* LIGAND DATABASE FILE (OPLS2005)
*
001     106   113    212    361     633
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02059   104.70053   -33.39919
    3     1 S   H    _H1_     3     1.02138    67.81269    71.15992
    4     1 S   H    _H2_     4     1.02116    45.08472  -135.30899
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C22    36     1.84596    97.39074   161.82086
   34    33 S   HC   _H8_    37     1.09319   101.05343   -44.29656
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C21    38     1.53763   112.91862  -160.03358
   39    38 S   HC   _H7_    39     1.09737   109.66324   -68.12626
   40    38 S   CT   _C20    40     1.54916   111.25163   172.68458
   41    40 S   HC   _H6_    41     1.10081   106.06697   164.47442
   42    38 S   CO4  _C33   100     1.50588   112.93737    48.27202
   43    42 S   O    _O33   101     1.22359   124.08517     0.64346
   44    40 S   CT   _C19    42     1.54180   113.76347   -80.12053
   45    44 S   HC   _H23    43     1.09247   110.23377    56.55396
   46    44 S   HC   _H24    44     1.09544   109.72240   -58.21118
   47    40 S   CT   _C6_    72     1.55694   111.28102    48.80528
   48    47 S   HC   _H3_    73     1.10120   104.38639    70.06578
   49    42 S   OS   _O34   102     1.36396   109.51630  -179.22924
   50    44 S   CT   _C18    45     1.52817   114.40054   179.32131
   51    50 S   HC   _H5_    46     1.09867   107.68618  -164.31824
   52    47 S   CT   _C5_    74     1.58829   116.05513   -44.35954
   53    49 S   CT   _C34   103     1.43045   115.42612   179.97202
   54    53 S   HC   _H34   104     1.09265   109.53295   179.93744
   55    53 S   HC   _H35   105     1.09326   109.56695    59.15134
   56    53 S   HC   _H36   106     1.09247   108.99116   -60.44848
   57    50 S   C5A  _C17    47     1.49848   117.39630    76.01447
   58    52 S   C5A  _C26    75     1.53031   110.38729   165.25928
   59    52 S   CT   _C4_    96     1.54667   115.56836   -74.86967
   60    59 S   HC   _H9_    97     1.08297   108.82223    57.62369
   61    59 S   HC   _H10    98     1.08194   108.86909   -62.37491
   62    59 S   HC   _H11    99     1.08223   108.78744   177.56450
   63    57 S   C5B  _C10    48     1.47457   122.22422  -148.95156
   64    57 S   NA   _N5_    59     1.28549   123.78422    37.10979
   65    64 S   H    _H22    60     1.01715   128.63741    -3.35847
   66    58 S   C5B  _C25    76     1.33975   124.19414  -106.71544
   67    58 S   NA   _N7_    87     1.41100   127.15050    77.29653
   68    67 S   H    _H29    88     1.01821   124.22206    -2.21240
   69    63 S   C56B _C11    49     1.33975   102.87191  -174.33113
   70    63 S   CT   _C9_    61     1.48080   121.69498     5.33002
   71    70 S   HC   _H16    62     1.09598   109.04558   105.76275
   72    70 S   HC   _H17    63     1.09580   110.48344  -137.25303
   73    66 S   C56B _C28    77     1.43737   105.17844  -177.52868
   74    66 S   CT   _C24    89     1.47303   124.80181     1.71041
   75    74 S   HC   _H27    90     1.09544   110.82844   133.86263
   76    74 S   HC   _H28    91     1.09643   109.45839  -107.41927
   77    69 S   CA   _C12    50     1.45040   129.19325   179.89913
   78    77 S   HA   _H18    51     1.08383   120.22465    -0.24309
   79    70 S   CT   _C8_    64     1.53287   112.10999   -15.54332
   80    79 S   HC   _H14    65     1.09580   111.51236   164.33436
   81    79 S   HC   _H15    66     1.09637   111.30903   -74.66839
   82    73 S   CA   _C29    78     1.44652   132.86356  -179.83214
   83    82 S   HA   _H30    79     1.08311   119.55252     0.45628
   84    74 S   CT   _C23    92     1.53606   109.61098    13.30263
   85    84 S   HC   _H25    93     1.09595   109.07413    79.34052
   86    84 S   HC   _H26    94     1.09428   106.04686  -166.83694
   87    77 S   CA   _C13    52     1.34691   118.11671   179.76510
   88    87 S   HA   _H19    53     1.08430   121.68152   179.95577
   89    50 S   NP   _N4_    67     1.51968   109.65885   -50.20247
   90    89 S   H    _H4_    68     1.02527   105.90765   -64.69569
   91    82 S   CA   _C30    80     1.34651   118.92761  -179.58129
   92    91 S   HA   _H31    81     1.08478   121.28157   179.98022
   93    33 S   NT   _N6_    95     1.48270   112.69745    71.59512
   94    87 S   CA   _C14    54     1.46008   119.84538    -0.06853
   95    94 S   HA   _H20    55     1.08451   118.76857   179.61641
   96    89 S   CT   _C7_    69     1.50788   114.18509    52.94420
   97    96 S   HC   _H12    70     1.08967   107.41334   177.81519
   98    96 S   HC   _H13    71     1.09558   107.31481    62.99960
   99    91 S   CA   _C31    82     1.45855   120.54822     0.17246
  100    99 S   HA   _H32    83     1.08427   118.20249   179.93439
  101    94 S   CA   _C15    56     1.45746   122.40696     0.14537
  102   101 S   HA   _H21    57     1.08304   119.52408   179.74821
  103    99 S   CA   _C32    84     1.34680   120.48646    -0.10835
  104   103 S   HA   _H33    85     1.08551   121.13059  -179.97202
  105    69 S   C56A _C16    58     1.46299   109.29189    -0.43476
  106    73 S   C56A _C27    86     1.35726   106.40421     0.65760
  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   9   5   4   3
  18   7   2   1   1  17   8  20   9   9   2  14   6   5  18   8
   4  16   7  19   3   2   1   1  14  17   8   3   2   1  15   9
   3  15   9   3  12  10   5   4  12   8   5   4   7   4   7   4
   3   7   4   3   2   1   6   3   4   3   6   3   1   4   3   2
   1   1   4   3   2   1   2   1   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    52    84    93    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    52    58    74    84    85    86    93    59    42    43    49  
   38    39    40    52    84    93    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    50    96    47    48    52    84    93    42    43    49    53  
   40    41    44    47    93    42    43    49  
   41    44    45    46    50    51    57    89    96    97    98    47    48    52    58    93    59    42    43    49  
   44    45    46    50    96    47    48    52    42  
   43    49    53    54    55    56    44    47    93  
   49    53  
   45    46    50    51    57    63    64    79    89    90    96    47    48    52  
   46    50    51    57    89    47  
   50    51    57    89    47  
   48    52    58    66    67    84    93    59    60    61    62    50    79    89    90    96    97    98  
   52    58    93    59    89    96    97    98  
   53    54    55    56  
   51    57    63    69   105    64    65    70    79    80    81    89    90    96    97    98  
   57    63    64    79    89    90    96  
   58    66    73   106    67    68    74    84    85    86    93    59    60    61    62    89    96    97    98  
   54    55    56  
   55    56  
   56  
    0  
   63    69    77   101   105    64    65    70    71    72    79    89    90    96  
   66    73    82   103   106    67    68    74    75    76    84    93    59    60    61    62    96  
   60    61    62    66    67    84    93    96  
   61    62    93  
   62    93  
   93  
   69    77    78    87   101   105    64    65    70    71    72    79    80    81    89  
   65    70    89    69    77    94   101   102   105  
   69   101   105  
   73    82    83    91   103   106    67    68    74    75    76    84    85    86    93  
   68    74    93    73    82    99   103   104   106  
   73   103   106  
   77    78    87    88    94   101   102   105    70    71    72    79  
   71    72    79    80    81    89    90    96    77   105  
   72    79    80    81    89  
   79    80    81    89  
   82    83    91    92    99   103   104   106    74    75    76    84  
   75    76    84    85    86    93    82   106  
   76    84    85    86    93  
   84    85    86    93  
   78    87    88    94    95   101   105  
   87    88    94   105  
   80    81    89    90    96    97    98  
   81    89    90    96  
   89    90    96  
   83    91    92    99   100   103   106  
   91    92    99   106  
   85    86    93  
   86    93  
   93  
   88    94    95   101   102   105  
   94    95   101  
   90    96    97    98  
   96    97    98  
   92    99   100   103   104   106  
   99   100   103  
   96  
   95   101   102   105  
  101   102   105  
   97    98  
   98  
    0  
  100   103   104   106  
  103   104   106  
  102   105  
  105  
  104   106  
  106  
    0  
    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   0.317500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   65   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   68   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660  -0.064100   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   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   79   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   84   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   89   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   90   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   93   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   94   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   96   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   99   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
  101   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
  102   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
  103   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
  104   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
  105   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
  106   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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   382.000  1.448
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    57   295.000  1.489
   50    89   367.000  1.471
   57    63   520.000  1.370
   57    64   427.000  1.381
   63    69   380.000  1.440
   63    70   295.000  1.494
   69    77   469.000  1.404
   69   105   447.000  1.419
   77    78   367.000  1.080
   77    87   469.000  1.400
   87    88   367.000  1.080
   87    94   469.000  1.400
   94    95   367.000  1.080
   94   101   469.000  1.400
  101   102   367.000  1.080
  101   105   469.000  1.400
  105    64   428.000  1.380
   64    65   434.000  1.010
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    89   367.000  1.471
   89    90   434.000  1.010
   89    96   367.000  1.471
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    47   268.000  1.529
   47    48   340.000  1.090
   47    52   268.000  1.529
   52    58   295.000  1.489
   52    93   382.000  1.448
   52    59   268.000  1.529
   58    66   520.000  1.370
   58    67   427.000  1.381
   66    73   380.000  1.440
   66    74   295.000  1.494
   73    82   469.000  1.404
   73   106   447.000  1.419
   82    83   367.000  1.080
   82    91   469.000  1.400
   91    92   367.000  1.080
   91    99   469.000  1.400
   99   100   367.000  1.080
   99   103   469.000  1.400
  103   104   367.000  1.080
  103   106   469.000  1.400
  106    67   428.000  1.380
   67    68   434.000  1.010
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    93   382.000  1.448
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    85.00000  109.00000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    93    52    51.80000  107.20000
   33    93    84    51.80000  107.20000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    58.35000  112.70000
   40    47    96    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    52    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    57    70.00000  113.44400
   44    50    89    80.00000  111.20000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    57    63    55.00000  130.44200
   50    57    64    65.00000  122.56900
   50    89    79    75.00000  113.01200
   50    89    90    35.00000  109.50000
   50    89    96    75.00000  113.01200
   57    50    51    45.00000  110.47400
   57    63    69    80.00000  105.82900
   57    63    70    55.00000  127.77900
   57    64   105    90.00000  107.14200
   57    64    65    35.00000  120.00000
   63    69    77    50.00000  134.85500
   63    69   105    80.00000  107.43600
   63    70    71    45.00000  111.11700
   63    70    72    45.00000  111.11700
   63    70    79    70.00000  112.62400
   69    77    78    35.00000  120.00000
   69    77    87    63.00000  120.00000
   69   105   101    85.00000  122.70000
   69   105    64    70.00000  104.40000
   77    87    88    35.00000  120.00000
   77    87    94    63.00000  120.00000
   87    77    78    35.00000  120.00000
   87    94    95    35.00000  120.00000
   87    94   101    63.00000  120.00000
   94    87    88    35.00000  120.00000
   94   101   102    35.00000  120.00000
   94   101   105    85.00000  120.00000
  101    94    95    35.00000  120.00000
  101   105    64    70.00000  132.80000
  105    69    77    85.00000  116.20000
  105   101   102    35.00000  120.00000
  105    64    65    35.00000  123.10000
   64    57    63    70.00000  106.30000
   70    63    69    55.00000  128.73000
   70    79    80    37.50000  110.70000
   70    79    81    37.50000  110.70000
   70    79    89    80.00000  111.20000
   72    70    71    33.00000  107.80000
   79    70    71    37.50000  110.70000
   79    70    72    37.50000  110.70000
   79    89    90    35.00000  109.50000
   79    89    96    75.00000  113.01200
   81    79    80    33.00000  107.80000
   89    50    51    35.00000  109.50000
   89    50    57    75.00000  111.64000
   89    79    80    35.00000  109.50000
   89    79    81    35.00000  109.50000
   89    96    97    35.00000  109.50000
   89    96    98    35.00000  109.50000
   89    96    47    80.00000  111.20000
   96    89    90    35.00000  109.50000
   96    47    48    37.50000  110.70000
   96    47    52    58.35000  112.70000
   98    96    97    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    44    58.35000  112.70000
   47    96    97    37.50000  110.70000
   47    96    98    37.50000  110.70000
   47    52    58    70.00000  113.44400
   47    52    93    56.20000  109.47000
   47    52    59    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    58    66    55.00000  130.44200
   52    58    67    65.00000  122.56900
   52    93    84    51.80000  107.20000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   58    66    73    80.00000  105.82900
   58    66    74    55.00000  127.77900
   58    67   106    90.00000  107.14200
   58    67    68    35.00000  120.00000
   66    73    82    50.00000  134.85500
   66    73   106    80.00000  107.43600
   66    74    75    45.00000  111.11700
   66    74    76    45.00000  111.11700
   66    74    84    70.00000  112.62400
   73    82    83    35.00000  120.00000
   73    82    91    63.00000  120.00000
   73   106   103    85.00000  122.70000
   73   106    67    70.00000  104.40000
   82    91    92    35.00000  120.00000
   82    91    99    63.00000  120.00000
   91    82    83    35.00000  120.00000
   91    99   100    35.00000  120.00000
   91    99   103    63.00000  120.00000
   99    91    92    35.00000  120.00000
   99   103   104    35.00000  120.00000
   99   103   106    85.00000  120.00000
  103    99   100    35.00000  120.00000
  103   106    67    70.00000  132.80000
  106    73    82    85.00000  116.20000
  106   103   104    35.00000  120.00000
  106    67    68    35.00000  123.10000
   67    58    66    70.00000  106.30000
   74    66    73    55.00000  128.73000
   74    84    85    37.50000  110.70000
   74    84    86    37.50000  110.70000
   74    84    93    56.20000  109.47000
   76    74    75    33.00000  107.80000
   84    74    75    37.50000  110.70000
   84    74    76    37.50000  110.70000
   86    84    85    33.00000  107.80000
   93    33    34    35.00000  109.50000
   93    33    38    56.20000  109.47000
   93    52    58    75.00000  112.58000
   93    84    85    35.00000  109.50000
   93    84    86    35.00000  109.50000
   59    52    58    70.00000  113.44400
   59    52    93    56.20000  109.47000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    53    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
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   59    52    93    33   0.23450  1.0 1.0
   59    52    93    33   0.02050 -1.0 2.0
   59    52    93    33   0.25250  1.0 3.0
   59    52    93    84   0.23450  1.0 1.0
   59    52    93    84   0.02050 -1.0 2.0
   59    52    93    84   0.25250  1.0 3.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    47  -0.95700  1.0 1.0
   42    38    40    47  -0.18200 -1.0 2.0
   42    38    40    47   0.29450  1.0 3.0
   42    49    53    54   0.08050  1.0 3.0
   42    49    53    55   0.08050  1.0 3.0
   42    49    53    56   0.08050  1.0 3.0
   43    42    49    53   3.00000 -1.0 2.0
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
   63    64    57    50   4.00000 -1.0 2.0
   69    70    63    57   4.00000 -1.0 2.0
   77   105    69    63   4.00000 -1.0 2.0
   87    78    77    69   1.10000 -1.0 2.0
   94    88    87    77   1.10000 -1.0 2.0
  101    95    94    87   1.10000 -1.0 2.0
  105   102   101    94   1.10000 -1.0 2.0
  101    64   105    69   4.00000 -1.0 2.0
   65    57    64   105   1.00000 -1.0 2.0
   66    67    58    52   4.00000 -1.0 2.0
   73    74    66    58   4.00000 -1.0 2.0
   82   106    73    66   4.00000 -1.0 2.0
   91    83    82    73   1.10000 -1.0 2.0
   99    92    91    82   1.10000 -1.0 2.0
  103   100    99    91   1.10000 -1.0 2.0
  106   104   103    99   1.10000 -1.0 2.0
  103    67   106    73   4.00000 -1.0 2.0
   68    58    67   106   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
