* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    225    368     687
    1     0 S   NP   _N1_     1    28.99655    92.61471   -20.17421
    2     1 S   H    _HN1     2     1.02789    79.74526   -77.68823
    3     1 S   H    _H1_     3     1.02953   111.74868    27.93538
    4     1 S   H    _H2_     4     1.02849    28.64716   114.13366
    5     1 S   CT   _CA1     5     1.50066   128.99772   172.10405
    6     5 S   HC   _HA1     6     1.09579   105.35077    34.05599
    7     5 S   CO3  _C1_     7     1.53948   111.89941   -86.17162
    8     7 S   O2Z  _O11     8     1.26388   115.21582   -57.71858
    9     7 S   O2Z  _O12     9     1.26230   114.81397   121.38232
   10     5 S   CT   _CB1    10     1.53066   107.41449   151.77474
   11    10 S   HC   HB11    11     1.09821   109.75392   -50.72333
   12    10 S   HC   HB12    12     1.09835   110.21854    65.77470
   13    10 S   CT   _CG1    13     1.53081   112.53980  -171.81233
   14    13 S   HC   HG11    14     1.09585   110.32331   -52.05461
   15    13 S   HC   HG12    15     1.09578   110.38353    67.16190
   16    13 S   C    _CD1    16     1.51730   111.50841  -172.47903
   17    16 S   O    _OE1    17     1.22767   122.98161   -20.15192
   18    16 S   N    _N2_    18     1.38578   111.93765   159.78251
   19    18 S   H    _HN2    19     1.01573   119.22678     4.50663
   20    18 S   CT1  _CA2    20     1.46238   123.09059  -171.71656
   21    20 S   HC   _HA2    21     1.09720   109.38685   -14.57582
   22    20 S   C    _C2_    22     1.53267   108.69956  -130.78060
   23    22 S   O    _O2_    23     1.23012   122.20968  -145.93635
   24    20 S   CT   _CB2    32     1.53645   110.95018   107.01477
   25    24 S   HC   HB21    33     1.09580   109.38314    58.88547
   26    24 S   HC   HB22    34     1.09481   110.54980   177.67232
   27    22 S   N    _N3_    24     1.38496   113.33892    41.43315
   28    27 S   H    _HN3    25     1.01537   118.89829    -0.54644
   29    24 S   S    _SG2    35     1.82939   111.58052   -61.98933
   30    27 S   CT   _CA3    26     1.45443   123.39008   175.10887
   31    30 S   HC   HA31    27     1.09528   109.16267    25.73636
   32    30 S   HC   HA32    28     1.09494   107.14078   142.72632
   33    29 S   CT   _C22    36     1.84580   100.01374   160.54249
   34    33 S   HC   _H8_    37     1.09505   106.85448   -34.32734
   35    30 S   CO3  _C3_    29     1.52930   113.16925   -97.68930
   36    35 S   O2Z  _O31    30     1.26397   115.42716   -44.14468
   37    35 S   O2Z  _O32    31     1.26359   114.96960   136.80354
   38    33 S   CT   _C21    38     1.53839   107.55921    82.69717
   39    38 S   HC   _H34    39     1.09787   110.71823    53.89202
   40    38 S   HC   _H35    40     1.09762   109.18649   -62.55441
   41    38 S   CT   _C20    41     1.53745   113.12307   176.62269
   42    41 S   HC   _H7_    42     1.09442   106.78498    68.74092
   43    41 S   CT   _C15    43     1.53541   111.37758  -173.11285
   44    43 S   HC   _H5_    44     1.10329   106.41186    65.33043
   45    41 S   CT   _C19    60     1.55916   111.95787   -51.32415
   46    45 S   HC   _H6_    61     1.09969   106.91666   -62.23083
   47    43 S   CT   _C14    45     1.52150   118.36968   -53.54399
   48    47 S   HC   _H28    46     1.09484   112.08479    77.66176
   49    47 S   HC   _H29    47     1.09577   111.56605   -43.03559
   50    45 S   CT   _C24    62     1.57772   111.68710    54.60006
   51    47 S   CT   _C13    48     1.53434   103.98600  -162.10609
   52    51 S   HC   _H26    49     1.09598   109.24704   129.93098
   53    51 S   HC   _H27    50     1.09574   110.70271  -111.92645
   54    50 S   CT   _C25    63     1.55765   110.37903  -175.93177
   55    54 S   HC   _H36    64     1.09740   109.96457    52.49828
   56    54 S   HC   _H37    65     1.09620   110.60774   -64.53577
   57    50 S   CT   _C29    79     1.55627   109.88114    65.39067
   58    57 S   HC   _H43    80     1.09219   112.97259   -55.78111
   59    57 S   HC   _H44    81     1.09306   112.67602  -176.18869
   60    57 S   HC   _H45    82     1.09496   111.22966    64.89439
   61    51 S   CT   _C12    51     1.55611   107.15490     8.44294
   62    61 S   HC   _H4_    52     1.09949   107.25984   -91.80146
   63    54 S   CT   _C26    66     1.52907   113.29047   174.61985
   64    63 S   HC   _H38    67     1.09707   110.26379    71.07509
   65    63 S   HC   _H39    68     1.09756   109.42511  -174.40119
   66    43 S   CT   _C16    53     1.55036   113.58704  -175.79323
   67    63 S   CT   _C27    69     1.52417   113.13304   -52.40990
   68    67 S   HC   _H9_    70     1.09648   109.01923   -73.16368
   69    61 S   CT   _C5_    87     1.55298   112.06629   150.28191
   70    69 S   HC   _H3_    88     1.09795   108.37009   -61.99937
   71    66 S   CT   _C17    54     1.53874   106.61749   -61.75763
   72    71 S   HC   _H30    55     1.09770   109.96683   -64.84338
   73    71 S   HC   _H31    56     1.09351   111.34143   177.54226
   74    67 S   CT   _C28    71     1.53383   112.97392    49.15695
   75    74 S   HC   _H40    72     1.09614   110.42991    73.36489
   76    74 S   HC   _H41    73     1.09727   106.31871  -173.14897
   77    67 S   OH   _O33    77     1.42544   108.00790   170.61150
   78    77 S   HO   _H42    78     0.97614   108.05842  -179.97202
   79    66 S   CT   _C30    83     1.54789   113.82712    59.62169
   80    79 S   HC   _H47    84     1.09446   112.44309    62.79994
   81    79 S   HC   _H48    85     1.09303   112.81227   -58.05490
   82    79 S   HC   _H49    86     1.09509   110.84187  -177.33186
   83    69 S   CT   _C4_    89     1.53169   112.76650   179.79537
   84    83 S   HC   _H10    90     1.09457   111.71044   -47.74515
   85    83 S   HC   _H11    91     1.09266   111.07632    73.38244
   86    83 S   HC   _H12    92     1.09558   111.11087  -168.47053
   87    69 S   CT   _C6_    93     1.55177   113.01404    54.54100
   88    87 S   HC   _H13    94     1.09829   108.32402  -176.11294
   89    87 S   HC   _H14    95     1.09659   109.53256   -61.60860
   90    71 S   CT   _C18    57     1.54035   112.25962    56.20339
   91    90 S   HC   _H32    58     1.09398   108.91268    70.08000
   92    90 S   HC   _H33    59     1.09557   107.25998  -175.19988
   93    33 S   CT   _C23    74     1.55892   112.45054  -152.74266
   94    87 S   CT   _C7_    96     1.53386   115.25154    61.78664
   95    94 S   HC   _H15    97     1.09534   110.10944    57.58619
   96    94 S   HC   _H16    98     1.09371   109.56726   -60.55571
   97    93 S   OH   _O34    75     1.44320   109.14291   -57.44593
   98    97 S   HO   _H46    76     0.96924   109.71880   -45.24135
   99    94 S   CT   _C8_    99     1.53337   110.95925   178.54855
  100    99 S   HC   _H17   100     1.09756   109.35090    61.93345
  101    99 S   HC   _H18   101     1.09770   108.66613   -54.09411
  102    99 S   CT   _C9_   102     1.54009   113.48007  -175.16479
  103   102 S   HC   _H19   103     1.09737   108.70621    56.31620
  104   102 S   CT   _C10   104     1.52941   112.49333   -63.53172
  105   104 S   HC   _H20   105     1.09522   111.25811   -55.83298
  106   104 S   HC   _H21   106     1.09546   110.75246  -175.89950
  107   104 S   HC   _H22   107     1.09409   111.38583    64.98963
  108   102 S   CT   _C11   108     1.53076   109.79025   174.01657
  109   108 S   HC   _H23   109     1.09539   111.28450    61.95811
  110   108 S   HC   _H24   110     1.09521   110.83649  -177.78822
  111   108 S   HC   _H25   111     1.09516   110.83626   -58.31953
  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  10   5
   4  14   8   6  14   8   9   5   4   7   4   3   2   1   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    93    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    50    74    93    97  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    50    54    67    74    75    76    93    97    98    57  
   38    39    40    41    50    74    93    97  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    66    90    45    46    50    74    93    97  
   40    41    42    43    45    93  
   41    42    43    45    93  
   42    43    44    47    48    49    51    61    66    71    90    91    92    45    46    50    54    93    57    79  
   43    44    47    66    90    45    46    50  
   44    47    48    49    51    52    53    61    62    66    71    72    73    90    45    46    50    79    80    81    82    69  
   47    48    49    51    61    66    71    45    79  
   46    50    54    55    56    63    74    93    97    57    58    59    60    47    66    71    72    73    90    91    92  
   50    54    93    57    71    90    91    92  
   48    49    51    52    53    61    62    66    71    79    69  
   49    51    52    53    61    66  
   51    52    53    61    66  
   54    55    56    63    64    65    67    74    75    76    93    97    98    57    58    59    60    71    90    91    92  
   52    53    61    62    66    71    79    69    70    83    87  
   53    61    62    66    69  
   61    62    66    69  
   55    56    63    64    65    67    68    74    93    97    77    57    58    59    60    90  
   56    63    64    65    67    93    57  
   63    64    65    67    93    57  
   58    59    60    63    74    90    93    97  
   59    60    93  
   60    93  
   93  
   62    66    71    72    73    90    79    80    81    82    69    70    83    84    85    86    87    88    89    94  
   66    71    79    69    70    83    87  
   64    65    67    68    74    75    76    93    77    78  
   65    67    68    74    77  
   67    68    74    77  
   71    72    73    90    91    92    79    80    81    82    69    70    83    87  
   68    74    75    76    93    97    77    78  
   74    75    76    93    77    78  
   70    83    84    85    86    87    88    89    94    95    96    99    71    79  
   83    84    85    86    87    88    89    94  
   72    73    90    91    92    79    80    81    82  
   73    90    91    92    79  
   90    91    92    79  
   75    76    93    97    98    77    78  
   76    93    97    77  
   93    97    77  
   78    93  
    0  
   80    81    82    90  
   81    82  
   82  
    0  
   84    85    86    87    88    89    94  
   85    86    87  
   86    87  
   87  
   88    89    94    95    96    99   100   101   102  
   89    94    95    96    99  
   94    95    96    99  
   91    92    93  
   92  
    0  
   97    98  
   95    96    99   100   101   102   103   104   108  
   96    99   100   101   102  
   99   100   101   102  
   98  
    0  
  100   101   102   103   104   105   106   107   108   109   110   111  
  101   102   103   104   108  
  102   103   104   108  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108  
  108  
  109   110   111  
  110   111  
  111  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  111   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    93   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    69   268.000  1.529
   66    71   268.000  1.529
   66    79   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    45   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    54   268.000  1.529
   50    93   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    74   268.000  1.529
   67    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    93   268.000  1.529
   93    97   320.000  1.410
   97    98   553.000  0.945
   77    78   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   69    70   340.000  1.090
   69    83   268.000  1.529
   69    87   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   340.000  1.090
  102   104   268.000  1.529
  102   108   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   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    93    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    93    50    58.35000  112.70000
   33    93    74    58.35000  112.70000
   33    93    97    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    90    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    71    58.35000  112.70000
   43    66    79    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    69    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    71    58.35000  112.70000
   61    66    79    58.35000  112.70000
   61    69    70    37.50000  110.70000
   61    69    83    58.35000  112.70000
   61    69    87    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    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    90    58.35000  112.70000
   66    79    80    37.50000  110.70000
   66    79    81    37.50000  110.70000
   66    79    82    37.50000  110.70000
   71    90    91    37.50000  110.70000
   71    90    92    37.50000  110.70000
   71    90    45    58.35000  112.70000
   73    71    72    33.00000  107.80000
   90    71    72    37.50000  110.70000
   90    71    73    37.50000  110.70000
   90    45    46    37.50000  110.70000
   90    45    50    58.35000  112.70000
   92    90    91    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    58.35000  112.70000
   45    90    91    37.50000  110.70000
   45    90    92    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    93    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    93    74    58.35000  112.70000
   50    93    97    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    74    58.35000  112.70000
   63    67    77    50.00000  109.50000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    93    58.35000  112.70000
   67    77    78    55.00000  108.50000
   74    67    68    37.50000  110.70000
   74    93    97    50.00000  109.50000
   76    74    75    33.00000  107.80000
   93    33    34    37.50000  110.70000
   93    33    38    58.35000  112.70000
   93    50    54    58.35000  112.70000
   93    74    75    37.50000  110.70000
   93    74    76    37.50000  110.70000
   93    97    98    55.00000  108.50000
   77    67    68    35.00000  109.50000
   77    67    74    50.00000  109.50000
   57    50    54    58.35000  112.70000
   57    50    93    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
   79    66    71    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    66    58.35000  112.70000
   69    83    84    37.50000  110.70000
   69    83    85    37.50000  110.70000
   69    83    86    37.50000  110.70000
   69    87    88    37.50000  110.70000
   69    87    89    37.50000  110.70000
   69    87    94    58.35000  112.70000
   83    69    70    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    69    70    37.50000  110.70000
   87    69    83    58.35000  112.70000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94    99    58.35000  112.70000
   89    87    88    33.00000  107.80000
   94    87    88    37.50000  110.70000
   94    87    89    37.50000  110.70000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   102    58.35000  112.70000
   96    94    95    33.00000  107.80000
   99    94    95    37.50000  110.70000
   99    94    96    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102   104    58.35000  112.70000
   99   102   108    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   104   105    37.50000  110.70000
  102   104   106    37.50000  110.70000
  102   104   107    37.50000  110.70000
  102   108   109    37.50000  110.70000
  102   108   110    37.50000  110.70000
  102   108   111    37.50000  110.70000
  104   102   103    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108   102   103    37.50000  110.70000
  108   102   104    58.35000  112.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    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
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   54    63    67    77   0.86500  1.0 1.0
   54    63    67    77  -0.17500 -1.0 2.0
   54    63    67    77   0.20800  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    65   0.15000  1.0 3.0
   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    74    75   0.15000  1.0 3.0
   63    67    74    76   0.15000  1.0 3.0
   63    67    74    93   0.56750  1.0 1.0
   63    67    74    93  -0.07550 -1.0 2.0
   63    67    74    93   0.20000  1.0 3.0
   63    67    77    78  -0.11600  1.0 1.0
   63    67    77    78  -0.09450 -1.0 2.0
   63    67    77    78   0.21250  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    74   0.15000  1.0 3.0
   64    63    67    77   0.23400  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    74   0.15000  1.0 3.0
   65    63    67    77   0.23400  1.0 3.0
   67    74    93    33   0.56750  1.0 1.0
   67    74    93    33  -0.07550 -1.0 2.0
   67    74    93    33   0.20000  1.0 3.0
   67    74   -93    50   0.56750  1.0 1.0
   67    74   -93    50  -0.07550 -1.0 2.0
   67    74   -93    50   0.20000  1.0 3.0
   67    74    93    97   0.86500  1.0 1.0
   67    74    93    97  -0.17500 -1.0 2.0
   67    74    93    97   0.20800  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    93   0.15000  1.0 3.0
   68    67    77    78   0.19450  1.0 3.0
   74    67    77    78  -0.11600  1.0 1.0
   74    67    77    78  -0.09450 -1.0 2.0
   74    67    77    78   0.21250  1.0 3.0
   74    93    97    98  -0.11600  1.0 1.0
   74    93    97    98  -0.09450 -1.0 2.0
   74    93    97    98   0.21250  1.0 3.0
   75    74    93    33   0.15000  1.0 3.0
   75    74    93    50   0.15000  1.0 3.0
   75    74    93    97   0.23400  1.0 3.0
   76    74    93    33   0.15000  1.0 3.0
   76    74    93    50   0.15000  1.0 3.0
   76    74    93    97   0.23400  1.0 3.0
   93    33    38    39   0.15000  1.0 3.0
   93    33    38    40   0.15000  1.0 3.0
   93    33   -38    41   0.56750  1.0 1.0
   93    33   -38    41  -0.07550 -1.0 2.0
   93    33   -38    41   0.20000  1.0 3.0
   93    50    54    55   0.15000  1.0 3.0
   93    50    54    56   0.15000  1.0 3.0
   93    50   -54    63   0.56750  1.0 1.0
   93    50   -54    63  -0.07550 -1.0 2.0
   93    50   -54    63   0.20000  1.0 3.0
   93    50    57    58   0.15000  1.0 3.0
   93    50    57    59   0.15000  1.0 3.0
   93    50    57    60   0.15000  1.0 3.0
   77    67    74    75   0.23400  1.0 3.0
   77    67    74    76   0.23400  1.0 3.0
   77    67    74    93   0.86500  1.0 1.0
   77    67    74    93  -0.17500 -1.0 2.0
   77    67    74    93   0.20800  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    93    33   0.56750  1.0 1.0
   57    50    93    33  -0.07550 -1.0 2.0
   57    50    93    33   0.20000  1.0 3.0
   57    50    93    74   0.56750  1.0 1.0
   57    50    93    74  -0.07550 -1.0 2.0
   57    50    93    74   0.20000  1.0 3.0
   57    50    93    97   0.86500  1.0 1.0
   57    50    93    97  -0.17500 -1.0 2.0
   57    50    93    97   0.20800  1.0 3.0
   79    66    71    72   0.15000  1.0 3.0
   79    66    71    73   0.15000  1.0 3.0
   79    66    71    90   0.56750  1.0 1.0
   79    66    71    90  -0.07550 -1.0 2.0
   79    66    71    90   0.20000  1.0 3.0
   69    61    66    43   0.56750  1.0 1.0
   69    61    66    43  -0.07550 -1.0 2.0
   69    61    66    43   0.20000  1.0 3.0
   69    61    66    71   0.56750  1.0 1.0
   69    61    66    71  -0.07550 -1.0 2.0
   69    61    66    71   0.20000  1.0 3.0
   69    61    66    79   0.56750  1.0 1.0
   69    61    66    79  -0.07550 -1.0 2.0
   69    61    66    79   0.20000  1.0 3.0
   69    87    94    95   0.15000  1.0 3.0
   69    87    94    96   0.15000  1.0 3.0
   69    87    94    99   0.56750  1.0 1.0
   69    87    94    99  -0.07550 -1.0 2.0
   69    87    94    99   0.20000  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    86   0.15000  1.0 3.0
   70    69    87    88   0.15000  1.0 3.0
   70    69    87    89   0.15000  1.0 3.0
   70    69    87    94   0.15000  1.0 3.0
   83    69    87    88   0.15000  1.0 3.0
   83    69    87    89   0.15000  1.0 3.0
   83    69    87    94   0.56750  1.0 1.0
   83    69    87    94  -0.07550 -1.0 2.0
   83    69    87    94   0.20000  1.0 3.0
   87    69    83    84   0.15000  1.0 3.0
   87    69    83    85   0.15000  1.0 3.0
   87    69    83    86   0.15000  1.0 3.0
   87    94    99   100   0.15000  1.0 3.0
   87    94    99   101   0.15000  1.0 3.0
   87    94    99   102   0.56750  1.0 1.0
   87    94    99   102  -0.07550 -1.0 2.0
   87    94    99   102   0.20000  1.0 3.0
   88    87    94    95   0.15000  1.0 3.0
   88    87    94    96   0.15000  1.0 3.0
   88    87    94    99   0.15000  1.0 3.0
   89    87    94    95   0.15000  1.0 3.0
   89    87    94    96   0.15000  1.0 3.0
   89    87    94    99   0.15000  1.0 3.0
   94    99   102   103   0.15000  1.0 3.0
   94    99   102   104   0.56750  1.0 1.0
   94    99   102   104  -0.07550 -1.0 2.0
   94    99   102   104   0.20000  1.0 3.0
   94    99   102   108   0.56750  1.0 1.0
   94    99   102   108  -0.07550 -1.0 2.0
   94    99   102   108   0.20000  1.0 3.0
   95    94    99   100   0.15000  1.0 3.0
   95    94    99   101   0.15000  1.0 3.0
   95    94    99   102   0.15000  1.0 3.0
   96    94    99   100   0.15000  1.0 3.0
   96    94    99   101   0.15000  1.0 3.0
   96    94    99   102   0.15000  1.0 3.0
   99   102   104   105   0.15000  1.0 3.0
   99   102   104   106   0.15000  1.0 3.0
   99   102   104   107   0.15000  1.0 3.0
   99   102   108   109   0.15000  1.0 3.0
   99   102   108   110   0.15000  1.0 3.0
   99   102   108   111   0.15000  1.0 3.0
  100    99   102   103   0.15000  1.0 3.0
  100    99   102   104   0.15000  1.0 3.0
  100    99   102   108   0.15000  1.0 3.0
  101    99   102   103   0.15000  1.0 3.0
  101    99   102   104   0.15000  1.0 3.0
  101    99   102   108   0.15000  1.0 3.0
  103   102   104   105   0.15000  1.0 3.0
  103   102   104   106   0.15000  1.0 3.0
  103   102   104   107   0.15000  1.0 3.0
  103   102   108   109   0.15000  1.0 3.0
  103   102   108   110   0.15000  1.0 3.0
  103   102   108   111   0.15000  1.0 3.0
  104   102   108   109   0.15000  1.0 3.0
  104   102   108   110   0.15000  1.0 3.0
  104   102   108   111   0.15000  1.0 3.0
  108   102   104   105   0.15000  1.0 3.0
  108   102   104   106   0.15000  1.0 3.0
  108   102   104   107   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
