* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    224    365     682
    1     0 S   NP   _N1_     1    29.12184    98.28317   -19.51923
    2     1 S   H    _HN1     2     1.02947    65.26370    20.36255
    3     1 S   H    _H1_     3     1.02830    56.42165   154.36947
    4     1 S   H    _H2_     4     1.02788    86.68275   -91.59118
    5     1 S   CT   _CA1     5     1.50112   160.61319   101.65608
    6     5 S   HC   _HA1     6     1.09583   105.15653   104.42246
    7     5 S   CO3  _C1_     7     1.53714   112.38709   -15.65170
    8     7 S   O2Z  _O11     8     1.26363   115.02586   -45.27428
    9     7 S   O2Z  _O12     9     1.26236   114.91694   133.80041
   10     5 S   CT   _CB1    10     1.53085   107.39242  -137.80653
   11    10 S   HC   HB11    11     1.09834   109.16662   -51.05191
   12    10 S   HC   HB12    12     1.09809   110.55050    65.49581
   13    10 S   CT   _CG1    13     1.53001   112.66149  -172.09187
   14    13 S   HC   HG11    14     1.09526   110.50474   -69.11322
   15    13 S   HC   HG12    15     1.09669   109.80009    50.10274
   16    13 S   C    _CD1    16     1.51837   112.15525   170.58856
   17    16 S   O    _OE1    17     1.22739   123.20797    10.61556
   18    16 S   N    _N2_    18     1.38641   111.77585  -169.44611
   19    18 S   H    _HN2    19     1.01583   118.92437     0.65938
   20    18 S   CT1  _CA2    20     1.46323   123.40679   176.01169
   21    20 S   HC   _HA2    21     1.09734   109.42415     1.36473
   22    20 S   C    _C2_    22     1.53529   108.44477  -114.03707
   23    22 S   O    _O2_    23     1.23048   122.31142  -147.79295
   24    20 S   CT   _CB2    32     1.53238   111.43485   123.58709
   25    24 S   HC   HB21    33     1.09454   109.82562    56.25568
   26    24 S   HC   HB22    34     1.09515   110.73414   174.58840
   27    22 S   N    _N3_    24     1.38338   113.63627    39.64185
   28    27 S   H    _HN3    25     1.01588   119.55464    -3.31233
   29    24 S   S    _SG2    35     1.82828   111.09615   -66.53513
   30    27 S   CT   _CA3    26     1.45280   123.26302   177.16939
   31    30 S   HC   HA31    27     1.09547   107.51438   -64.64364
   32    30 S   HC   HA32    28     1.09555   107.98979    51.80777
   33    29 S   CT   _C22    36     1.84722   100.31318   148.39109
   34    33 S   HC   _H8_    37     1.09744   103.66523    40.06458
   35    30 S   CO3  _C3_    29     1.52971   114.04359   173.80198
   36    35 S   O2Z  _O31    30     1.26384   116.06085    -0.60068
   37    35 S   O2Z  _O32    31     1.26425   114.41627   179.46005
   38    33 S   CT   _C21    38     1.53539   110.71002   -76.09366
   39    38 S   HC   _H33    39     1.09737   108.88759   161.25070
   40    38 S   HC   _H34    40     1.09561   110.45478    46.59022
   41    38 S   CT   _C20    41     1.53676   113.61477   -77.22753
   42    41 S   HC   _H7_    42     1.09375   107.57327    65.10714
   43    41 S   CT   _C15    43     1.53583   111.00472  -176.51873
   44    43 S   HC   _H5_    44     1.10318   106.59179    64.07805
   45    41 S   CT   _C19    60     1.56037   111.16960   -55.28863
   46    45 S   HC   _H6_    61     1.09832   105.98889   -60.08053
   47    43 S   CT   _C14    45     1.52197   118.18407   -54.86681
   48    47 S   HC   _H27    46     1.09484   112.06713    78.36782
   49    47 S   HC   _H28    47     1.09521   111.59701   -42.27195
   50    45 S   CT   _C24    62     1.57828   112.08174    56.82136
   51    47 S   CT   _C13    48     1.53324   104.11014  -161.44615
   52    51 S   HC   _H25    49     1.09560   109.24180   129.79706
   53    51 S   HC   _H26    50     1.09574   110.70341  -112.12026
   54    50 S   CT   _C25    63     1.56459   111.88035  -174.08215
   55    54 S   HC   _H35    64     1.09568   110.98393   -56.72234
   56    54 S   HC   _H36    65     1.09935   109.07696  -172.03415
   57    50 S   CT   _C29    78     1.55462   110.31288    70.40998
   58    57 S   HC   _H43    79     1.09063   113.26383   -47.65770
   59    57 S   HC   _H44    80     1.09532   111.75345  -169.74829
   60    57 S   HC   _H45    81     1.09631   111.22386    71.87273
   61    51 S   CT   _C12    51     1.55522   107.17965     8.26824
   62    61 S   HC   _H4_    52     1.09945   107.26538   -91.97915
   63    54 S   CT   _C26    66     1.52284   114.56725    67.05745
   64    63 S   HC   _H37    67     1.09547   110.50850   -65.84793
   65    63 S   HC   _H38    68     1.09625   109.40126   177.23990
   66    43 S   CT   _C16    53     1.54931   113.45053  -176.92394
   67    63 S   CT   _C27    69     1.51835   110.83353    56.61997
   68    67 S   HC   _H39    70     1.09673   109.75730    66.66901
   69    67 S   HC   _H40    71     1.09606   109.62503  -176.54181
   70    61 S   CT   _C5_    86     1.55326   111.98591   150.07356
   71    70 S   HC   _H3_    87     1.09804   108.37169   -62.08026
   72    66 S   CT   _C17    54     1.53798   106.41449   -62.60564
   73    72 S   HC   _H29    55     1.09771   110.00723   -64.31402
   74    72 S   HC   _H30    56     1.09350   111.34348   178.06791
   75    67 S   CT   _C28    72     1.52514   111.25470   -55.18521
   76    75 S   HC   _H41    73     1.09805   107.33934   176.64748
   77    75 S   HC   _H42    74     1.09484   108.33404   -68.69952
   78    66 S   CT   _C30    82     1.54714   113.72490    58.73850
   79    78 S   HC   _H47    83     1.09312   112.13905    62.12693
   80    78 S   HC   _H48    84     1.09297   112.95671   -58.51849
   81    78 S   HC   _H49    85     1.09487   110.97258  -177.95082
   82    70 S   CT   _C4_    88     1.53169   112.75035   179.70261
   83    82 S   HC   _H9_    89     1.09457   111.70313   -47.89005
   84    82 S   HC   _H10    90     1.09267   111.09571    73.22768
   85    82 S   HC   _H11    91     1.09557   111.10596  -168.60769
   86    70 S   CT   _C6_    92     1.55170   113.04178    54.43698
   87    86 S   HC   _H12    93     1.09829   108.32630  -176.18002
   88    86 S   HC   _H13    94     1.09660   109.53633   -61.68491
   89    72 S   CT   _C18    57     1.53950   112.21229    56.72540
   90    89 S   HC   _H31    58     1.09419   108.70664    70.65511
   91    89 S   HC   _H32    59     1.09538   107.21083  -174.81103
   92    33 S   CT   _C23    75     1.56327   113.91411   156.71898
   93    86 S   CT   _C7_    95     1.53380   115.24580    61.71675
   94    93 S   HC   _H14    96     1.09534   110.10803    57.62908
   95    93 S   HC   _H15    97     1.09370   109.56897   -60.51130
   96    92 S   OH   _O33    76     1.43843   109.19037   -45.13945
   97    96 S   HO   _H46    77     0.97231   108.06176   -47.15967
   98    93 S   CT   _C8_    98     1.53336   110.95595   178.58944
   99    98 S   HC   _H16    99     1.09756   109.35093    61.92621
  100    98 S   HC   _H17   100     1.09770   108.66552   -54.10072
  101    98 S   CT   _C9_   101     1.54008   113.48033  -175.17200
  102   101 S   HC   _H18   102     1.09738   108.70668    56.31128
  103   101 S   CT   _C10   103     1.52941   112.49273   -63.53713
  104   103 S   HC   _H19   104     1.09522   111.25791   -55.83462
  105   103 S   HC   _H20   105     1.09546   110.75223  -175.90084
  106   103 S   HC   _H21   106     1.09409   111.38605    64.98790
  107   101 S   CT   _C11   107     1.53076   109.78975   174.01205
  108   107 S   HC   _H22   108     1.09539   111.28457    61.95716
  109   107 S   HC   _H23   109     1.09521   110.83612  -177.78884
  110   107 S   HC   _H24   110     1.09516   110.83611   -58.32060
  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  10   5   4   3
  18   8   2   1   1  15   6   5  20   8  22   9  21   8  11   6
   5  21  11   5   4  16   7   6   8   3   2   1  20   7   9   5
   4  14   7   5   4  14   8   9   5   4   5   3   2   4   2   1
   1   7   3   2   1   9   5   4   3   1   1   2   9   5   4   1
   1  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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    92    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    50    75    92    96  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    50    54    67    75    76    77    92    96    97    57  
   38    39    40    41    50    75    92    96  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    66    89    45    46    50    75    92    96  
   40    41    42    43    45    92  
   41    42    43    45    92  
   42    43    44    47    48    49    51    61    66    72    89    90    91    45    46    50    54    92    57    78  
   43    44    47    66    89    45    46    50  
   44    47    48    49    51    52    53    61    62    66    72    73    74    89    45    46    50    78    79    80    81    70  
   47    48    49    51    61    66    72    45    78  
   46    50    54    55    56    63    75    92    96    57    58    59    60    47    66    72    73    74    89    90    91  
   50    54    92    57    72    89    90    91  
   48    49    51    52    53    61    62    66    72    78    70  
   49    51    52    53    61    66  
   51    52    53    61    66  
   54    55    56    63    64    65    67    75    76    77    92    96    97    57    58    59    60    72    89    90    91  
   52    53    61    62    66    72    78    70    71    82    86  
   53    61    62    66    70  
   61    62    66    70  
   55    56    63    64    65    67    68    69    75    92    96    57    58    59    60    89  
   56    63    64    65    67    92    57  
   63    64    65    67    92    57  
   58    59    60    63    75    89    92    96  
   59    60    92  
   60    92  
   92  
   62    66    72    73    74    89    78    79    80    81    70    71    82    83    84    85    86    87    88    93  
   66    72    78    70    71    82    86  
   64    65    67    68    69    75    76    77    92  
   65    67    68    69    75  
   67    68    69    75  
   72    73    74    89    90    91    78    79    80    81    70    71    82    86  
   68    69    75    76    77    92    96  
   69    75    76    77    92  
   75    76    77    92  
   71    82    83    84    85    86    87    88    93    94    95    98    72    78  
   82    83    84    85    86    87    88    93  
   73    74    89    90    91    78    79    80    81  
   74    89    90    91    78  
   89    90    91    78  
   76    77    92    96    97  
   77    92    96  
   92    96  
   79    80    81    89  
   80    81  
   81  
    0  
   83    84    85    86    87    88    93  
   84    85    86  
   85    86  
   86  
   87    88    93    94    95    98    99   100   101  
   88    93    94    95    98  
   93    94    95    98  
   90    91    92  
   91  
    0  
   96    97  
   94    95    98    99   100   101   102   103   107  
   95    98    99   100   101  
   98    99   100   101  
   97  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   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  -0.120000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5000   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    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    92   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    66   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    61   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    70   268.000  1.529
   66    72   268.000  1.529
   66    78   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    45   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    54   268.000  1.529
   50    92   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    92   268.000  1.529
   92    96   320.000  1.410
   96    97   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   70    71   340.000  1.090
   70    82   268.000  1.529
   70    86   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    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
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    92    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    92    50    58.35000  112.70000
   33    92    75    58.35000  112.70000
   33    92    96    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    66    58.35000  112.70000
   41    45    89    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    50    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    51    58.35000  112.70000
   43    66    61    58.35000  112.70000
   43    66    72    58.35000  112.70000
   43    66    78    58.35000  112.70000
   47    43    44    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    61    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    66    58.35000  112.70000
   51    61    70    58.35000  112.70000
   53    51    52    33.00000  107.80000
   61    51    52    37.50000  110.70000
   61    51    53    37.50000  110.70000
   61    66    72    58.35000  112.70000
   61    66    78    58.35000  112.70000
   61    70    71    37.50000  110.70000
   61    70    82    58.35000  112.70000
   61    70    86    58.35000  112.70000
   66    43    44    37.50000  110.70000
   66    43    47    58.35000  112.70000
   66    61    62    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    89    58.35000  112.70000
   66    78    79    37.50000  110.70000
   66    78    80    37.50000  110.70000
   66    78    81    37.50000  110.70000
   72    89    90    37.50000  110.70000
   72    89    91    37.50000  110.70000
   72    89    45    58.35000  112.70000
   74    72    73    33.00000  107.80000
   89    72    73    37.50000  110.70000
   89    72    74    37.50000  110.70000
   89    45    46    37.50000  110.70000
   89    45    50    58.35000  112.70000
   91    89    90    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    58.35000  112.70000
   45    89    90    37.50000  110.70000
   45    89    91    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    92    58.35000  112.70000
   45    50    57    58.35000  112.70000
   50    45    46    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    58.35000  112.70000
   50    92    75    58.35000  112.70000
   50    92    96    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    67    58.35000  112.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    75    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    92    58.35000  112.70000
   69    67    68    33.00000  107.80000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    92    96    50.00000  109.50000
   77    75    76    33.00000  107.80000
   92    33    34    37.50000  110.70000
   92    33    38    58.35000  112.70000
   92    50    54    58.35000  112.70000
   92    75    76    37.50000  110.70000
   92    75    77    37.50000  110.70000
   92    96    97    55.00000  108.50000
   57    50    54    58.35000  112.70000
   57    50    92    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   78    66    72    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   70    61    62    37.50000  110.70000
   70    61    66    58.35000  112.70000
   70    82    83    37.50000  110.70000
   70    82    84    37.50000  110.70000
   70    82    85    37.50000  110.70000
   70    86    87    37.50000  110.70000
   70    86    88    37.50000  110.70000
   70    86    93    58.35000  112.70000
   82    70    71    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    70    71    37.50000  110.70000
   86    70    82    58.35000  112.70000
   86    93    94    37.50000  110.70000
   86    93    95    37.50000  110.70000
   86    93    98    58.35000  112.70000
   88    86    87    33.00000  107.80000
   93    86    87    37.50000  110.70000
   93    86    88    37.50000  110.70000
   93    98    99    37.50000  110.70000
   93    98   100    37.50000  110.70000
   93    98   101    58.35000  112.70000
   95    93    94    33.00000  107.80000
   98    93    94    37.50000  110.70000
   98    93    95    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
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
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   63    67    75    76   0.15000  1.0 3.0
   63    67    75    77   0.15000  1.0 3.0
   63    67    75    92   0.56750  1.0 1.0
   63    67    75    92  -0.07550 -1.0 2.0
   63    67    75    92   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    75   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    69   0.15000  1.0 3.0
   65    63    67    75   0.15000  1.0 3.0
   67    75    92    33   0.56750  1.0 1.0
   67    75    92    33  -0.07550 -1.0 2.0
   67    75    92    33   0.20000  1.0 3.0
   67    75   -92    50   0.56750  1.0 1.0
   67    75   -92    50  -0.07550 -1.0 2.0
   67    75   -92    50   0.20000  1.0 3.0
   67    75    92    96   0.86500  1.0 1.0
   67    75    92    96  -0.17500 -1.0 2.0
   67    75    92    96   0.20800  1.0 3.0
   68    67    75    76   0.15000  1.0 3.0
   68    67    75    77   0.15000  1.0 3.0
   68    67    75    92   0.15000  1.0 3.0
   69    67    75    76   0.15000  1.0 3.0
   69    67    75    77   0.15000  1.0 3.0
   69    67    75    92   0.15000  1.0 3.0
   75    92    96    97  -0.11600  1.0 1.0
   75    92    96    97  -0.09450 -1.0 2.0
   75    92    96    97   0.21250  1.0 3.0
   76    75    92    33   0.15000  1.0 3.0
   76    75    92    50   0.15000  1.0 3.0
   76    75    92    96   0.23400  1.0 3.0
   77    75    92    33   0.15000  1.0 3.0
   77    75    92    50   0.15000  1.0 3.0
   77    75    92    96   0.23400  1.0 3.0
   92    33    38    39   0.15000  1.0 3.0
   92    33    38    40   0.15000  1.0 3.0
   92    33   -38    41   0.56750  1.0 1.0
   92    33   -38    41  -0.07550 -1.0 2.0
   92    33   -38    41   0.20000  1.0 3.0
   92    50    54    55   0.15000  1.0 3.0
   92    50    54    56   0.15000  1.0 3.0
   92    50   -54    63   0.56750  1.0 1.0
   92    50   -54    63  -0.07550 -1.0 2.0
   92    50   -54    63   0.20000  1.0 3.0
   92    50    57    58   0.15000  1.0 3.0
   92    50    57    59   0.15000  1.0 3.0
   92    50    57    60   0.15000  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    63   0.56750  1.0 1.0
   57    50    54    63  -0.07550 -1.0 2.0
   57    50    54    63   0.20000  1.0 3.0
   57    50    92    33   0.56750  1.0 1.0
   57    50    92    33  -0.07550 -1.0 2.0
   57    50    92    33   0.20000  1.0 3.0
   57    50    92    75   0.56750  1.0 1.0
   57    50    92    75  -0.07550 -1.0 2.0
   57    50    92    75   0.20000  1.0 3.0
   57    50    92    96   0.86500  1.0 1.0
   57    50    92    96  -0.17500 -1.0 2.0
   57    50    92    96   0.20800  1.0 3.0
   78    66    72    73   0.15000  1.0 3.0
   78    66    72    74   0.15000  1.0 3.0
   78    66    72    89   0.56750  1.0 1.0
   78    66    72    89  -0.07550 -1.0 2.0
   78    66    72    89   0.20000  1.0 3.0
   70    61    66    43   0.56750  1.0 1.0
   70    61    66    43  -0.07550 -1.0 2.0
   70    61    66    43   0.20000  1.0 3.0
   70    61    66    72   0.56750  1.0 1.0
   70    61    66    72  -0.07550 -1.0 2.0
   70    61    66    72   0.20000  1.0 3.0
   70    61    66    78   0.56750  1.0 1.0
   70    61    66    78  -0.07550 -1.0 2.0
   70    61    66    78   0.20000  1.0 3.0
   70    86    93    94   0.15000  1.0 3.0
   70    86    93    95   0.15000  1.0 3.0
   70    86    93    98   0.56750  1.0 1.0
   70    86    93    98  -0.07550 -1.0 2.0
   70    86    93    98   0.20000  1.0 3.0
   71    70    82    83   0.15000  1.0 3.0
   71    70    82    84   0.15000  1.0 3.0
   71    70    82    85   0.15000  1.0 3.0
   71    70    86    87   0.15000  1.0 3.0
   71    70    86    88   0.15000  1.0 3.0
   71    70    86    93   0.15000  1.0 3.0
   82    70    86    87   0.15000  1.0 3.0
   82    70    86    88   0.15000  1.0 3.0
   82    70    86    93   0.56750  1.0 1.0
   82    70    86    93  -0.07550 -1.0 2.0
   82    70    86    93   0.20000  1.0 3.0
   86    70    82    83   0.15000  1.0 3.0
   86    70    82    84   0.15000  1.0 3.0
   86    70    82    85   0.15000  1.0 3.0
   86    93    98    99   0.15000  1.0 3.0
   86    93    98   100   0.15000  1.0 3.0
   86    93    98   101   0.56750  1.0 1.0
   86    93    98   101  -0.07550 -1.0 2.0
   86    93    98   101   0.20000  1.0 3.0
   87    86    93    94   0.15000  1.0 3.0
   87    86    93    95   0.15000  1.0 3.0
   87    86    93    98   0.15000  1.0 3.0
   88    86    93    94   0.15000  1.0 3.0
   88    86    93    95   0.15000  1.0 3.0
   88    86    93    98   0.15000  1.0 3.0
   93    98   101   102   0.15000  1.0 3.0
   93    98   101   103   0.56750  1.0 1.0
   93    98   101   103  -0.07550 -1.0 2.0
   93    98   101   103   0.20000  1.0 3.0
   93    98   101   107   0.56750  1.0 1.0
   93    98   101   107  -0.07550 -1.0 2.0
   93    98   101   107   0.20000  1.0 3.0
   94    93    98    99   0.15000  1.0 3.0
   94    93    98   100   0.15000  1.0 3.0
   94    93    98   101   0.15000  1.0 3.0
   95    93    98    99   0.15000  1.0 3.0
   95    93    98   100   0.15000  1.0 3.0
   95    93    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
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
END
