* LIGAND DATABASE FILE (OPLS2005)
*
001     109   114    225    362     670
    1     0 S   NP   _N1_     1    29.07366    98.73853   -19.86592
    2     1 S   H    _HN1     2     1.02827    57.20067   156.77957
    3     1 S   H    _H1_     3     1.02787    87.89809   -90.31891
    4     1 S   H    _H2_     4     1.02948    63.53541    21.41832
    5     1 S   CT   _CA1     5     1.50116   159.67703    98.57249
    6     5 S   HC   _HA1     6     1.09587   105.13377   109.00214
    7     5 S   CO3  _C1_     7     1.53730   112.43771   -10.99605
    8     7 S   O2Z  _O11     8     1.26350   114.96929   -44.17626
    9     7 S   O2Z  _O12     9     1.26237   114.87297   134.76623
   10     5 S   CT   _CB1    10     1.53081   107.38389  -133.28175
   11    10 S   HC   HB11    11     1.09831   109.08940   -51.58767
   12    10 S   HC   HB12    12     1.09808   110.57661    64.95275
   13    10 S   CT   _CG1    13     1.52979   112.64639  -172.67584
   14    13 S   HC   HG11    14     1.09525   110.42895   -70.25832
   15    13 S   HC   HG12    15     1.09676   109.80880    48.91863
   16    13 S   C    _CD1    16     1.51840   112.26400   169.33225
   17    16 S   O    _OE1    17     1.22733   123.24805     9.65547
   18    16 S   N    _N2_    18     1.38632   111.69355  -170.17061
   19    18 S   H    _HN2    19     1.01583   118.90737     0.16551
   20    18 S   CT1  _CA2    20     1.46329   123.50932   175.59980
   21    20 S   HC   _HA2    21     1.09736   109.41736     2.33448
   22    20 S   C    _C2_    22     1.53569   108.45543  -113.01844
   23    22 S   O    _O2_    23     1.23051   122.34743  -148.15014
   24    20 S   CT   _CB2    32     1.53214   111.35631   124.60352
   25    24 S   HC   HB21    33     1.09482   109.80952    55.15259
   26    24 S   HC   HB22    34     1.09508   110.81716   173.62668
   27    22 S   N    _N3_    24     1.38352   113.65896    39.35656
   28    27 S   H    _HN3    25     1.01579   119.54735    -3.36982
   29    24 S   S    _SG2    35     1.82798   111.02813   -67.50753
   30    27 S   CT   _CA3    26     1.45279   123.27781   177.14172
   31    30 S   HC   HA31    27     1.09549   107.51837   -64.58594
   32    30 S   HC   HA32    28     1.09556   107.98679    51.86805
   33    29 S   CT   _C25    36     1.84913   100.18828   148.74998
   34    33 S   HC   _H8_    37     1.10077   103.48031    36.44869
   35    30 S   CO3  _C3_    29     1.52975   114.03775   173.86001
   36    35 S   O2Z  _O31    30     1.26386   116.06077    -0.52227
   37    35 S   O2Z  _O32    31     1.26426   114.41713   179.53945
   38    33 S   CT   _C26    38     1.54705   109.72831   -77.92036
   39    38 S   HC   _H31    39     1.09874   108.74875   159.11774
   40    38 S   HC   _H32    40     1.09605   110.18454    44.83959
   41    38 S   CT   _C17    41     1.53893   114.41606   -79.41011
   42    41 S   HC   _H6_    42     1.09246   106.81510    66.81493
   43    41 S   CT   _C9_    43     1.53460   110.78252  -176.26671
   44    43 S   HC   _H4_    44     1.10302   106.57542    65.82340
   45    41 S   CT   _C18    59     1.57094   112.28579   -53.79382
   46    45 S   HC   _H7_    60     1.10038   107.17787   -59.49401
   47    43 S   CT   _C10    45     1.52352   118.16713   -53.20368
   48    47 S   HC   _H14    46     1.09487   112.00633    79.22716
   49    47 S   HC   _H15    47     1.09511   111.54134   -41.36076
   50    45 S   CT   _C19    61     1.60036   110.65162    56.13871
   51    47 S   CT   _C11    48     1.53327   104.32197  -160.49416
   52    51 S   HC   _H16    49     1.09434   109.01299   128.96702
   53    51 S   HC   _H17    50     1.09582   110.90713  -113.14246
   54    50 S   CT   _C20    62     1.56930   113.23868  -175.98419
   55    54 S   HC   _H25    63     1.09672   110.71302    53.82404
   56    54 S   HC   _H26    64     1.09398   110.45850   -63.48387
   57    50 S   CT   _C29    82     1.56219   108.26340    68.24525
   58    57 S   HC   _H37    83     1.08954   113.76645   -45.63001
   59    57 S   HC   _H38    84     1.09282   112.83149  -167.55596
   60    57 S   HC   _H39    85     1.09648   110.91064    73.51134
   61    51 S   CT   _C12    51     1.55558   106.90516     7.11235
   62    61 S   HC   _H5_    52     1.10182   105.79998   -90.77558
   63    54 S   CT   _C21    65     1.53639   113.55857   177.64798
   64    63 S   HC   _H27    66     1.09692   109.69614    70.52280
   65    63 S   HC   _H28    67     1.09811   108.15976  -175.37598
   66    43 S   CT   _C8_    53     1.54741   113.28138  -174.98855
   67    63 S   CO   _C22    68     1.52963   114.32260   -53.08227
   68    61 S   CO   _C13    97     1.54863   112.41677   153.71222
   69    66 S   CT   _C7_    54     1.53301   106.09405   -63.38868
   70    69 S   HC   _H12    55     1.09899   110.22615   -64.67076
   71    69 S   HC   _H13    56     1.09407   110.86754   179.66957
   72    67 S   CT   _C23    69     1.54732   112.78355    46.17527
   73    72 S   HC   _H29    70     1.10133   108.70961  -170.87099
   74    72 S   HC   _H30    71     1.09626   107.44937    76.50473
   75    67 S   OS   _O38    74     1.44113   108.35163   -77.20153
   76    66 S   CT   _C30    93     1.54567   113.91232    57.59827
   77    76 S   HC   _H40    94     1.09384   112.32776    61.74952
   78    76 S   HC   _H41    95     1.09308   112.92470   -58.88348
   79    76 S   HC   _H42    96     1.09499   110.83788  -177.74259
   80    68 S   OS   _O35    98     1.44651   108.30804    61.90157
   81    68 S   CT   _C16   106     1.52808   113.07234   179.47735
   82    81 S   HC   _H22   107     1.09665   110.62269  -167.47391
   83    81 S   HC   _H23   108     1.09294   111.85969    74.19655
   84    81 S   HC   _H24   109     1.09486   111.37123   -49.11463
   85    69 S   CT   _C6_    57     1.54744   113.15570    57.34049
   86    85 S   HC   _H3_    58     1.09459   109.49310    70.45131
   87    33 S   CT   _C24    72     1.57485   115.40102   154.67928
   88    87 S   OM   _O37    73     1.33454   104.10346  -164.97455
   89    75 S   CT   _C27    75     1.42445   105.09780  -131.72234
   90    89 S   HC   _H33    76     1.09531   108.30498   -86.20578
   91    89 S   HC   _H34    77     1.09264   110.79080   153.86011
   92    80 S   CT   _C14    99     1.42793   105.61220  -116.44523
   93    92 S   HC   _H18   100     1.09290   110.63363  -146.81946
   94    92 S   HC   _H19   101     1.09463   108.13338    94.02939
   95    89 S   CT   _C28    78     1.50127   102.97376    32.27222
   96    95 S   HC   _H35    79     1.09533   111.66351    76.60123
   97    95 S   HC   _H36    80     1.09264   113.45249  -159.27455
   98    85 S   OS   _O34    86     1.44860   106.06677  -171.66940
   99    92 S   CT   _C15   102     1.50269   104.21008   -24.77001
  100    99 S   HC   _H20   103     1.09274   113.33713   155.93224
  101    99 S   HC   _H21   104     1.09523   111.68309   -80.37978
  102    67 S   OS   _O39    81     1.44551   108.44255   165.25659
  103    98 S   CO4  _C5_    87     1.36324   117.70820   -83.36008
  104   103 S   O    _O33    88     1.22314   126.54840    -0.41069
  105    68 S   OS   _O36   105     1.43447   111.62514   -57.84489
  106   103 S   CT   _C4_    89     1.49850   109.40470   179.65850
  107   106 S   HC   _H9_    90     1.09290   109.82120   -60.72697
  108   106 S   HC   _H10    91     1.09377   109.35889  -179.74977
  109   106 S   HC   _H11    92     1.09289   109.85429    61.18553
  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
  17   8   2   1   1  15   6   5  20   8  22   9  22   8  11   6
   5  20  11   5   4  16   7   6   8   3   2   1  19   7  11   5
   4  14  13  14  10   5   4   8   5   4   8   4   2   1   1  11
   6   3   2   1   6   2   2   1   6   5   4   6   5   4   3   2
   1   6   3   2   1   1   5   4   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    87    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    50    72    87    88  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    50    54    67    72    73    74    87    88    57  
   38    39    40    41    50    72    87    88  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    66    85    45    46    50    72    87    88  
   40    41    42    43    45    87  
   41    42    43    45    87  
   42    43    44    47    48    49    51    61    66    69    85    86    45    46    50    54    87    57    98    76  
   43    44    47    66    85    45    46    50  
   44    47    48    49    51    52    53    61    62    66    69    70    71    85    45    46    50    76    77    78    79    68  
   47    48    49    51    61    66    69    45    76  
   46    50    54    55    56    63    72    87    88    57    58    59    60    98   103    47    66    69    70    71    85    86  
   50    54    87    57    98    69    85    86  
   48    49    51    52    53    61    62    66    69    76    68  
   49    51    52    53    61    66  
   51    52    53    61    66  
   54    55    56    63    64    65    67    72    73    74    87    88    57    58    59    60    98    69    85    86  
   52    53    61    62    66    69    76    68    80   105    81  
   53    61    62    66    68  
   61    62    66    68  
   55    56    63    64    65    67    72    87    88    75   102    57    58    59    60    85  
   56    63    64    65    67    87    57  
   63    64    65    67    87    57  
   58    59    60    63    72    85    87    88  
   59    60    87  
   60    87  
   87  
   62    66    69    70    71    85    76    77    78    79    68    80    92    99   105    81    82    83    84  
   66    69    76    68    80   105    81  
   64    65    67    72    73    74    87    75    89    95   102  
   65    67    72    75   102  
   67    72    75   102  
   69    70    71    85    86    98    76    77    78    79    68    80   105    81  
   72    73    74    87    88    75    89    90    91    95    96    97   102  
   80    92    93    94    99   100   101   105    81    82    83    84    69    76  
   70    71    85    86    98   103    76    77    78    79  
   71    85    86    98    76  
   85    86    98    76  
   73    74    87    88    75    89    95   102  
   74    87    88    75   102  
   87    88    75   102  
   89    90    91    95    96    97   102    87  
   77    78    79    85  
   78    79  
   79  
    0  
   92    93    94    99   100   101   105    81    82    83    84  
   82    83    84    92    99   105  
   83    84   105  
   84   105  
  105  
   86    87    98   103   104   106  
   98   103  
   88   102  
    0  
   90    91    95    96    97   102  
   91    95    96    97   102  
   95    96    97   102  
   93    94    99   100   101   105  
   94    99   100   101   105  
   99   100   101   105  
   96    97   102  
   97   102  
  102  
  103   104   106   107   108   109  
  100   101   105  
  101   105  
  105  
    0  
  104   106   107   108   109  
  106   107   108   109  
    0  
  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   0.107500   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   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   89   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   98   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  102   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  103   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  104   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  105   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  108   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  109   2.4200   0.0150   0.060000   1.3810   1.2100   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    87   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    68   250.000  1.527
   66    69   268.000  1.529
   66    76   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    85   268.000  1.529
   85    86   340.000  1.090
   85    45   268.000  1.529
   85    98   320.000  1.410
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    54   268.000  1.529
   50    87   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   250.000  1.527
   67    72   250.000  1.527
   67    75   320.000  1.380
   67   102   320.000  1.380
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    87   268.000  1.529
   87    88   570.000  1.307
   75    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95   102   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   98   103   214.000  1.327
  103   104   570.000  1.229
  103   106   317.000  1.522
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   68    80   320.000  1.380
   68   105   320.000  1.380
   68    81   250.000  1.527
   80    92   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   105   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   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    87    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    87    50    58.35000  112.70000
   33    87    72    58.35000  112.70000
   33    87    88    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    85    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    69    58.35000  112.70000
   43    66    76    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    68    75.00000  109.43000
   53    51    52    33.00000  107.80000
   61    51    52    37.50000  110.70000
   61    51    53    37.50000  110.70000
   61    66    69    58.35000  112.70000
   61    66    76    58.35000  112.70000
   61    68    80    90.00000  108.56700
   61    68   105    90.00000  108.56700
   61    68    81    65.00000  112.71400
   66    43    44    37.50000  110.70000
   66    43    47    58.35000  112.70000
   66    61    62    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    85    58.35000  112.70000
   66    76    77    37.50000  110.70000
   66    76    78    37.50000  110.70000
   66    76    79    37.50000  110.70000
   69    85    86    37.50000  110.70000
   69    85    45    58.35000  112.70000
   69    85    98    50.00000  109.50000
   71    69    70    33.00000  107.80000
   85    69    70    37.50000  110.70000
   85    69    71    37.50000  110.70000
   85    45    46    37.50000  110.70000
   85    45    50    58.35000  112.70000
   85    98   103    83.00000  116.90000
   45    41    42    37.50000  110.70000
   45    41    43    58.35000  112.70000
   45    85    86    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    87    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    87    72    58.35000  112.70000
   50    87    88    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    75.00000  109.43000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    67    72    65.00000  112.71400
   63    67    75    90.00000  108.56700
   63    67   102    90.00000  108.56700
   65    63    64    33.00000  107.80000
   67    63    64    45.00000  108.72000
   67    63    65    45.00000  108.72000
   67    72    73    45.00000  108.72000
   67    72    74    45.00000  108.72000
   67    72    87    75.00000  109.43000
   67    75    89    60.00000  109.50000
   67   102    95    60.00000  109.50000
   72    87    88    50.00000  109.50000
   74    72    73    33.00000  107.80000
   87    33    34    37.50000  110.70000
   87    33    38    58.35000  112.70000
   87    50    54    58.35000  112.70000
   87    72    73    37.50000  110.70000
   87    72    74    37.50000  110.70000
   75    67    72    90.00000  108.56700
   75    89    90    35.00000  109.50000
   75    89    91    35.00000  109.50000
   75    89    95    50.00000  109.50000
   89    95    96    37.50000  110.70000
   89    95    97    37.50000  110.70000
   89    95   102    50.00000  109.50000
   91    89    90    33.00000  107.80000
   95    89    90    37.50000  110.70000
   95    89    91    37.50000  110.70000
   97    95    96    33.00000  107.80000
  102    67    72    90.00000  108.56700
  102    67    75    92.60000  111.55000
  102    95    96    35.00000  109.50000
  102    95    97    35.00000  109.50000
   57    50    54    58.35000  112.70000
   57    50    87    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
   98    85    86    35.00000  109.50000
   98    85    45    50.00000  109.50000
   98   103   104    83.00000  123.40000
   98   103   106    81.00000  111.40000
  103   106   107    35.00000  109.50000
  103   106   108    35.00000  109.50000
  103   106   109    35.00000  109.50000
  106   103   104    80.00000  120.40000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   76    66    69    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   68    61    62    45.00000  108.72000
   68    61    66    75.00000  109.43000
   68    80    92    60.00000  109.50000
   68   105    99    60.00000  109.50000
   68    81    82    45.00000  108.72000
   68    81    83    45.00000  108.72000
   68    81    84    45.00000  108.72000
   80    92    93    35.00000  109.50000
   80    92    94    35.00000  109.50000
   80    92    99    50.00000  109.50000
   92    99   100    37.50000  110.70000
   92    99   101    37.50000  110.70000
   92    99   105    50.00000  109.50000
   94    92    93    33.00000  107.80000
   99    92    93    37.50000  110.70000
   99    92    94    37.50000  110.70000
  101    99   100    33.00000  107.80000
  105    68    80    92.60000  111.55000
  105    99   100    35.00000  109.50000
  105    99   101    35.00000  109.50000
   81    68    80    90.00000  108.56700
   81    68   105    90.00000  108.56700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
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   55    54    63    67   0.15000  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    65   0.15000  1.0 3.0
   56    54    63    67   0.15000  1.0 3.0
   63    67    72    73   0.15000  1.0 3.0
   63    67    72    74   0.15000  1.0 3.0
   63    67    72    87   0.56750  1.0 1.0
   63    67    72    87  -0.07550 -1.0 2.0
   63    67    72    87   0.20000  1.0 3.0
   63    67    75    89   0.06250  1.0 1.0
   63    67    75    89  -0.01100 -1.0 2.0
   63    67    75    89   0.28050  1.0 3.0
   63    67   102    95   0.06250  1.0 1.0
   63    67   102    95  -0.01100 -1.0 2.0
   63    67   102    95   0.28050  1.0 3.0
   64    63    67    72   0.15000  1.0 3.0
   64    63    67    75   0.23400  1.0 3.0
   64    63    67   102   0.23400  1.0 3.0
   65    63    67    72   0.15000  1.0 3.0
   65    63    67    75   0.23400  1.0 3.0
   65    63    67   102   0.23400  1.0 3.0
   67    72    87    33   3.97050  1.0 1.0
   67    72   -87    50   3.97050  1.0 1.0
   67    72    87    88   0.62750  1.0 1.0
   67    72    87    88  -0.30950 -1.0 2.0
   67    72    87    88   0.27300  1.0 3.0
   67    75    89    90   0.37050  1.0 3.0
   67    75    89    91   0.37050  1.0 3.0
   67    75   -89    95   0.06250  1.0 1.0
   67    75   -89    95  -0.01100 -1.0 2.0
   67    75   -89    95   0.28050  1.0 3.0
   72    67    75    89   0.06250  1.0 1.0
   72    67    75    89  -0.01100 -1.0 2.0
   72    67    75    89   0.28050  1.0 3.0
   72    67   102    95   0.06250  1.0 1.0
   72    67   102    95  -0.01100 -1.0 2.0
   72    67   102    95   0.28050  1.0 3.0
   73    72    87    33   0.15000  1.0 3.0
   73    72    87    50   0.15000  1.0 3.0
   73    72    87    88   0.23400  1.0 3.0
   74    72    87    33   0.15000  1.0 3.0
   74    72    87    50   0.15000  1.0 3.0
   74    72    87    88   0.23400  1.0 3.0
   87    33    38    39   0.15000  1.0 3.0
   87    33    38    40   0.15000  1.0 3.0
   87    33   -38    41   0.56750  1.0 1.0
   87    33   -38    41  -0.07550 -1.0 2.0
   87    33   -38    41   0.20000  1.0 3.0
   87    50    54    55   0.15000  1.0 3.0
   87    50    54    56   0.15000  1.0 3.0
   87    50   -54    63   0.56750  1.0 1.0
   87    50   -54    63  -0.07550 -1.0 2.0
   87    50   -54    63   0.20000  1.0 3.0
   87    50    57    58   0.15000  1.0 3.0
   87    50    57    59   0.15000  1.0 3.0
   87    50    57    60   0.15000  1.0 3.0
   75    67    72    73   0.23400  1.0 3.0
   75    67    72    74   0.23400  1.0 3.0
   75    67    72    87   0.62750  1.0 1.0
   75    67    72    87  -0.30950 -1.0 2.0
   75    67    72    87   0.27300  1.0 3.0
   75    67  -102    95  -0.53350  1.0 1.0
   75    67  -102    95  -0.78350 -1.0 2.0
   75    67  -102    95   0.33750  1.0 3.0
   75    89    95    96   0.23400  1.0 3.0
   75    89    95    97   0.23400  1.0 3.0
   75    89   -95   102   1.11900  1.0 1.0
   75    89   -95   102  -1.16350 -1.0 2.0
   75    89   -95   102  -0.34150  1.0 3.0
   89    95  -102    67   0.06250  1.0 1.0
   89    95  -102    67  -0.01100 -1.0 2.0
   89    95  -102    67   0.28050  1.0 3.0
   90    89    95    96   0.15000  1.0 3.0
   90    89    95    97   0.15000  1.0 3.0
   90    89    95   102   0.23400  1.0 3.0
   91    89    95    96   0.15000  1.0 3.0
   91    89    95    97   0.15000  1.0 3.0
   91    89    95   102   0.23400  1.0 3.0
   96    95   102    67   0.37050  1.0 3.0
   97    95   102    67   0.37050  1.0 3.0
  102    67    72    73   0.23400  1.0 3.0
  102    67    72    74   0.23400  1.0 3.0
  102    67    72    87   0.62750  1.0 1.0
  102    67    72    87  -0.30950 -1.0 2.0
  102    67    72    87   0.27300  1.0 3.0
  102    67   -75    89  -0.53350  1.0 1.0
  102    67   -75    89  -0.78350 -1.0 2.0
  102    67   -75    89   0.33750  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    87    33   0.56750  1.0 1.0
   57    50    87    33  -0.07550 -1.0 2.0
   57    50    87    33   0.20000  1.0 3.0
   57    50    87    72   0.56750  1.0 1.0
   57    50    87    72  -0.07550 -1.0 2.0
   57    50    87    72   0.20000  1.0 3.0
   57    50    87    88   0.62750  1.0 1.0
   57    50    87    88  -0.30950 -1.0 2.0
   57    50    87    88   0.27300  1.0 3.0
   98    85    45    41   0.62750  1.0 1.0
   98    85    45    41  -0.30950 -1.0 2.0
   98    85    45    41   0.27300  1.0 3.0
   98    85    45    46   0.23400  1.0 3.0
   98    85    45    50   0.62750  1.0 1.0
   98    85    45    50  -0.30950 -1.0 2.0
   98    85    45    50   0.27300  1.0 3.0
   98   103   106   107   0.00000  1.0 1.0
   98   103   106   108   0.00000  1.0 1.0
   98   103   106   109   0.00000  1.0 1.0
  104   103   106   107   0.00000  1.0 1.0
  104   103   106   108   0.00000  1.0 1.0
  104   103   106   109   0.00000  1.0 1.0
   76    66    69    70   0.15000  1.0 3.0
   76    66    69    71   0.15000  1.0 3.0
   76    66    69    85   0.56750  1.0 1.0
   76    66    69    85  -0.07550 -1.0 2.0
   76    66    69    85   0.20000  1.0 3.0
   68    61    66    43   3.97050  1.0 1.0
   68    61    66    69   3.97050  1.0 1.0
   68    61    66    76   3.97050  1.0 1.0
   68    80    92    93   0.37050  1.0 3.0
   68    80    92    94   0.37050  1.0 3.0
   68    80   -92    99   0.06250  1.0 1.0
   68    80   -92    99  -0.01100 -1.0 2.0
   68    80   -92    99   0.28050  1.0 3.0
   80    68  -105    99  -0.53350  1.0 1.0
   80    68  -105    99  -0.78350 -1.0 2.0
   80    68  -105    99   0.33750  1.0 3.0
   80    68    81    82   0.23400  1.0 3.0
   80    68    81    83   0.23400  1.0 3.0
   80    68    81    84   0.23400  1.0 3.0
   80    92    99   100   0.23400  1.0 3.0
   80    92    99   101   0.23400  1.0 3.0
   80    92   -99   105   1.11900  1.0 1.0
   80    92   -99   105  -1.16350 -1.0 2.0
   80    92   -99   105  -0.34150  1.0 3.0
   92    99  -105    68   0.06250  1.0 1.0
   92    99  -105    68  -0.01100 -1.0 2.0
   92    99  -105    68   0.28050  1.0 3.0
   93    92    99   100   0.15000  1.0 3.0
   93    92    99   101   0.15000  1.0 3.0
   93    92    99   105   0.23400  1.0 3.0
   94    92    99   100   0.15000  1.0 3.0
   94    92    99   101   0.15000  1.0 3.0
   94    92    99   105   0.23400  1.0 3.0
  100    99   105    68   0.37050  1.0 3.0
  101    99   105    68   0.37050  1.0 3.0
  105    68   -80    92  -0.53350  1.0 1.0
  105    68   -80    92  -0.78350 -1.0 2.0
  105    68   -80    92   0.33750  1.0 3.0
  105    68    81    82   0.23400  1.0 3.0
  105    68    81    83   0.23400  1.0 3.0
  105    68    81    84   0.23400  1.0 3.0
   81    68    80    92   0.06250  1.0 1.0
   81    68    80    92  -0.01100 -1.0 2.0
   81    68    80    92   0.28050  1.0 3.0
   81    68   105    99   0.06250  1.0 1.0
   81    68   105    99  -0.01100 -1.0 2.0
   81    68   105    99   0.28050  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
   98   106   103   104  10.50000 -1.0 2.0
END
