* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    206    336     622
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02014   106.23364    -5.65108
    3     1 S   H    _H1_     3     1.02159    50.94647    95.48902
    4     1 S   H    _H2_     4     1.02102    61.31618  -108.40481
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10104
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C17    36     1.84337    97.49149   159.98257
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CT   _C18    37     1.53286   107.62835    59.99902
   38    37 S   HC   _H20    38     1.09619   111.75390   -63.36695
   39    37 S   HC   _H21    39     1.09541   111.10125    55.69759
   40    37 S   HC   _H22    40     1.09663   111.66701   175.53200
   41    33 S   CT   _C19    41     1.53326   107.25984   178.61534
   42    41 S   HC   _H23    42     1.09603   111.75325    63.05977
   43    41 S   HC   _H24    43     1.09722   111.71438   -58.05559
   44    41 S   HC   _H25    44     1.09517   111.17629  -176.99228
   45    33 S   CT   _C16    45     1.53948   107.30770   -60.89248
   46    45 S   HC   _H18    46     1.09883   111.21465   -41.68819
   47    45 S   HC   _H19    47     1.09838   111.36512    75.76121
   48    45 S   CO4  _C15    48     1.51306   113.80993  -161.99005
   49    48 S   O    _O37    49     1.22413   123.87383   -57.11168
   50    48 S   OS   _O36    50     1.36952   110.55223   123.44635
   51    50 S   CT   _C13    51     1.41875   116.00314   179.39026
   52    51 S   HC   _H6_    52     1.09137   107.51794   -29.95445
   53    51 S   CO4  _C14    53     1.51387   108.71637    85.39518
   54    53 S   O    _O34    54     1.22750   122.33588   -28.28015
   55    51 S   CT   _C12    78     1.51170   109.25208  -153.73429
   56    55 S   HC   _H5_    79     1.10559   105.85669   -55.46883
   57    53 S   OS   _O35    55     1.35728   116.06116   157.17812
   58    59 S   CT   _C9_    80     1.52778   112.56992    37.23112
   59    57 S   CT   _C8_    56     1.46440   124.25351   -30.60419
   60    59 S   HC   _H4_    57     1.09745   105.21283   -83.25742
   61    58 S   CT   _C10    81     1.53737   115.44725  -154.92124
   62    61 S   HC   _H16    82     1.08825   115.77339   -91.32365
   63    61 S   HC   _H17    83     1.09604   112.05920    32.50442
   64    59 S   CT   _C7_    58     1.52890   106.12328   162.46637
   65    64 S   HC   _H14    59     1.09345   110.55237   166.05224
   66    64 S   HC   _H15    60     1.09523   107.27744    50.09188
   67    96 S   OS   _O33    84     1.45132   107.71714   -55.86052
   68    64 S   CT   _C6_    61     1.54083   111.17932   -69.89463
   69    68 S   HC   _H3_    62     1.10202   106.77204    54.32411
   70    68 S   CT   _C5_    63     1.54836   113.81973   170.29038
   71    70 S   HC   _H13    64     1.09532   110.73211    64.62081
   72    70 S   CO4  _C26    65     1.53112   109.57623  -177.41843
   73    72 S   O    _O38    66     1.23057   122.21472   154.02097
   74    70 S   CT   _C4_   102     1.53361   112.81448   -55.68842
   75    74 S   HC   _H10   103     1.08609   109.48697   -57.75913
   76    74 S   HC   _H11   104     1.08744   109.48864  -177.74198
   77    74 S   HC   _H12   105     1.08692   109.49953    62.29470
   78    72 S   CM   _C25    67     1.48939   118.81401   -28.84896
   79    78 S   CM   _C24    68     1.33880   120.74494     0.43024
   80    79 S   HC   _H26    69     1.08749   117.08725  -175.85943
   81    78 S   OH   _O39   100     1.37911   118.35434  -177.46017
   82    81 S   HO   _H27   101     0.96267   109.90581    -2.09751
   83    68 S   CT   _C23    70     1.57086   110.78475   -61.96745
   84    83 S   CT   _C22    71     1.59341   107.19231    59.96661
   85    84 S   HC   _H9_    72     1.09868   103.18847    61.03323
   86    83 S   CT   _C27    96     1.54714   111.08392   -66.60615
   87    86 S   HC   _H28    97     1.08283   108.81848    63.77820
   88    86 S   HC   _H29    98     1.08251   108.85933   -56.16865
   89    86 S   HC   _H30    99     1.08186   108.84488  -176.20899
   90    84 S   CT   _C21    73     1.56758   116.99645   173.80242
   91    90 S   HC   _H8_    74     1.09594   108.78455   -65.74206
   92    90 S   CT   _C20    75     1.54545   113.04131   173.52461
   93    92 S   HC   _H7_    76     1.09783   108.69552  -159.34809
   94    90 S   OH   _O40    94     1.42294   111.42645    51.87859
   95    94 S   HO   _H31    95     0.96970   106.65281   180.00000
   96    92 S   CT   _C11    77     1.53500   111.67327   -38.49976
   97    92 S   OH   _O41    92     1.42374   108.68347    84.64191
   98    97 S   HO   _H32    93     0.96980   106.59536    60.00099
   99    96 S   CO4  _C28    85     1.49867   112.84639  -169.93569
  100    99 S   O    _O42    86     1.22393   124.04288   136.84536
  101    99 S   OS   _O43    87     1.36295   109.53302   -43.05711
  102   101 S   CT   _C29    88     1.43177   115.42098   179.96044
  103   102 S   HC   _H33    89     1.09286   109.49435   179.97202
  104   102 S   HC   _H34    90     1.09239   109.50765    59.24559
  105   102 S   HC   _H35    91     1.09225   108.99220   -60.47430
  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  13   5   4   3
  14   2   1   1  11   4   3   2   7   3   2   1   6   4   3   6
   2   9  14   7   9   3  21   8   9  21  16   6  11   4   3  12
   5   4   9  20   8  13   8  11   4   5   2   1   1   7  11   4
   2   1  10  13   5   4   2   1   1   9   6   9   5   3   1   6
   2   1   6   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51  
   47    48    49    50  
   48    49    50  
   49    50    51    52    53    55  
   50    51  
   51    52    53    54    57    96    55    56    58  
   52    53    54    57    59    84    92    96    55    56    58    61    67    99  
   53    54    57    96    55    56    58  
   54    57    59    60    64    96    55    56    58  
   57    59    55  
   56    58    61    62    63    67    99   100   101    97    57    59    60    64    83    84    85    90    92    93    96  
   58    61    67    99    59    84    92    96  
   59    60    64    65    66    68    84    58    61  
   61    62    63    67    99    94    86    59    60    64    65    66    68    79    83    84    85    90    91    92    96  
   60    64    65    66    68    69    70    83    84    85    90    96    61    62    63    67  
   64    65    66    68    84    61  
   62    63    67    99    64    83    84    85    90    92    96  
   63    67    84    96  
   67    84    96  
   65    66    68    69    70    71    72    79    83    84    86    74  
   66    68    69    70    83  
   68    69    70    83  
   99   100   101    97    84    90    92    93    96  
   69    70    71    72    73    78    79    80    83    84    85    90    86    87    88    89    74    75    76    77  
   70    71    72    79    83    84    86    74  
   71    72    73    78    79    83    84    86    81    74    75    76    77  
   72    73    78    83    74    75    76    77  
   73    78    79    80    83    81    82    74    75    76    77  
   78    79    81    74  
   75    76    77    78    83  
   76    77  
   77  
    0  
   79    80    83    84    86    81    82  
   80    83    84    85    90    86    87    88    89    81    82  
   83    84    86    81  
   82    83  
    0  
   84    85    90    91    92    94    86    87    88    89  
   85    90    91    92    93    96    97    94    95    86    87    88    89  
   90    91    92    94    86  
   87    88    89    90  
   88    89  
   89  
    0  
   91    92    93    96    99    97    98    94    95  
   92    93    96    97    94    95  
   93    96    99   100   101    97    98    94    95  
   96    99    97    98    94  
   95    96    97  
    0  
   99   100   101   102    97    98  
   98    99  
    0  
  100   101   102   103   104   105  
  101   102  
  102   103   104   105  
  103   104   105  
  104   105  
  105  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  101   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  102   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  104   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  105   2.4200   0.0150   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.522
   51    55   268.000  1.529
   53    54   570.000  1.229
   53    57   214.000  1.327
   57    59   320.000  1.410
   59    60   340.000  1.090
   59    64   268.000  1.529
   59    58   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    83   268.000  1.529
   70    71   340.000  1.090
   70    72   317.000  1.522
   70    74   268.000  1.529
   72    73   570.000  1.229
   72    78   320.000  1.462
   78    79   549.000  1.340
   78    81   510.000  1.338
   79    80   340.000  1.080
   79    83   317.000  1.510
   83    84   268.000  1.529
   83    86   268.000  1.529
   84    85   340.000  1.090
   84    90   268.000  1.529
   84    58   268.000  1.529
   90    91   340.000  1.090
   90    92   268.000  1.529
   90    94   320.000  1.410
   92    93   340.000  1.090
   92    96   268.000  1.529
   92    97   320.000  1.410
   96    55   268.000  1.529
   96    67   320.000  1.410
   96    99   317.000  1.522
   55    56   340.000  1.090
   55    58   268.000  1.529
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   320.000  1.410
   99   100   570.000  1.229
   99   101   214.000  1.327
  101   102   320.000  1.410
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   97    98   553.000  0.945
   94    95   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   81    82   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    37.50000  110.70000
   33    45    48    63.00000  111.10000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    80.00000  120.40000
   45    48    50    81.00000  111.40000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    83.00000  116.90000
   50    48    49    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    90.00000  108.74100
   50    51    55    50.00000  109.50000
   51    53    54    80.00000  120.40000
   51    53    57    81.00000  111.40000
   51    55    96    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    58    58.35000  112.70000
   53    51    52    35.00000  109.50000
   53    57    59    83.00000  116.90000
   57    53    54    83.00000  123.40000
   57    59    60    35.00000  109.50000
   57    59    64    50.00000  109.50000
   57    59    58    50.00000  109.50000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    68    58.35000  112.70000
   59    58    84    58.35000  112.70000
   59    58    55    58.35000  112.70000
   59    58    61    58.35000  112.70000
   64    59    60    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    70    58.35000  112.70000
   64    68    83    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    63.00000  111.10000
   68    70    74    58.35000  112.70000
   68    83    79    70.00000  112.02700
   68    83    84    58.35000  112.70000
   68    83    86    58.35000  112.70000
   70    68    69    37.50000  110.70000
   70    72    73    80.00000  120.40000
   70    72    78    65.00000  118.62400
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    77    37.50000  110.70000
   72    70    71    35.00000  109.50000
   72    78    79    65.00000  118.96000
   72    78    81    85.00000  116.28000
   78    72    73    80.00000  123.72100
   78    79    80    35.00000  120.00000
   78    79    83    70.00000  124.00000
   78    81    82    70.00000  107.45700
   79    83    84    70.00000  112.02700
   79    83    86    70.00000  112.02700
   83    68    69    37.50000  110.70000
   83    68    70    58.35000  112.70000
   83    79    80    35.00000  117.00000
   83    84    85    37.50000  110.70000
   83    84    90    58.35000  112.70000
   83    84    58    58.35000  112.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   84    90    91    37.50000  110.70000
   84    90    92    58.35000  112.70000
   84    90    94    50.00000  109.50000
   84    58    55    58.35000  112.70000
   84    58    61    58.35000  112.70000
   90    84    85    37.50000  110.70000
   90    92    93    37.50000  110.70000
   90    92    96    58.35000  112.70000
   90    92    97    50.00000  109.50000
   90    94    95    55.00000  108.50000
   92    90    91    37.50000  110.70000
   92    96    55    58.35000  112.70000
   92    96    67    50.00000  109.50000
   92    96    99    63.00000  111.10000
   92    97    98    55.00000  108.50000
   96    92    93    37.50000  110.70000
   96    55    56    37.50000  110.70000
   96    55    58    58.35000  112.70000
   96    67    61    60.00000  109.50000
   96    99   100    80.00000  120.40000
   96    99   101    81.00000  111.40000
   55    51    52    37.50000  110.70000
   55    51    53    63.00000  111.10000
   55    58    61    58.35000  112.70000
   58    59    60    37.50000  110.70000
   58    59    64    58.35000  112.70000
   58    84    85    37.50000  110.70000
   58    84    90    58.35000  112.70000
   58    55    56    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    67    50.00000  109.50000
   63    61    62    33.00000  107.80000
   67    96    55    50.00000  109.50000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   99    96    55    63.00000  111.10000
   99    96    67    90.00000  108.74100
   99   101   102    83.00000  116.90000
  101    99   100    83.00000  123.40000
  101   102   103    35.00000  109.50000
  101   102   104    35.00000  109.50000
  101   102   105    35.00000  109.50000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   97    92    93    35.00000  109.50000
   97    92    96    50.00000  109.50000
   94    90    91    35.00000  109.50000
   94    90    92    50.00000  109.50000
   86    83    84    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   81    78    79    80.00000  121.38400
   74    70    71    37.50000  110.70000
   74    70    72    63.00000  111.10000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    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
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
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   96    55   -58    84   0.56750  1.0 1.0
   96    55   -58    84  -0.07550 -1.0 2.0
   96    55   -58    84   0.20000  1.0 3.0
   96    55   -58    61   0.56750  1.0 1.0
   96    55   -58    61  -0.07550 -1.0 2.0
   96    55   -58    61   0.20000  1.0 3.0
   96    99   101   102   1.63150  1.0 1.0
   96    99   101   102   2.92000 -1.0 2.0
   55    51    53    54   0.30150 -1.0 2.0
   55    51   -53    57   0.36750  1.0 3.0
   55    96   -67    61   0.06250  1.0 1.0
   55    96   -67    61  -0.01100 -1.0 2.0
   55    96   -67    61   0.28050  1.0 3.0
   55    96    99   100   0.30150 -1.0 2.0
   55    96    99   101   0.36750  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58    61    63   0.15000  1.0 3.0
   55    58   -61    67   0.62750  1.0 1.0
   55    58   -61    67  -0.30950 -1.0 2.0
   55    58   -61    67   0.27300  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    84   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   58    59    64    65   0.15000  1.0 3.0
   58    59    64    66   0.15000  1.0 3.0
   58    59   -64    68   0.56750  1.0 1.0
   58    59   -64    68  -0.07550 -1.0 2.0
   58    59   -64    68   0.20000  1.0 3.0
   58    84    90    91   0.15000  1.0 3.0
   58    84   -90    92   0.56750  1.0 1.0
   58    84   -90    92  -0.07550 -1.0 2.0
   58    84   -90    92   0.20000  1.0 3.0
   58    84    90    94   0.86500  1.0 1.0
   58    84    90    94  -0.17500 -1.0 2.0
   58    84    90    94   0.20800  1.0 3.0
   58    61   -67    96   0.06250  1.0 1.0
   58    61   -67    96  -0.01100 -1.0 2.0
   58    61   -67    96   0.28050  1.0 3.0
   62    61    67    96   0.37050  1.0 3.0
   63    61    67    96   0.37050  1.0 3.0
   67    96    55    51   0.62750  1.0 1.0
   67    96    55    51  -0.30950 -1.0 2.0
   67    96    55    51   0.27300  1.0 3.0
   67    96    55    56   0.23400  1.0 3.0
   67    96   -55    58   0.62750  1.0 1.0
   67    96   -55    58  -0.30950 -1.0 2.0
   67    96   -55    58   0.27300  1.0 3.0
   67    96    99   100   0.30150 -1.0 2.0
   67    96    99   101   0.40000  1.0 3.0
   99    96    55    51  -0.95700  1.0 1.0
   99    96    55    51  -0.18200 -1.0 2.0
   99    96    55    51   0.29450  1.0 3.0
   99    96    55    56  -0.11250  1.0 3.0
   99    96    55    58  -0.95700  1.0 1.0
   99    96    55    58  -0.18200 -1.0 2.0
   99    96    55    58   0.29450  1.0 3.0
   99    96    67    61  -1.11000  1.0 1.0
   99    96    67    61   0.50250 -1.0 2.0
   99    96    67    61   0.47450  1.0 3.0
   99   101   102   103   0.08050  1.0 3.0
   99   101   102   104   0.08050  1.0 3.0
   99   101   102   105   0.08050  1.0 3.0
  100    99   101   102   3.00000 -1.0 2.0
   97    92    96    55   0.86500  1.0 1.0
   97    92    96    55  -0.17500 -1.0 2.0
   97    92    96    55   0.20800  1.0 3.0
   97    92    96    67   3.69350  1.0 1.0
   97    92    96    67  -1.82950 -1.0 2.0
   97    92    96    99  -0.09450  1.0 1.0
   97    92    96    99  -1.12950 -1.0 2.0
   97    92    96    99   0.54000  1.0 3.0
   94    90    92    93   0.23400  1.0 3.0
   94    90    92    96   0.86500  1.0 1.0
   94    90    92    96  -0.17500 -1.0 2.0
   94    90    92    96   0.20800  1.0 3.0
   94    90    92    97   3.75450  1.0 1.0
   86    83    84    85   0.15000  1.0 3.0
   86    83    84    90   0.56750  1.0 1.0
   86    83    84    90  -0.07550 -1.0 2.0
   86    83    84    90   0.20000  1.0 3.0
   86    83    84    58   0.56750  1.0 1.0
   86    83    84    58  -0.07550 -1.0 2.0
   86    83    84    58   0.20000  1.0 3.0
   81    78    79    80   7.00000 -1.0 2.0
   81    78    79    83   7.00000 -1.0 2.0
   74    70    72    73   0.30150 -1.0 2.0
   74    70    72    78   0.65300  1.0 1.0
   74    70    72    78  -0.03850 -1.0 2.0
   74    70    72    78   0.33900  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   45    50    48    49  10.50000 -1.0 2.0
   51    57    53    54  10.50000 -1.0 2.0
   70    78    72    73  10.50000 -1.0 2.0
   72    81    78    79   1.10000 -1.0 2.0
   83    80    79    78   1.10000 -1.0 2.0
   96   101    99   100  10.50000 -1.0 2.0
END
