* LIGAND DATABASE FILE (OPLS2005)
*
001     103   109    208    345     614
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02035   106.65758   -13.48739
    3     1 S   H    _H1_     3     1.02080    55.54342    88.10239
    4     1 S   H    _H2_     4     1.02134    56.57013  -115.16426
    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     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   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   _C16    36     1.89031    96.48640  -178.14660
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C17    37     1.51916   103.53223    59.99721
   38    37 S   HC   _H19    38     1.08421   118.60438    87.30587
   39    33 S   CT   _C15    60     1.60015   114.33306  -178.09649
   40    37 S   CM   _C18    39     1.34048   122.34510   -96.49015
   41    39 S   CT   _C19    61     1.56210   107.81552  -176.21405
   42    41 S   HC   _H21    62     1.07630   107.91917    59.80024
   43    41 S   HC   _H22    63     1.07690   107.96166   -60.23388
   44    41 S   HC   _H23    64     1.07658   107.93862   179.78511
   45    40 S   OS   _O34    40     1.37551   122.53876    -0.96591
   46    40 S   OH   _O35   102     1.37850   119.74860   176.20130
   47    46 S   HO   _H20   103     0.96232   109.83592    -0.01978
   48    45 S   CT   _C6_    41     1.43950   114.49062   -34.97050
   49    48 S   HC   _H4_    42     1.07812   105.56675   -69.73229
   50    33 S   C3T  _C7_    43     1.54378   106.03755   -57.35878
   51    48 S   CT   _C5_    73     1.52757   105.46163   176.48214
   52    51 S   HC   _H3_    74     1.09234   109.06248   175.37145
   53    50 S   C3T  _C8_    44     1.53125   118.01115   -98.14057
   54    53 S   HC   _H5_    45     1.08716   119.45488  -149.25154
   55    51 S   CT   _C4_    75     1.51763   111.61007    53.79470
   56    55 S   HC   _H16    76     1.09496   111.39744   -58.89446
   57    55 S   HC   _H17    77     1.09523   110.06113  -179.44999
   58    55 S   HC   _H18    78     1.09563   111.27244    62.47517
   59    51 S   OS1  _O40    79     1.42105   108.89624   -67.26167
   60    53 S   CT   _C9_    46     1.48793   123.18869     6.97418
   61    60 S   HC   _H6_    47     1.09371   108.20488   120.10120
   62    50 S   O3T  _O33    72     1.43645   117.27220   -32.46239
   63    59 S   CO1  _C22    80     1.42076   111.55166  -148.18937
   64    63 S   HC   _H11    81     1.09766   107.43617    60.03619
   65    60 S   CT   _C10    48     1.51774   115.44715    -5.77486
   66    65 S   HC   _H7_    49     1.10143   108.90388    90.05495
   67    63 S   CT   _C23    82     1.52918   107.84443   179.63150
   68    67 S   HC   _H12    83     1.09727   110.63932    51.35697
   69    65 S   CT   _C11    50     1.54849   102.76704  -155.55236
   70    67 S   CT   _C24    84     1.52862   111.32645   173.94291
   71    70 S   HC   _H13    85     1.09671   110.95161    74.80569
   72    67 S   OH5  _O45   100     1.42649   109.50785   -66.31916
   73    72 S   HO   _H33   101     0.96981   106.47978   -61.56255
   74    69 S   CO4  _C20    51     1.52275   101.10389    29.15197
   75    74 S   O    _O38    52     1.22219   126.17514   166.95282
   76    69 S   CT   _C12    54     1.55434   115.23021   154.56196
   77    76 S   HC   _H8_    55     1.09628   109.56541   136.16286
   78    69 S   CT   _C21    68     1.54676   109.69019   -82.99664
   79    78 S   HC   _H25    69     1.08284   108.83676   -71.36747
   80    78 S   HC   _H26    70     1.08233   108.89101   168.60046
   81    78 S   HC   _H27    71     1.08299   108.83819    48.54417
   82    70 S   CT   _C25    86     1.52887   111.23407   -48.58317
   83    82 S   HC   _H14    87     1.09831   108.91372   -72.56348
   84    70 S   OH5  _O44    98     1.42926   109.16343  -168.27350
   85    84 S   HO   _H32    99     0.96876   106.30694    61.35295
   86    60 S   OS   _O39    53     1.43758   110.53431  -123.63468
   87    76 S   C3T  _C13    56     1.50233   113.11852    17.64019
   88    87 S   HC   _H9_    57     1.08191   114.14078   116.24165
   89    76 S   OH   _O37    66     1.42667   113.12968  -107.40062
   90    89 S   HO   _H24    67     0.96890   106.45538   -52.94737
   91    82 S   CT   _C26    88     1.53071   110.79893    49.53701
   92    91 S   HC   _H15    89     1.09792   110.47950    64.80338
   93    82 S   OH5  _O43    96     1.42466   108.08131   170.66641
   94    93 S   HO   _H31    97     0.96957   106.52298   -60.01236
   95    87 S   C3T  _C14    58     1.50972   120.94179   -36.00364
   96    95 S   HC   _H10    59     1.07912   117.32063   151.41110
   97    63 S   OS1  _O41    90     1.42559   109.83062   -59.86516
   98    91 S   CT   _C27    91     1.52529   112.26601  -175.07650
   99    98 S   HC   _H28    92     1.09033   109.93786    60.04873
  100    98 S   HC   _H29    93     1.08942   109.95357   -60.86665
  101    87 S   O3T  _O36    65     1.43302   115.04484  -102.49311
  102    98 S   OH5  _O42    94     1.41552   108.56765   179.54072
  103   102 S   HO   _H30    95     0.97214   107.10775  -179.98022
  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  12   5   4   3
  25   2   1   1  13   5  23   7  12   4   3   2  11   2   1  14
   7  12  12   6   9   5   5   3   2   1   8  11   6   2  13   6
  16   6  12   7  15  13   7   4   1  10   3  13   7   6   2   1
   1  12   7   3   1   1   6   4   3   1   9   6   3   1   2   1
   4   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    50    53    65    95    39    41    62  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    48    49    50    53    54    60    65    66    69    87    95    96    39    41    42    43    44   101    62    51    46  
   35    36  
   36  
    0  
   38    40    45    48    50    53    65    95    39    41    62    46    47  
   40    45    50    39    46  
   41    42    43    44   101    78    62    40    48    50    53    60    61    65    66    69    74    76    86    87    88    95    96  
   45    48    49    50    51    46    47  
   42    43    44   101    50    60    65    66    69    87    95    96  
   43    44    65    95  
   44    65    95  
   65    95  
   48    49    50    53    62    51    52    55    59    46    47  
   47    48  
    0  
   49    50    53    54    60    62    51    52    55    56    57    58    59    63  
   50    53    62    51    52    55    59  
   53    54    60    61    65    86    95    62    51    52    55    59  
   52    55    56    57    58    59    63    64    67    97    53    62  
   55    56    57    58    59    63  
   54    60    61    65    66    69    74    86    62  
   60    61    65    86    62  
   56    57    58    59    63  
   57    58    59  
   58    59  
   59  
   63    64    67    68    70    91    97    72  
   61    65    66    69    74    75    86    76    95    78    62  
   65    66    69    74    86    62  
   65    86  
   64    67    68    70    71    82    91    92    97    98    84    72    73  
   67    68    70    91    97    72  
   66    69    74    75    86    76    77    87    95    96   101    89    78    79    80    81  
   69    74    86    76    95    78  
   68    70    71    82    83    91    97    93    84    85    72    73  
   70    71    82    97    84    72    73  
   74    75    86    76    77    87    88    95   101    89    90    78    79    80    81  
   71    82    83    91    92    97    98    93    94    84    85    72    73  
   82    83    91    93    84    85    72  
   73    82    84    97  
    0  
   75    86    76    77    87    89    78    79    80    81  
   86    76    78  
   77    87    88    95    96   101    89    90    78    79    80    81    86  
   87    88    95   101    89    90    78  
   79    80    81    86    87    89  
   80    81  
   81  
    0  
   83    91    92    97    98    99   100   102    93    94    84    85  
   91    92    97    98    93    94    84  
   85    91    93  
    0  
    0  
   88    95    96   101    89    90  
   95    96   101    89  
   90    95   101  
    0  
   92    97    98    99   100   102   103    93    94  
   97    98    99   100   102    93  
   94    97    98  
    0  
   96   101  
  101  
   98    99   100   102  
   99   100   102   103  
  100   102   103  
  102   103  
    0  
  103  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   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   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
  102   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    50   275.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    40   549.000  1.340
   40    45   440.000  1.360
   40    46   510.000  1.338
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    50   275.000  1.510
   48    51   268.000  1.529
   50    53   260.000  1.509
   50    62   335.000  1.432
   53    54   340.000  1.088
   53    60   275.000  1.510
   53    62   335.000  1.432
   60    61   340.000  1.090
   60    65   268.000  1.529
   60    86   320.000  1.410
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    39   268.000  1.529
   69    74   317.000  1.522
   69    76   268.000  1.529
   69    78   268.000  1.529
   74    75   570.000  1.229
   74    86   214.000  1.327
   76    77   340.000  1.090
   76    87   275.000  1.510
   76    89   320.000  1.410
   87    88   340.000  1.088
   87    95   260.000  1.509
   87   101   335.000  1.432
   95    96   340.000  1.088
   95    39   275.000  1.510
   95   101   335.000  1.432
   39    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   89    90   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    59   335.000  1.422
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    63   370.000  1.399
   63    64   360.000  1.097
   63    67   255.000  1.525
   63    97   370.000  1.399
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    72   355.000  1.421
   70    71   340.000  1.090
   70    82   268.000  1.529
   70    84   355.000  1.421
   82    83   340.000  1.090
   82    91   268.000  1.529
   82    93   355.000  1.421
   91    92   340.000  1.090
   91    97   335.000  1.422
   91    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   102   355.000  1.421
  102   103   580.000  0.967
   93    94   580.000  0.967
   84    85   580.000  0.967
   72    73   580.000  0.967
   46    47   553.000  0.945
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  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    50    48    58.35000  112.70000
   33    50    53    60.00000  120.94000
   33    50    62    80.00000  116.47100
   33    39    65    58.35000  112.70000
   33    39    95    70.00000  112.37300
   33    39    41    58.35000  112.70000
   37    40    45    80.00000  120.01400
   37    40    46    80.00000  121.38400
   40    37    38    35.00000  120.00000
   40    45    48    90.00000  111.18400
   40    46    47    70.00000  107.45700
   45    48    49    35.00000  109.50000
   45    48    50    50.00000  109.50000
   45    48    51    50.00000  109.50000
   48    50    53    60.00000  120.94000
   48    50    62    80.00000  116.47100
   48    51    52    37.50000  110.70000
   48    51    55    58.35000  112.70000
   48    51    59    95.00000  107.88500
   50    33    37    70.00000  112.02700
   50    48    49    45.00000  109.38400
   50    53    54    37.50000  117.20000
   50    53    60    60.00000  120.94000
   50    53    62    15.00000   60.43100
   50    62    53    15.00000   59.14900
   53    60    61    45.00000  109.38400
   53    60    65    70.00000  112.37300
   53    60    86    50.00000  109.50000
   60    53    54    40.00000  115.04500
   60    65    66    37.50000  110.70000
   60    65    69    58.35000  112.70000
   60    65    39    58.35000  112.70000
   60    86    74    83.00000  116.90000
   65    60    61    37.50000  110.70000
   65    69    74    63.00000  111.10000
   65    69    76    58.35000  112.70000
   65    69    78    58.35000  112.70000
   65    39    95    70.00000  112.37300
   65    39    41    58.35000  112.70000
   69    65    66    37.50000  110.70000
   69    74    75    80.00000  120.40000
   69    74    86    81.00000  111.40000
   69    76    77    37.50000  110.70000
   69    76    87    70.00000  112.37300
   69    76    89    50.00000  109.50000
   69    78    79    37.50000  110.70000
   69    78    80    37.50000  110.70000
   69    78    81    37.50000  110.70000
   86    60    61    35.00000  109.50000
   86    60    65    50.00000  109.50000
   86    74    75    83.00000  123.40000
   76    69    74    63.00000  111.10000
   76    87    88    40.00000  115.04500
   76    87    95    60.00000  120.94000
   76    87   101    80.00000  116.47100
   76    89    90    55.00000  108.50000
   87    76    77    45.00000  109.38400
   87    95    96    37.50000  117.20000
   87    95    39    60.00000  120.94000
   87    95   101    15.00000   60.43100
   87   101    95    15.00000   59.14900
   95    87    88    37.50000  117.20000
   95    39    41    70.00000  112.37300
   39    33    37    70.00000  112.02700
   39    33    50    70.00000  112.37300
   39    65    66    37.50000  110.70000
   39    65    69    58.35000  112.70000
   39    95    96    40.00000  115.04500
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    44    37.50000  110.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
  101    87    88    50.00000  114.27700
  101    87    95    15.00000   60.43100
  101    95    96    50.00000  114.27700
  101    95    39    80.00000  116.47100
   89    76    77    35.00000  109.50000
   89    76    87    50.00000  109.50000
   78    69    74    63.00000  111.10000
   78    69    76    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   62    50    53    15.00000   60.43100
   62    53    54    50.00000  114.27700
   62    53    60    80.00000  116.47100
   51    48    49    37.50000  110.70000
   51    48    50    70.00000  112.37300
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   51    59    63    90.00000  112.10700
   55    51    52    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    51    52    55.00000  108.98800
   59    51    55    95.00000  107.88500
   59    63    64    60.00000  105.75400
   59    63    67    90.00000  109.70700
   59    63    97   110.00000  113.16000
   63    67    68    45.00000  109.54000
   63    67    70    70.00000  111.10000
   63    67    72    90.00000  109.42000
   63    97    91    90.00000  112.10700
   67    63    64    45.00000  111.65000
   67    70    71    37.50000  110.70000
   67    70    82    58.35000  112.70000
   67    70    84    90.00000  111.45300
   67    72    73    65.00000  108.53500
   70    67    68    37.50000  110.70000
   70    82    83    37.50000  110.70000
   70    82    91    58.35000  112.70000
   70    82    93    90.00000  111.45300
   70    84    85    65.00000  108.53500
   82    70    71    37.50000  110.70000
   82    91    92    37.50000  110.70000
   82    91    97    95.00000  107.88500
   82    91    98    58.35000  112.70000
   82    93    94    65.00000  108.53500
   91    82    83    37.50000  110.70000
   91    98    99    37.50000  110.70000
   91    98   100    37.50000  110.70000
   91    98   102    90.00000  111.45300
   97    63    64    60.00000  105.75400
   97    63    67    90.00000  109.70700
   97    91    92    55.00000  108.98800
   98    91    92    37.50000  110.70000
   98    91    97    95.00000  107.88500
   98   102   103    65.00000  108.53500
  100    98    99    33.00000  107.80000
  102    98    99    60.00000  109.39000
  102    98   100    60.00000  109.39000
   93    82    83    60.00000  109.39000
   93    82    91    90.00000  111.45300
   84    70    71    60.00000  109.39000
   84    70    82    90.00000  111.45300
   72    67    68    60.00000  109.39000
   72    67    70    90.00000  111.45300
   46    40    45   115.00000  116.36000
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
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
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   78    69    76    87   0.20100  1.0 3.0
   78    69    76    89   0.86500  1.0 1.0
   78    69    76    89  -0.17500 -1.0 2.0
   78    69    76    89   0.20800  1.0 3.0
   62    50   -53    54   0.23400  1.0 3.0
   62    50   -53    60   0.02550  1.0 1.0
   62    50   -53    60  -0.02600 -1.0 2.0
   62    50   -53    60   1.20400  1.0 3.0
   62    53    60    61   0.23400  1.0 3.0
   62    53    60    65   0.02550  1.0 1.0
   62    53    60    65  -0.02600 -1.0 2.0
   62    53    60    65   1.20400  1.0 3.0
   62    53    60    86   1.11900  1.0 1.0
   62    53    60    86  -1.16350 -1.0 2.0
   62    53    60    86  -0.34150  1.0 3.0
   51    48    50    33   0.56750  1.0 1.0
   51    48    50    33  -0.07550 -1.0 2.0
   51    48    50    33   0.20000  1.0 3.0
   51    48    50    53   0.07850  1.0 1.0
   51    48    50    53  -0.03950 -1.0 2.0
   51    48    50    53   0.67350  1.0 3.0
   51    48    50    62   0.02550  1.0 1.0
   51    48    50    62  -0.02600 -1.0 2.0
   51    48    50    62   1.20400  1.0 3.0
   51    59    63    64   0.37050  1.0 3.0
   51    59    63    67   0.06250  1.0 1.0
   51    59    63    67  -0.01100 -1.0 2.0
   51    59    63    67   0.28050  1.0 3.0
   51    59    63    97  -0.12700  1.0 1.0
   51    59    63    97  -1.16200 -1.0 2.0
   51    59    63    97   0.58800  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   52    51    59    63   0.37050  1.0 3.0
   55    51    59    63   0.06250  1.0 1.0
   55    51    59    63  -0.01100 -1.0 2.0
   55    51    59    63   0.28050  1.0 3.0
   59    51    55    56   0.23400  1.0 3.0
   59    51    55    57   0.23400  1.0 3.0
   59    51    55    58   0.23400  1.0 3.0
   59    63    67    68   0.23400  1.0 3.0
   59    63    67    70   0.62750  1.0 1.0
   59    63    67    70  -0.30950 -1.0 2.0
   59    63    67    70   0.27300  1.0 3.0
   59    63    67    72   1.51850  1.0 1.0
   59    63    97    91  -0.70400  1.0 1.0
   59    63    97    91  -0.90350 -1.0 2.0
   63    67    70    71   0.15000  1.0 3.0
   63    67    70    82   0.56750  1.0 1.0
   63    67    70    82  -0.07550 -1.0 2.0
   63    67    70    82   0.20000  1.0 3.0
   63    67    70    84  -0.47750  1.0 1.0
   63    67    72    73   0.29150  1.0 1.0
   63    67    72    73  -0.28350 -1.0 2.0
   63    67    72    73   0.43600  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   64    63    67    72   0.23400  1.0 3.0
   64    63    97    91   0.37050  1.0 3.0
   67    63    97    91   0.06250  1.0 1.0
   67    63    97    91  -0.01100 -1.0 2.0
   67    63    97    91   0.28050  1.0 3.0
   67    70    82    83   0.15000  1.0 3.0
   67    70   -82    91   0.56750  1.0 1.0
   67    70   -82    91  -0.07550 -1.0 2.0
   67    70   -82    91   0.20000  1.0 3.0
   67    70    82    93  -0.47750  1.0 1.0
   67    70    84    85   0.29150  1.0 1.0
   67    70    84    85  -0.28350 -1.0 2.0
   67    70    84    85   0.43600  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    82   0.15000  1.0 3.0
   68    67    70    84   0.23400  1.0 3.0
   68    67    72    73   0.19450  1.0 3.0
   70    67    72    73   0.29150  1.0 1.0
   70    67    72    73  -0.28350 -1.0 2.0
   70    67    72    73   0.43600  1.0 3.0
   70    82    91    92   0.15000  1.0 3.0
   70    82    91    97   0.62750  1.0 1.0
   70    82    91    97  -0.30950 -1.0 2.0
   70    82    91    97   0.27300  1.0 3.0
   70    82    91    98   0.56750  1.0 1.0
   70    82    91    98  -0.07550 -1.0 2.0
   70    82    91    98   0.20000  1.0 3.0
   70    82    93    94   0.29150  1.0 1.0
   70    82    93    94  -0.28350 -1.0 2.0
   70    82    93    94   0.43600  1.0 3.0
   71    70    82    83   0.15000  1.0 3.0
   71    70    82    91   0.15000  1.0 3.0
   71    70    82    93   0.23400  1.0 3.0
   71    70    84    85   0.19450  1.0 3.0
   82    70    84    85   0.29150  1.0 1.0
   82    70    84    85  -0.28350 -1.0 2.0
   82    70    84    85   0.43600  1.0 3.0
   82    91   -97    63   0.06250  1.0 1.0
   82    91   -97    63  -0.01100 -1.0 2.0
   82    91   -97    63   0.28050  1.0 3.0
   82    91    98    99   0.15000  1.0 3.0
   82    91    98   100   0.15000  1.0 3.0
   82    91    98   102  -0.47750  1.0 1.0
   83    82    91    92   0.15000  1.0 3.0
   83    82    91    97   0.23400  1.0 3.0
   83    82    91    98   0.15000  1.0 3.0
   83    82    93    94   0.19450  1.0 3.0
   91    82    93    94   0.29150  1.0 1.0
   91    82    93    94  -0.28350 -1.0 2.0
   91    82    93    94   0.43600  1.0 3.0
   91    98   102   103   0.29150  1.0 1.0
   91    98   102   103  -0.28350 -1.0 2.0
   91    98   102   103   0.43600  1.0 3.0
   92    91    97    63   0.37050  1.0 3.0
   92    91    98    99   0.15000  1.0 3.0
   92    91    98   100   0.15000  1.0 3.0
   92    91    98   102   0.23400  1.0 3.0
   97    63    67    68   0.23400  1.0 3.0
   97    63   -67    70   0.62750  1.0 1.0
   97    63   -67    70  -0.30950 -1.0 2.0
   97    63   -67    70   0.27300  1.0 3.0
   97    63    67    72   1.51850  1.0 1.0
   97    91    98    99   0.23400  1.0 3.0
   97    91    98   100   0.23400  1.0 3.0
   97    91    98   102   1.51850  1.0 1.0
   98    91    97    63   0.06250  1.0 1.0
   98    91    97    63  -0.01100 -1.0 2.0
   98    91    97    63   0.28050  1.0 3.0
   99    98   102   103   0.19450  1.0 3.0
  100    98   102   103   0.19450  1.0 3.0
   93    82    91    92   0.23400  1.0 3.0
   93    82    91    97   1.51850  1.0 1.0
   93    82    91    98  -0.47750  1.0 1.0
   84    70    82    83   0.23400  1.0 3.0
   84    70    82    91  -0.47750  1.0 1.0
   84    70    82    93   3.77950  1.0 1.0
   72    67    70    71   0.23400  1.0 3.0
   72    67    70    82  -0.47750  1.0 1.0
   72    67    70    84   3.77950  1.0 1.0
   46    40    45    48   2.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   45    46    40    37   1.10000 -1.0 2.0
   69    86    74    75  10.50000 -1.0 2.0
END
