.0
  106   100   102   105   0.15000  1.0 3.0
   59    54    57    58   0.15000  1.0 3.0
   59    54    57    66   0.56750  1.0 1.0
   59    54    57    66  -0.07550 -1.0 2.0
   59    54    57    66   0.20000  1.0 3.0
   59    54    57    69   0.56750  1.0 1.0
   59    54    57    69  -0.07550 -1.0 2.0
   59    54    57    69   0.20000  1.0 3.0
   59    54    87    33   0.56750  1.0 1.0
   59    54    87    33  -0.07550 -1.0 2.0
   59    54    87    33   0.20000  1.0 3.0
   59    54    87    76   0.56750  1.0 1.0
   59    54    87    76  -0.07550 -1.0 2.0
   59    54    87    76   0.20000  1.0 3.0
   59    54    87    91   0.86500  1.0 1.0
   59    54    87    91  -0.17500 -1.0 2.0
   59    54    87    91   0.20800  1.0 3.0
   96    86    39    33   0.56750  1.0 1.0
   96    86    39    33  -0.07550 -1.0 2.0
   96    86    39    33   0.20000  1.0 3.0
   96    86    39    40   0.15000  1.0 3.0
   96    86    39    43   0.56750  1.0 1.0
   96    86    39    43  -0.07550 -1.0 2.0
   96    86    39    43   0.20000  1.0 3.0
   71    55    63    64   0.23400  1.0 3.0
   71    55    63    65   0.23400  1.0 3.0
   71    55    63    73   0.86500  1.0 1.0
   71    55    63    73  -0.17500 -1.0 2.0
   71    55    63    73   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
END
