* LIGAND DATABASE FILE (OPLS2005)
*
001     108   110    192    295     562
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02020   106.60005   -11.57473
    3     1 S   H    _H1_     3     1.02102    54.44352    89.83301
    4     1 S   H    _H2_     4     1.02109    57.71150  -113.53880
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C24    36     1.86218    96.84348  -178.12560
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   _C18    37     1.53115   106.27900   -80.05171
   38    33 S   OH   _O39   107     1.43231   108.25628    36.77610
   39    38 S   HO   _H74   108     0.96789   106.14480    64.88868
   40    37 S   CMA  _C17    38     1.36096   121.58695   -93.61822
   41    40 S   OM   _O33    39     1.26231   130.12614  -177.36129
   42    37 S   CT   _C32    65     1.51570   116.32172    86.60767
   43    42 S   HC   _H66    66     1.08888   108.21889    -0.22900
   44    42 S   HC   _H67    67     1.08786   108.04191  -115.72032
   45    40 S   CM   _C16    40     1.48336   117.79208     1.95154
   46    42 S   CA   _C12    68     1.49716   111.81956   121.66486
   47    45 S   CM   _C19    41     1.35253   121.75158   -21.11794
   48    45 S   CO4  _C22    53     1.48462   122.36539   159.12608
   49    48 S   O    _O35    54     1.22489   119.31373   119.20274
   50    46 S   CA   _C14    69     1.39496   119.86906   104.41222
   51    33 S   CT   _C25    42     1.58197   113.56137   156.53757
   52    47 S   OH   _O38    51     1.38504   121.42952  -176.74761
   53    52 S   HO   _H73    52     0.96044   109.55149     0.09279
   54    48 S   CT   _C34    55     1.52013   116.83633   -60.02212
   55    54 S   HC   _H70    56     1.09750   108.32210    30.01867
   56    50 S   CA   _C9_    70     1.39553   119.99242   179.96044
   57    56 S   HA   _H46    71     1.08767   119.97889  -179.95577
   58    50 S   OH   _O36   105     1.36213   120.83719     0.01978
   59    58 S   HO   _H71   106     0.97063   110.20438  -180.00000
   60    51 S   CT   _C28    43     1.55271   110.68094  -166.00959
   61    60 S   HC   _H54    44     1.08115   108.50866    61.15737
   62    60 S   HC   _H55    45     1.08013   108.54684   -58.78088
   63    60 S   HC   _H56    46     1.08065   108.55216  -178.87013
   64    51 S   CT   _C29    47     1.55285   110.69377   -48.35594
   65    64 S   HC   _H57    48     1.08071   108.55058   -57.31512
   66    64 S   HC   _H58    49     1.07987   108.59641  -177.29361
   67    64 S   HC   _H59    50     1.08020   108.53758    62.64288
   68    54 S   CT   _C30    57     1.52683   110.60026   -87.86563
   69    68 S   HC   _H60    58     1.09522   110.78169   -61.75251
   70    68 S   HC   _H61    59     1.09486   110.77412    58.13910
   71    68 S   HC   _H62    60     1.09594   111.49679   178.48045
   72    54 S   CT   _C31    61     1.52467   109.82247   149.48868
   73    72 S   HC   _H63    62     1.09553   110.85420    61.17232
   74    72 S   HC   _H64    63     1.09569   111.24471   -59.23029
   75    72 S   HC   _H65    64     1.09524   111.11961  -178.89606
   76    56 S   CA   _C13    72     1.39471   120.00300    -0.02798
   77    76 S   CA   _C11    73     1.39496   120.00455     0.02798
   78    76 S   OS   _O40    90     1.36282   119.05082   179.92087
   79    46 S   CA   _C15    74     1.39471   120.12631   -75.64958
   80    77 S   CO4  _C21    77     1.45859   119.97573   179.96574
   81    80 S   O    _O34    78     1.23778   120.09838    90.00873
   82    78 S   CT   _C33    91     1.42524   117.00299   -59.94376
   83    82 S   HC   _H68    92     1.09497   107.80900   -30.03506
   84    82 S   HC   _H69    93     1.09106   108.15350    85.99667
   85    79 S   OH   _O37    75     1.36498   119.87580     0.02798
   86    85 S   HO   _H72    76     0.96943   110.08292   179.93744
   87    80 S   CA   _C10    79     1.49213   122.26671   -89.97724
   88    82 S   CM   _C20    94     1.49674   109.49630  -148.85210
   89    88 S   HC   _H47    95     1.08949   114.01130    58.24264
   90    87 S   CA   _C7_    80     1.39418   119.99098     0.02798
   91    90 S   HA   _H44    81     1.08671   120.70487    -0.01978
   92    88 S   CM   _C23    96     1.34649   128.15527  -122.09942
   93    90 S   CA   _C5_    82     1.39596   119.99118  -179.97202
   94    93 S   HA   _H42    83     1.08605   120.00670  -179.97202
   95    92 S   CT   _C26    97     1.50579   120.27941  -179.78878
   96    95 S   HC   _H48    98     1.09436   110.30053    89.99707
   97    95 S   HC   _H49    99     1.09544   110.22844  -150.23521
   98    95 S   HC   _H50   100     1.09538   112.49625   -30.16869
   99    92 S   CT   _C27   101     1.50256   125.48036     0.21122
  100    99 S   HC   _H51   102     1.09466   110.05350    90.02107
  101    99 S   HC   _H52   103     1.09215   113.73762  -149.53449
  102    99 S   HC   _H53   104     1.09531   109.98110   -29.22368
  103    93 S   CA   _C4_    84     1.39507   119.97145    -0.03426
  104   103 S   HA   _H41    85     1.08572   119.99261  -179.98022
  105   103 S   CA   _C6_    86     1.39514   119.98175     0.01978
  106   105 S   HA   _H43    87     1.08628   119.90987   179.97202
  107    87 S   CA   _C8_    88     1.39507   119.97159   179.97202
  108   107 S   HA   _H45    89     1.08661   120.60988    -0.03956
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  21   2   1   1  16   7   1  12   4  11   4   3  12  11  14  13
   4   9  10   3   1   9   8   9   4   3   1   7   3   2   1   3
   2   1   1   7   3   2   1   3   2   1   1  11  10   8   5   9
   3   7   4   3   1   1   9  10   3   8   4   8   6   3   7   3
   2   1   3   2   1   1   5   3   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    51    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    51    60    64    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    45    47    51    60    61    62    63    64    65    66    67    52    42    43    44    46    38    39  
   35    36  
   36  
    0  
   40    41    45    47    51    60    64    48    42    43    44    46    50    79    38    39  
   39    40    42    47    51    60    64  
   51  
   41    45    47    51    52    48    49    54    42    43    44    46  
   45    47    48    42  
   43    44    46    50    56    77    79    85    58    45    51  
   44    46    50    79  
   46    50    79  
   47    51    60    64    52    53    48    49    54    55    68    72  
   50    56    57    76    77    79    85    86    80    58    59  
   51    60    61    62    63    64    65    66    67    52    53    48    49    54  
   49    54    55    68    69    70    71    72    73    74    75    51    52  
   54    55    68    72  
   56    57    76    77    79    85    78    58    59  
   60    61    62    63    64    65    66    67    52    53  
   53    60    64  
    0  
   55    68    69    70    71    72    73    74    75  
   68    69    70    71    72    73    74    75  
   57    76    77    79    80    78    82    58    59  
   76    77    78    58  
   59    76    79  
    0  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   77    79    85    80    81    87    78    82    83    84    88  
   79    85    86    80    81    87    90   107    78    82  
   82    83    84    88    89    92    79    80  
   85    86    80    81    87  
   81    87    90    91    93   105   107   108    85  
   87    90   107  
   83    84    88    89    92    95    99  
   84    88    89    92  
   88    89    92  
   86  
    0  
   90    91    93    94   103   105   106   107   108  
   89    92    95    96    97    98    99   100   101   102  
   92    95    99  
   91    93    94   103   104   105   107   108  
   93    94   103   107  
   95    96    97    98    99   100   101   102  
   94   103   104   105   106   107  
  103   104   105  
   96    97    98    99   100   101   102  
   97    98    99  
   98    99  
   99  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107   108  
  105   106   107  
  106   107   108  
  107   108  
  108  
    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   0.432500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   88   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   89   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  104   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  105   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  106   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  107   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  108   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   317.000  1.510
   33    51   268.000  1.529
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   317.000  1.510
   40    41   745.000  1.250
   40    45   465.000  1.376
   45    47   549.000  1.340
   45    48   320.000  1.462
   47    51   317.000  1.510
   47    52   510.000  1.338
   51    60   268.000  1.529
   51    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   52    53   553.000  0.945
   48    49   570.000  1.229
   48    54   317.000  1.522
   54    55   340.000  1.090
   54    68   268.000  1.529
   54    72   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   317.000  1.510
   46    50   469.000  1.400
   46    79   469.000  1.400
   50    56   469.000  1.400
   50    58   450.000  1.364
   56    57   367.000  1.080
   56    76   469.000  1.400
   76    77   469.000  1.400
   76    78   450.000  1.364
   77    79   469.000  1.400
   77    80   310.000  1.470
   79    85   450.000  1.364
   85    86   553.000  0.945
   80    81   570.000  1.229
   80    87   310.000  1.470
   87    90   469.000  1.400
   87   107   469.000  1.400
   90    91   367.000  1.080
   90    93   469.000  1.400
   93    94   367.000  1.080
   93   103   469.000  1.400
  103   104   367.000  1.080
  103   105   469.000  1.400
  105   106   367.000  1.080
  105   107   469.000  1.400
  107   108   367.000  1.080
   78    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    88   317.000  1.510
   88    89   340.000  1.080
   88    92   549.000  1.340
   92    95   317.000  1.510
   92    99   317.000  1.510
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   58    59   553.000  0.945
   38    39   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    51    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    51    47    70.00000  112.02700
   33    51    60    58.35000  112.70000
   33    51    64    58.35000  112.70000
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    45    70.00000  123.01800
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    46    70.00000  112.99600
   40    45    47    70.00000  117.34000
   40    45    48    60.00000  125.92000
   45    40    41    65.00000  137.10300
   45    47    51    70.00000  124.00000
   45    47    52    80.00000  121.38400
   45    48    49    80.00000  123.72100
   45    48    54    65.00000  118.62400
   47    51    60    70.00000  112.02700
   47    51    64    70.00000  112.02700
   47    52    53    70.00000  107.45700
   51    33    37    70.00000  112.02700
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    63    37.50000  110.70000
   51    64    65    37.50000  110.70000
   51    64    66    37.50000  110.70000
   51    64    67    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    51    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   52    47    51    90.00000  109.34000
   48    45    47    65.00000  118.96000
   48    54    55    35.00000  109.50000
   48    54    68    63.00000  111.10000
   48    54    72    63.00000  111.10000
   54    48    49    80.00000  120.40000
   54    68    69    37.50000  110.70000
   54    68    70    37.50000  110.70000
   54    68    71    37.50000  110.70000
   54    72    73    37.50000  110.70000
   54    72    74    37.50000  110.70000
   54    72    75    37.50000  110.70000
   68    54    55    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    54    55    37.50000  110.70000
   72    54    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   42    37    40    70.00000  124.00000
   42    46    50    70.00000  120.00000
   42    46    79    70.00000  120.00000
   44    42    43    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    35.00000  109.50000
   46    50    56    63.00000  120.00000
   46    50    58    70.00000  120.00000
   46    79    77    63.00000  120.00000
   46    79    85    70.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    76    63.00000  120.00000
   50    58    59    35.00000  113.00000
   56    76    77    63.00000  120.00000
   56    76    78    70.00000  120.00000
   76    56    57    35.00000  120.00000
   76    77    79    63.00000  120.00000
   76    77    80    60.00000  119.52600
   76    78    82    75.00000  111.00000
   77    79    85    70.00000  120.00000
   77    80    81    75.00000  123.78400
   77    80    87    65.00000  116.00000
   79    46    50    63.00000  120.00000
   79    85    86    35.00000  113.00000
   80    77    79    60.00000  119.52600
   80    87    90    60.00000  119.52600
   80    87   107    60.00000  119.52600
   87    80    81    75.00000  123.78400
   87    90    91    35.00000  120.00000
   87    90    93    63.00000  120.00000
   87   107   105    63.00000  120.00000
   87   107   108    35.00000  120.00000
   90    93    94    35.00000  120.00000
   90    93   103    63.00000  120.00000
   93    90    91    35.00000  120.00000
   93   103   104    35.00000  120.00000
   93   103   105    63.00000  120.00000
  103    93    94    35.00000  120.00000
  103   105   106    35.00000  120.00000
  103   105   107    63.00000  120.00000
  105   103   104    35.00000  120.00000
  105   107   108    35.00000  120.00000
  107    87    90    63.00000  120.00000
  107   105   106    35.00000  120.00000
   78    76    77    70.00000  120.00000
   78    82    83    35.00000  109.50000
   78    82    84    35.00000  109.50000
   78    82    88    85.00000  110.90400
   82    88    89    35.00000  117.00000
   82    88    92    70.00000  124.00000
   84    82    83    33.00000  107.80000
   88    82    83    35.00000  109.50000
   88    82    84    35.00000  109.50000
   88    92    95    70.00000  124.00000
   88    92    99    70.00000  124.00000
   92    88    89    35.00000  120.00000
   92    95    96    35.00000  109.50000
   92    95    97    35.00000  109.50000
   92    95    98    35.00000  109.50000
   92    99   100    35.00000  109.50000
   92    99   101    35.00000  109.50000
   92    99   102    35.00000  109.50000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   99    92    95    65.00000  117.92700
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   58    50    56    70.00000  120.00000
   38    33    37    90.00000  110.39200
   38    33    51    50.00000  109.50000
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
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    51    47   0.56750  1.0 1.0
   29    33    51    47  -0.07550 -1.0 2.0
   29    33    51    47   0.20000  1.0 3.0
   29    33    51    60   0.44750  1.0 1.0
   29    33    51    60  -0.17800 -1.0 2.0
   29    33    51    60   0.20200  1.0 3.0
   29    33    51    64   0.44750  1.0 1.0
   29    33    51    64  -0.17800 -1.0 2.0
   29    33    51    64   0.20200  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    45   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    51    60    61   0.15000  1.0 3.0
   33    51    60    62   0.15000  1.0 3.0
   33    51    60    63   0.15000  1.0 3.0
   33    51    64    65   0.15000  1.0 3.0
   33    51    64    66   0.15000  1.0 3.0
   33    51    64    67   0.15000  1.0 3.0
   37    33    51    47   0.31000  1.0 1.0
   37    33    51    47   0.14700 -1.0 2.0
   37    33    51    47   0.07550  1.0 3.0
   37    33    51    60   0.34400  1.0 1.0
   37    33    51    60   0.09450 -1.0 2.0
   37    33    51    60   0.11100  1.0 3.0
   37    33    51    64   0.34400  1.0 1.0
   37    33    51    64   0.09450 -1.0 2.0
   37    33    51    64   0.11100  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40   -45    47   7.00000 -1.0 2.0
   37    40    45    48   7.00000 -1.0 2.0
   37    42    46    50   0.18050 -1.0 2.0
   37    42    46    79   0.18050 -1.0 2.0
   40    37    42    43   0.00000  1.0 1.0
   40    37    42    44   0.00000  1.0 1.0
   40    37    42    46   1.44450  1.0 1.0
   40    37    42    46   0.06600 -1.0 2.0
   40    37    42    46   0.29250  1.0 3.0
   40    45    47    51   7.00000 -1.0 2.0
   40    45    47    52   7.00000 -1.0 2.0
   40    45    48    49   1.00000 -1.0 2.0
   40    45    48    54  -0.33500  1.0 1.0
   40    45    48    54   1.06600 -1.0 2.0
   40    45    48    54  -0.14000  1.0 3.0
   41    40    45    47   7.00000 -1.0 2.0
   41    40    45    48   7.00000 -1.0 2.0
   45    47   -51    33   0.09850  1.0 1.0
   45    47   -51    33   0.15250 -1.0 2.0
   45    47   -51    33  -0.50650  1.0 3.0
   45    47    51    60   0.09850  1.0 1.0
   45    47    51    60   0.15250 -1.0 2.0
   45    47    51    60  -0.50650  1.0 3.0
   45    47    51    64   0.09850  1.0 1.0
   45    47    51    64   0.15250 -1.0 2.0
   45    47    51    64  -0.50650  1.0 3.0
   45    47    52    53  -0.66100  1.0 1.0
   45    47    52    53   1.20850 -1.0 2.0
   45    47    52    53  -0.36000  1.0 3.0
   45    48    54    55   0.00000  1.0 1.0
   45    48    54    68   0.65300  1.0 1.0
   45    48    54    68  -0.03850 -1.0 2.0
   45    48    54    68   0.33900  1.0 3.0
   45    48    54    72   0.65300  1.0 1.0
   45    48    54    72  -0.03850 -1.0 2.0
   45    48    54    72   0.33900  1.0 3.0
   47    45    48    49   1.00000 -1.0 2.0
   47    45    48    54  -0.33500  1.0 1.0
   47    45    48    54   1.06600 -1.0 2.0
   47    45    48    54  -0.14000  1.0 3.0
   47    51    60    61   0.15000  1.0 3.0
   47    51    60    62   0.15000  1.0 3.0
   47    51    60    63   0.15000  1.0 3.0
   47    51    64    65   0.15000  1.0 3.0
   47    51    64    66   0.15000  1.0 3.0
   47    51    64    67   0.15000  1.0 3.0
   51    33   -37    40   0.09850  1.0 1.0
   51    33   -37    40   0.15250 -1.0 2.0
   51    33   -37    40  -0.50650  1.0 3.0
   51    33    37    42   0.46850  1.0 1.0
   51    33    37    42   0.08550 -1.0 2.0
   51    33    37    42   0.09800  1.0 3.0
   51    33    38    39  -0.11600  1.0 1.0
   51    33    38    39  -0.09450 -1.0 2.0
   51    33    38    39   0.21250  1.0 3.0
   51    47    52    53   2.00000 -1.0 2.0
   60    51    64    65   0.15000  1.0 3.0
   60    51    64    66   0.15000  1.0 3.0
   60    51    64    67   0.15000  1.0 3.0
   64    51    60    61   0.15000  1.0 3.0
   64    51    60    62   0.15000  1.0 3.0
   64    51    60    63   0.15000  1.0 3.0
   52    47    51    33   0.09700  1.0 1.0
   52    47    51    33   0.15600 -1.0 2.0
   52    47    51    33  -0.50800  1.0 3.0
   52    47    51    60   0.09700  1.0 1.0
   52    47    51    60   0.15600 -1.0 2.0
   52    47    51    60  -0.50800  1.0 3.0
   52    47    51    64   0.09700  1.0 1.0
   52    47    51    64   0.15600 -1.0 2.0
   52    47    51    64  -0.50800  1.0 3.0
   48    45    47    51   7.00000 -1.0 2.0
   48    45    47    52   7.00000 -1.0 2.0
   48    54    68    69  -0.11250  1.0 3.0
   48    54    68    70  -0.11250  1.0 3.0
   48    54    68    71  -0.11250  1.0 3.0
   48    54    72    73  -0.11250  1.0 3.0
   48    54    72    74  -0.11250  1.0 3.0
   48    54    72    75  -0.11250  1.0 3.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    68   0.30150 -1.0 2.0
   49    48    54    72   0.30150 -1.0 2.0
   55    54    68    69   0.15000  1.0 3.0
   55    54    68    70   0.15000  1.0 3.0
   55    54    68    71   0.15000  1.0 3.0
   55    54    72    73   0.15000  1.0 3.0
   55    54    72    74   0.15000  1.0 3.0
   55    54    72    75   0.15000  1.0 3.0
   68    54    72    73   0.15000  1.0 3.0
   68    54    72    74   0.15000  1.0 3.0
   68    54    72    75   0.15000  1.0 3.0
   72    54    68    69   0.15000  1.0 3.0
   72    54    68    70   0.15000  1.0 3.0
   72    54    68    71   0.15000  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    45   7.00000 -1.0 2.0
   42    46    50    56   3.62500 -1.0 2.0
   42    46    50    58   3.62500 -1.0 2.0
   42    46    79    77   3.62500 -1.0 2.0
   42    46    79    85   3.62500 -1.0 2.0
   43    42    46    50   0.00000  1.0 1.0
   43    42    46    79   0.00000  1.0 1.0
   44    42    46    50   0.00000  1.0 1.0
   44    42    46    79   0.00000  1.0 1.0
   46    50    56    57   3.62500 -1.0 2.0
   46    50    56    76   3.62500 -1.0 2.0
   46    50    58    59   0.84100 -1.0 2.0
   46    79    85    86   0.84100 -1.0 2.0
   50    46    79    77   3.62500 -1.0 2.0
   50    46    79    85   3.62500 -1.0 2.0
   50    56   -76    77   3.62500 -1.0 2.0
   50    56    76    78   3.62500 -1.0 2.0
   56    50    58    59   0.84100 -1.0 2.0
   56    76    77    79   3.62500 -1.0 2.0
   56    76    77    80   3.62500 -1.0 2.0
   56    76    78    82   1.63200 -1.0 2.0
   57    56    76    77   3.62500 -1.0 2.0
   57    56    76    78   3.62500 -1.0 2.0
   76    77   -79    46   3.62500 -1.0 2.0
   76    77    79    85   3.62500 -1.0 2.0
   76    77    80    81   1.05000 -1.0 2.0
   76    77    80    87   0.56600 -1.0 2.0
   76    78    82    83   0.08050  1.0 3.0
   76    78    82    84   0.08050  1.0 3.0
   76    78    82    88  -0.25600  1.0 1.0
   76    78    82    88  -0.40050 -1.0 2.0
   76    78    82    88   0.34700  1.0 3.0
   77    76    78    82   1.63200 -1.0 2.0
   77    79    85    86   0.84100 -1.0 2.0
   77    80    87    90   0.56600 -1.0 2.0
   77    80    87   107   0.56600 -1.0 2.0
   79    46   -50    56   3.62500 -1.0 2.0
   79    46    50    58   3.62500 -1.0 2.0
   79    77    80    81   1.05000 -1.0 2.0
   79    77    80    87   0.56600 -1.0 2.0
   80    77    79    46   3.62500 -1.0 2.0
   80    77    79    85   3.62500 -1.0 2.0
   80    87    90    91   3.62500 -1.0 2.0
   80    87    90    93   3.62500 -1.0 2.0
   80    87   107   105   3.62500 -1.0 2.0
   80    87   107   108   3.62500 -1.0 2.0
   81    80    87    90   1.05000 -1.0 2.0
   81    80    87   107   1.05000 -1.0 2.0
   87    90    93    94   3.62500 -1.0 2.0
   87    90    93   103   3.62500 -1.0 2.0
   90    87   107   105   3.62500 -1.0 2.0
   90    87   107   108   3.62500 -1.0 2.0
   90    93   103   104   3.62500 -1.0 2.0
   90    93  -103   105   3.62500 -1.0 2.0
   91    90    93    94   3.62500 -1.0 2.0
   91    90    93   103   3.62500 -1.0 2.0
   93   103   105   106   3.62500 -1.0 2.0
   93   103   105   107   3.62500 -1.0 2.0
   94    93   103   104   3.62500 -1.0 2.0
   94    93   103   105   3.62500 -1.0 2.0
  103   105  -107    87   3.62500 -1.0 2.0
  103   105   107   108   3.62500 -1.0 2.0
  104   103   105   106   3.62500 -1.0 2.0
  104   103   105   107   3.62500 -1.0 2.0
  106   105   107    87   3.62500 -1.0 2.0
  106   105   107   108   3.62500 -1.0 2.0
  107    87    90    91   3.62500 -1.0 2.0
  107    87   -90    93   3.62500 -1.0 2.0
   78    76    77    79   3.62500 -1.0 2.0
   78    76    77    80   3.62500 -1.0 2.0
   78    82    88    89   0.00000  1.0 1.0
   78    82    88    92   0.39000  1.0 1.0
   78    82    88    92  -0.05800 -1.0 2.0
   78    82    88    92  -0.55150  1.0 3.0
   82    88    92    95   7.00000 -1.0 2.0
   82    88    92    99   7.00000 -1.0 2.0
   83    82    88    89   0.33100  1.0 3.0
   83    82    88    92   0.00000  1.0 1.0
   84    82    88    89   0.33100  1.0 3.0
   84    82    88    92   0.00000  1.0 1.0
   88    92    95    96   0.00000  1.0 1.0
   88    92    95    97   0.00000  1.0 1.0
   88    92    95    98   0.00000  1.0 1.0
   88    92    99   100   0.00000  1.0 1.0
   88    92    99   101   0.00000  1.0 1.0
   88    92    99   102   0.00000  1.0 1.0
   89    88    92    95   7.00000 -1.0 2.0
   89    88    92    99   7.00000 -1.0 2.0
   95    92    99   100   0.34800  1.0 3.0
   95    92    99   101   0.34800  1.0 3.0
   95    92    99   102   0.34800  1.0 3.0
   99    92    95    96   0.34800  1.0 3.0
   99    92    95    97   0.34800  1.0 3.0
   99    92    95    98   0.34800  1.0 3.0
   58    50    56    57   3.62500 -1.0 2.0
   58    50    56    76   3.62500 -1.0 2.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    42   0.18000  1.0 1.0
   38    33    37    42   0.16450 -1.0 2.0
   38    33    37    42   0.04450  1.0 3.0
   38    33    51    47   1.05650  1.0 1.0
   38    33    51    47   0.15600 -1.0 2.0
   38    33    51    47   0.53150  1.0 3.0
   38    33    51    60   0.86500  1.0 1.0
   38    33    51    60  -0.17500 -1.0 2.0
   38    33    51    60   0.20800  1.0 3.0
   38    33    51    64   0.86500  1.0 1.0
   38    33    51    64  -0.17500 -1.0 2.0
   38    33    51    64   0.20800  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   45    41    40    37   1.10000 -1.0 2.0
   40    48    45    47   1.10000 -1.0 2.0
   51    52    47    45   1.10000 -1.0 2.0
   45    54    48    49  10.50000 -1.0 2.0
   50    79    46    42   4.00000 -1.0 2.0
   56    58    50    46   4.00000 -1.0 2.0
   76    57    56    50   1.10000 -1.0 2.0
   77    78    76    56   4.00000 -1.0 2.0
   79    80    77    76   4.00000 -1.0 2.0
   77    85    79    46   4.00000 -1.0 2.0
   77    87    80    81  10.50000 -1.0 2.0
   90   107    87    80   4.00000 -1.0 2.0
   93    91    90    87   1.10000 -1.0 2.0
  103    94    93    90   1.10000 -1.0 2.0
  105   104   103    93   1.10000 -1.0 2.0
  107   106   105   103   1.10000 -1.0 2.0
  105   108   107    87   1.10000 -1.0 2.0
   82    89    88    92  15.00000 -1.0 2.0
   95    99    92    88  15.00000 -1.0 2.0
END
