* LIGAND DATABASE FILE (OPLS2005)
*
001     113   116    206    323     595
    1     0 S   NP   _N1_     1    29.49607    92.90800   -17.36016
    2     1 S   H    _HN1     2     1.02717    79.94590   -34.78954
    3     1 S   H    _H1_     3     1.03479   134.76660    69.59352
    4     1 S   H    _H2_     4     1.02889    33.76336   111.54375
    5     1 S   CT   _CA1     5     1.50357   105.82999  -145.27434
    6     5 S   HC   _HA1     6     1.09686   104.44476    32.80563
    7     5 S   CO3  _C1_     7     1.54455   111.36011   -82.63802
    8     7 S   O2Z  _O11     8     1.26041   116.80718  -125.61948
    9     7 S   O2Z  _O12     9     1.26632   113.73295    54.10103
   10     5 S   CT   _CB1    10     1.53046   106.99143   148.87834
   11    10 S   HC   HB11    11     1.09853   110.06761   -40.50893
   12    10 S   HC   HB12    12     1.09745   110.13627    75.87470
   13    10 S   CT   _CG1    13     1.53014   112.39880  -161.02801
   14    13 S   HC   HG11    14     1.09473   111.85224   -60.22987
   15    13 S   HC   HG12    15     1.09621   110.44410    58.89751
   16    13 S   C    _CD1    16     1.51310   110.37830   178.43227
   17    16 S   O    _OE1    17     1.22850   121.74382  -100.81513
   18    16 S   N    _N2_    18     1.38323   112.85702    78.08453
   19    18 S   H    _HN2    19     1.01584   119.05550     6.14950
   20    18 S   CT1  _CA2    20     1.45609   122.76268   179.76930
   21    20 S   HC   _HA2    21     1.09735   108.90779    21.98880
   22    20 S   C    _C2_    22     1.52946   107.24567   -95.10399
   23    22 S   O    _O2_    23     1.22955   123.01174   -23.58404
   24    20 S   CT   _CB2    32     1.53377   112.71498   144.86783
   25    24 S   HC   HB21    33     1.09499   110.16561    59.79410
   26    24 S   HC   HB22    34     1.09187   108.75562   177.83671
   27    22 S   N    _N3_    24     1.38675   112.41201   159.48819
   28    27 S   H    _HN3    25     1.01485   119.80394    -0.13988
   29    24 S   S    _SG2    35     1.82992   111.39360   -60.84583
   30    27 S   CT   _CA3    26     1.45385   122.46743   173.82191
   31    30 S   HC   HA31    27     1.09556   108.64923    36.66809
   32    30 S   HC   HA32    28     1.09472   107.19209   153.80450
   33    29 S   CT   _C11    36     1.87371   102.73441  -160.26684
   34    30 S   CO3  _C3_    29     1.53174   114.08970   -85.84100
   35    34 S   O2Z  _O31    30     1.26334   116.22064   -20.08205
   36    34 S   O2Z  _O32    31     1.26475   114.38261   160.61822
   37    33 S   CM   _C10    37     1.53018   109.89323   -46.02560
   38    33 S   CM   _C15   109     1.52517   106.69098  -171.42939
   39    38 S   HC   _H14   110     1.08938   118.06975   -13.72027
   40    37 S   N    _N5_    38     1.37529   107.83760   108.58083
   41    40 S   H    _H10    39     1.01409   122.68927  -173.48416
   42    37 S   CM   _C9_    48     1.34531   132.49243   -69.39272
   43    42 S   HC   _H9_    49     1.08784   119.40240   177.94900
   44    38 S   CM   _C16   111     1.34153   125.81925   168.77763
   45    44 S   HC   _H15   112     1.08515   120.31169   178.93559
   46    44 S   HC   _H16   113     1.08436   121.92863    -0.97136
   47    40 S   C    _C13    40     1.38190   114.91810     3.89506
   48    47 S   O    _O33    41     1.22096   126.84992  -175.82636
   49    42 S   C5A  _C8_    50     1.41303   124.45131    -0.57607
   50    33 S   CT   _C12    42     1.56732   113.90351    68.64033
   51    50 S   HC   _H3_    43     1.10047   109.59584   147.08528
   52    49 S   C5BC _C5_    51     1.38552   134.30776    97.70192
   53    50 S   CT   _C14    44     1.52267   118.80286    24.60799
   54    53 S   HC   _H11    45     1.09399   112.53753   -69.37271
   55    53 S   HC   _H12    46     1.09624   110.06357   172.33917
   56    53 S   HC   _H13    47     1.09445   111.19155    53.35777
   57    52 S   C5BC _C6_    52     1.44174   107.11324   178.18900
   58    52 S   CT   _C4_   105     1.48868   126.52596    -2.07830
   59    58 S   HC   _H5_   106     1.09345   110.39672   -97.62818
   60    58 S   HC   _H6_   107     1.09450   111.42683    22.70643
   61    58 S   HC   _H7_   108     1.09445   110.94141   142.26720
   62    57 S   C5A  _C7_    53     1.38812   106.81414    -3.62288
   63    57 S   CT   _C34    96     1.50248   126.28471   177.22533
   64    63 S   HC   _H34    97     1.09737   108.24454    51.91696
   65    63 S   HC   _H35    98     1.09471   110.66624   167.51631
   66    49 S   NA   _N4_    54     1.37032   117.81931   -88.02129
   67    66 S   H    _H8_    55     1.01096   124.80924     1.45239
   68    62 S   CM   _C17    56     1.41713   135.63864  -178.23586
   69    68 S   HC   _H17    57     1.08609   116.99759  -123.68380
   70    63 S   CT   _C35    99     1.52505   113.63875   -69.17890
   71    70 S   HC   _H36   100     1.09775   108.23416   169.57198
   72    70 S   HC   _H37   101     1.09527   110.20108    53.36753
   73    68 S   CM   _C18    58     1.34276   122.44822    58.26416
   74    70 S   CO3  _C36   102     1.53066   117.10790   -70.80021
   75    74 S   O2Z  _O38   103     1.25989   116.83001   -20.00994
   76    74 S   O2Z  _O37   104     1.26676   113.85488   161.33860
   77    73 S   CM   _C19    59     1.45670   126.54506   179.46992
   78    77 S   CM   _C20    60     1.34079   109.90366  -179.40324
   79    77 S   CT   _C31    87     1.50065   123.95265    -0.93607
   80    79 S   HC   _H30    88     1.09741   109.77569  -155.42124
   81    79 S   HC   _H31    89     1.09713   109.97894   -40.69304
   82    78 S   CD   _C21    61     1.46992   101.47027     0.03426
   83    78 S   CT   _C30    83     1.47748   132.71033  -179.17291
   84    83 S   HC   _H27    84     1.09455   110.55307   125.15066
   85    83 S   HC   _H28    85     1.09363   112.10577     5.47711
   86    83 S   HC   _H29    86     1.09430   110.48122  -114.85174
   87    79 S   CT   _C32    90     1.52683   112.41676    83.00484
   88    87 S   HC   _H32    91     1.09686   110.29056   -61.80453
   89    87 S   HC   _H33    92     1.09777   109.59678    55.93241
   90    73 S   NI   _N6_    62     1.37824   125.32466     0.41590
   91    82 S   CT   _C22    63     1.50553   122.54850  -178.65564
   92    91 S   HC   _H18    64     1.09740   108.28296  -144.96400
   93    91 S   HC   _H19    65     1.09495   108.79138   -28.93612
   94    87 S   CO3  _C33    93     1.53228   114.41044   177.04700
   95    94 S   O2Z  _O36    94     1.26501   114.15671  -169.85231
   96    94 S   O2Z  _O35    95     1.26168   116.62105    10.21762
   97    91 S   CT   _C23    66     1.52866   110.24314    93.02518
   98    97 S   HC   _H4_    67     1.09585   111.86277   -48.22305
   99    97 S   CM   _C24    68     1.50744   113.52643  -174.61817
  100    99 S   CM   _C25    69     1.34532   112.87284  -116.57060
  101    99 S   CT   _C29    79     1.49359   119.05449    66.08328
  102   101 S   HC   _H24    80     1.09409   110.54787   -73.76380
  103   101 S   HC   _H25    81     1.09329   112.58920   165.20355
  104   101 S   HC   _H26    82     1.09511   110.13147    45.99529
  105   100 S   C    _C26    70     1.48525   106.35964    -2.73345
  106   105 S   O    _O34    71     1.21932   125.46381  -178.32953
  107   100 S   CM   _C27    74     1.43692   131.35659  -178.28445
  108   107 S   HC   _H21    75     1.08736   116.16543   136.20527
  109    97 S   N    _N7_    72     1.43828   111.71462    72.41194
  110   109 S   H    _H20    73     1.01500   123.90413   -61.93410
  111   107 S   CM   _C28    76     1.33801   125.14097   -46.60081
  112   111 S   HC   _H22    77     1.08507   120.23311  -178.61351
  113   111 S   HC   _H23    78     1.08475   122.22286     0.68242
  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  11   5   4   3
  19   2   1   1  15  10   4   9   4  10   3   3   1   1   7   3
  11   5   4  13   3   2   1   1  17   6   2   1   1  11  10   5
   4   4   1   7   3   5   4   3  10   2   1   1  15  14  11   5
   4  12   5   2   1   1   5   4   3   4  10   5   4   2   1   1
  12   6  12  13   6   2   1   1   6   3   5   3   1   1   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    50    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    50    51    53    42    38    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    48    50    51    53    54    55    56    42    43    49    38    39    44    45    46  
   35    36  
   36  
    0  
   40    41    47    48    50    51    53    42    43    49    52    66    38    39    44  
   39    44    45    46    40    42    47    50    51    53  
   44    45    46    50  
   41    47    48    50    51    53    42    43    49  
   47    48    50    42  
   43    49    52    57    62    66    67    58    47    50  
   49    52    66  
   45    46    50  
   46  
    0  
   48    50    51    53    54    55    56  
   50    51    53  
   52    57    62    66    67    68    63    58    59    60    61  
   51    53    54    55    56  
   53    54    55    56  
   57    62    66    67    68    63    64    65    70    58    59    60    61  
   54    55    56  
   55    56  
   56  
    0  
   62    66    67    68    69    73    63    64    65    70    71    72    74    58    59    60    61  
   59    60    61    62    63    66  
   60    61  
   61  
    0  
   66    67    68    69    73    77    90    63    64    65    70  
   64    65    70    71    72    74    75    76    66    68  
   65    70    71    72    74  
   70    71    72    74  
   67    68    69    73  
   68  
   69    73    77    78    82    90    79  
   73    77    90  
   71    72    74    75    76  
   72    74    75    76  
   74    75    76  
   77    78    82    90    91    83    79    80    81    87  
   75    76  
   76  
    0  
   78    82    90    91    83    84    85    86    79    80    81    87    88    89    94  
   82    90    91    92    93    97    83    84    85    86    79    80    81    87  
   80    81    87    88    89    94    95    96    82    83    90  
   81    87    88    89    94  
   87    88    89    94  
   90    91    92    93    97    98    99   109    83    84    85    86  
   84    85    86    90    91  
   85    86  
   86  
    0  
   88    89    94    95    96  
   89    94    95    96  
   94    95    96  
   91    92    93    97  
   92    93    97    98    99   100   105   109   110   101  
   93    97    98    99   109  
   97    98    99   109  
   95    96  
   96  
    0  
   98    99   100   105   106   109   110   107   101   102   103   104  
   99   100   105   109   110   101  
  100   105   106   109   110   107   108   111   101   102   103   104  
  105   106   109   110   107   108   111   112   113   101   102   103   104  
  102   103   104   105   107   109  
  103   104  
  104  
    0  
  106   109   110   107   108   111  
  109   110   107  
  108   111   112   113   109  
  111   112   113  
  110  
    0  
  112   113  
  113  
    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   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   41   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   67   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   74   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   91   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   97   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  100   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  107   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  108   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  109   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  110   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  111   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  112   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  113   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    38   317.000  1.510
   37    40   400.000  1.384
   37    42   549.000  1.340
   40    41   434.000  1.010
   40    47   490.000  1.335
   47    48   570.000  1.229
   47    50   317.000  1.522
   50    51   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   42    43   340.000  1.080
   42    49   375.000  1.423
   49    52   546.000  1.367
   49    66   427.000  1.381
   52    57   469.000  1.424
   52    58   285.000  1.502
   57    62   546.000  1.367
   57    63   285.000  1.502
   62    66   427.000  1.381
   62    68   375.000  1.423
   66    67   434.000  1.010
   68    69   340.000  1.080
   68    73   549.000  1.340
   73    77   380.000  1.444
   73    90   405.000  1.380
   77    78   549.000  1.340
   77    79   317.000  1.510
   78    82   320.000  1.464
   78    83   317.000  1.510
   82    90   500.000  1.261
   82    91   270.000  1.508
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    97   268.000  1.529
   97    98   340.000  1.090
   97    99   317.000  1.510
   97   109   337.000  1.449
   99   100   549.000  1.340
   99   101   317.000  1.510
  100   105   410.000  1.444
  100   107   380.000  1.444
  105   106   570.000  1.229
  105   109   490.000  1.335
  109   110   434.000  1.010
  107   108   340.000  1.080
  107   111   549.000  1.340
  111   112   340.000  1.080
  111   113   340.000  1.080
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   317.000  1.522
   94    95   656.000  1.250
   94    96   656.000  1.250
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   317.000  1.522
   74    75   656.000  1.250
   74    76   656.000  1.250
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   38    39   340.000  1.080
   38    44   549.000  1.340
   44    45   340.000  1.080
   44    46   340.000  1.080
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    38    75.00000  112.20000
   33    37    40    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    50    47    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    53    58.35000  112.70000
   33    38    39    35.00000  117.00000
   33    38    44    70.00000  124.00000
   37    40    41    45.00000  117.55000
   37    40    47    70.00000  120.89900
   37    42    43    35.00000  120.00000
   37    42    49    55.00000  128.24000
   40    47    48    80.00000  122.90000
   40    47    50    70.00000  116.60000
   47    40    41    35.00000  119.80000
   47    50    51    35.00000  109.50000
   47    50    53    63.00000  111.10000
   50    33    37    70.00000  112.02700
   50    47    48    80.00000  120.40000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   53    50    51    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   42    37    40    75.00000  120.83300
   42    49    52    50.00000  133.16000
   42    49    66    70.00000  120.38000
   49    42    43    40.00000  117.26300
   49    52    57    70.00000  107.30000
   49    52    58    60.00000  130.00000
   49    66    62    70.00000  109.80000
   49    66    67    35.00000  120.00000
   52    57    62    70.00000  107.30000
   52    57    63    60.00000  130.00000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   57    62    66    70.00000  107.70000
   57    62    68    50.00000  133.16000
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    70    70.00000  112.17500
   62    66    67    35.00000  120.00000
   62    68    69    40.00000  117.26300
   62    68    73    55.00000  128.24000
   66    49    52    70.00000  107.70000
   68    62    66    70.00000  120.38000
   68    73    77    70.00000  123.01800
   68    73    90    70.00000  120.83400
   73    68    69    35.00000  120.00000
   73    77    78    70.00000  123.01800
   73    77    79    70.00000  124.00000
   73    90    82    75.00000  115.77100
   77    78    82    60.00000  120.31500
   77    78    83    70.00000  124.00000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    87    70.00000  112.02700
   78    82    90    70.00000  121.86000
   78    82    91    65.00000  117.24000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   82    91    92    45.00000  109.49600
   82    91    93    45.00000  109.49600
   82    91    97    70.00000  111.76100
   90    73    77    70.00000  120.83400
   91    82    90    65.00000  122.10100
   91    97    98    37.50000  110.70000
   91    97    99    70.00000  112.02700
   91    97   109    70.00000  110.72300
   93    91    92    33.00000  107.80000
   97    91    92    37.50000  110.70000
   97    91    93    37.50000  110.70000
   97    99   100    70.00000  124.00000
   97    99   101    65.00000  117.92700
   97   109   105    50.00000  121.90000
   97   109   110    38.00000  118.40000
   99    97    98    35.00000  109.50000
   99   100   105    70.00000  118.70000
   99   100   107    70.00000  123.01800
   99   101   102    35.00000  109.50000
   99   101   103    35.00000  109.50000
   99   101   104    35.00000  109.50000
  100   105   106    80.00000  125.30000
  100   105   109    80.00000  111.56200
  100   107   108    35.00000  120.00000
  100   107   111    70.00000  123.01800
  105   109   110    35.00000  119.80000
  109    97    98    35.00000  109.50000
  109    97    99    75.00000  110.78400
  109   105   106    80.00000  122.90000
  107   100   105    70.00000  118.70000
  107   111   112    35.00000  120.00000
  107   111   113    35.00000  120.00000
  111   107   108    35.00000  120.00000
  113   111   112    35.00000  117.00000
  101    99   100    70.00000  124.00000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   83    78    82    65.00000  117.22000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   79    77    78    70.00000  124.00000
   79    87    88    37.50000  110.70000
   79    87    89    37.50000  110.70000
   79    87    94    70.00000  109.69300
   81    79    80    33.00000  107.80000
   87    79    80    37.50000  110.70000
   87    79    81    37.50000  110.70000
   87    94    95    70.00000  117.00000
   87    94    96    70.00000  117.00000
   89    87    88    33.00000  107.80000
   94    87    88    35.00000  109.50000
   94    87    89    35.00000  109.50000
   96    94    95    80.00000  126.00000
   63    57    62    60.00000  130.00000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    74    70.00000  109.69300
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    74    75    70.00000  117.00000
   70    74    76    70.00000  117.00000
   72    70    71    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    72    35.00000  109.50000
   76    74    75    80.00000  126.00000
   58    52    57    60.00000  130.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   38    33    37    70.00000  110.12100
   38    33    50    70.00000  112.02700
   38    44    45    35.00000  120.00000
   38    44    46    35.00000  120.00000
   44    38    39    35.00000  120.00000
   46    44    45    35.00000  117.00000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    50    47   0.56750  1.0 1.0
   29    33    50    47  -0.07550 -1.0 2.0
   29    33    50    47   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    53   0.44750  1.0 1.0
   29    33    50    53  -0.17800 -1.0 2.0
   29    33    50    53   0.20200  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   33    37    40    41   2.40850 -1.0 2.0
   33    37   -40    47  -0.45200  1.0 1.0
   33    37   -40    47   0.85900 -1.0 2.0
   33    37   -40    47   0.16650  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    49   7.00000 -1.0 2.0
   33    50    53    54   0.15000  1.0 3.0
   33    50    53    55   0.15000  1.0 3.0
   33    50    53    56   0.15000  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   37    33   -50    47  -0.98800  1.0 1.0
   37    33   -50    47   0.48800 -1.0 2.0
   37    33   -50    47   0.76800  1.0 3.0
   37    33    50    51   0.15000  1.0 3.0
   37    33    50    53   0.34400  1.0 1.0
   37    33    50    53   0.09450 -1.0 2.0
   37    33    50    53   0.11100  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    44  -0.28300  1.0 1.0
   37    33    38    44   0.26700 -1.0 2.0
   37    33    38    44  -0.63300  1.0 3.0
   37    40    47    48   2.67200 -1.0 2.0
   37    40   -47    50   0.67100  1.0 1.0
   37    40   -47    50   1.42150 -1.0 2.0
   37    40   -47    50   0.18700  1.0 3.0
   37    42    49    52   0.15800  1.0 1.0
   37    42    49    52   1.85350 -1.0 2.0
   37    42    49    52  -0.48700  1.0 3.0
   37    42    49    66   0.11450  1.0 1.0
   37    42    49    66   1.85100 -1.0 2.0
   37    42    49    66  -0.49050  1.0 3.0
   40    37    42    43   7.00000 -1.0 2.0
   40    37    42    49   7.00000 -1.0 2.0
   40    47   -50    33   1.39750  1.0 1.0
   40    47   -50    33  -0.07950 -1.0 2.0
   40    47   -50    33  -0.18750  1.0 3.0
   40    47    50    51   0.00000  1.0 1.0
   40    47    50    53   1.39750  1.0 1.0
   40    47    50    53  -0.07950 -1.0 2.0
   40    47    50    53  -0.18750  1.0 3.0
   41    40    47    48   2.45000 -1.0 2.0
   41    40    47    50   2.45000 -1.0 2.0
   47    50    53    54  -0.11250  1.0 3.0
   47    50    53    55  -0.11250  1.0 3.0
   47    50    53    56  -0.11250  1.0 3.0
   48    47    50    33   0.30150 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    53   0.30150 -1.0 2.0
   50    33   -37    40  -0.93550  1.0 1.0
   50    33   -37    40   0.38900 -1.0 2.0
   50    33   -37    40   0.16950  1.0 3.0
   50    33    37    42   0.09850  1.0 1.0
   50    33    37    42   0.15250 -1.0 2.0
   50    33    37    42  -0.50650  1.0 3.0
   50    33    38    39   0.00000  1.0 1.0
   50    33    38    44   0.09850  1.0 1.0
   50    33    38    44   0.15250 -1.0 2.0
   50    33    38    44  -0.50650  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   42    37    40    41   0.78350 -1.0 2.0
   42    37    40    47  -0.18900  1.0 1.0
   42    37    40    47   1.70900 -1.0 2.0
   42    49    52    57   3.62500 -1.0 2.0
   42    49    52    58   3.62500 -1.0 2.0
   42    49    66    62   3.62500 -1.0 2.0
   42    49    66    67   2.00000 -1.0 2.0
   43    42    49    52   0.56550  1.0 3.0
   43    42    49    66   0.54250  1.0 3.0
   49    52   -57    62   3.62500 -1.0 2.0
   49    52    57    63   3.62500 -1.0 2.0
   49    52    58    59   0.00000  1.0 1.0
   49    52    58    60   0.00000  1.0 1.0
   49    52    58    61   0.00000  1.0 1.0
   52    49   -66    62   3.62500 -1.0 2.0
   52    49    66    67   2.00000 -1.0 2.0
   52    57   -62    66   3.62500 -1.0 2.0
   52    57    62    68   3.62500 -1.0 2.0
   52    57    63    64   0.00000  1.0 1.0
   52    57    63    65   0.00000  1.0 1.0
   52    57    63    70   0.04150 -1.0 2.0
   57    52    58    59   0.00000  1.0 1.0
   57    52    58    60   0.00000  1.0 1.0
   57    52    58    61   0.00000  1.0 1.0
   57    62   -66    49   3.62500 -1.0 2.0
   57    62    66    67   2.00000 -1.0 2.0
   57    62    68    69   0.56550  1.0 3.0
   57    62    68    73   0.15800  1.0 1.0
   57    62    68    73   1.85350 -1.0 2.0
   57    62    68    73  -0.48700  1.0 3.0
   57    63    70    71   0.43200  1.0 3.0
   57    63    70    72   0.43200  1.0 3.0
   57    63    70    74  -2.95950  1.0 1.0
   57    63    70    74   0.02300  1.0 3.0
   62    57    63    64   0.00000  1.0 1.0
   62    57    63    65   0.00000  1.0 1.0
   62    57    63    70   0.04150 -1.0 2.0
   62    68    73    77   7.00000 -1.0 2.0
   62    68    73    90   7.00000 -1.0 2.0
   66    49   -52    57   3.62500 -1.0 2.0
   66    49    52    58   3.62500 -1.0 2.0
   66    62    68    69   0.54250  1.0 3.0
   66    62    68    73   0.11450  1.0 1.0
   66    62    68    73   1.85100 -1.0 2.0
   66    62    68    73  -0.49050  1.0 3.0
   68    62    66    49   3.62500 -1.0 2.0
   68    62    66    67   2.00000 -1.0 2.0
   68    73    77    78   0.28850  1.0 1.0
   68    73    77    78   2.61350 -1.0 2.0
   68    73    77    78   0.78400  1.0 3.0
   68    73    77    79  -0.18600  1.0 3.0
   68    73    90    82   1.00000 -1.0 2.0
   69    68    73    77   7.00000 -1.0 2.0
   69    68    73    90   7.00000 -1.0 2.0
   73    77   -78    82   7.00000 -1.0 2.0
   73    77    78    83   7.00000 -1.0 2.0
   73    77    79    80   0.00000  1.0 1.0
   73    77    79    81   0.00000  1.0 1.0
   73    77    79    87   0.98200  1.0 1.0
   73    77    79    87  -0.11900 -1.0 2.0
   73    77    79    87   0.24250  1.0 3.0
   77    73   -90    82   1.00000 -1.0 2.0
   77    78   -82    90   1.09650  1.0 1.0
   77    78   -82    90   0.48950 -1.0 2.0
   77    78   -82    90   0.49400  1.0 3.0
   77    78    82    91   0.69550 -1.0 2.0
   77    78    83    84   0.00000  1.0 1.0
   77    78    83    85   0.00000  1.0 1.0
   77    78    83    86   0.00000  1.0 1.0
   77    79    87    88   0.15000  1.0 3.0
   77    79    87    89   0.15000  1.0 3.0
   77    79    87    94  -0.98800  1.0 1.0
   77    79    87    94   0.48800 -1.0 2.0
   77    79    87    94   0.76800  1.0 3.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    87   0.09850  1.0 1.0
   78    77    79    87   0.15250 -1.0 2.0
   78    77    79    87  -0.50650  1.0 3.0
   78    82   -90    73   6.00000 -1.0 2.0
   78    82    91    92   0.00000  1.0 1.0
   78    82    91    93   0.00000  1.0 1.0
   78    82    91    97   0.09850  1.0 1.0
   78    82    91    97   0.15250 -1.0 2.0
   78    82    91    97  -0.50650  1.0 3.0
   82    78    83    84   0.00000  1.0 1.0
   82    78    83    85   0.00000  1.0 1.0
   82    78    83    86   0.00000  1.0 1.0
   82    91    97    98   0.15000  1.0 3.0
   82    91    97    99   0.31000  1.0 1.0
   82    91    97    99   0.14700 -1.0 2.0
   82    91    97    99   0.07550  1.0 3.0
   82    91    97   109   0.10350  1.0 1.0
   82    91    97   109  -0.04400 -1.0 2.0
   82    91    97   109   0.08800  1.0 3.0
   90    73   -77    78  -0.18600  1.0 3.0
   90    73    77    79   1.08500 -1.0 2.0
   90    82    91    92   0.00000  1.0 1.0
   90    82    91    93   0.00000  1.0 1.0
   90    82    91    97   0.00000  1.0 1.0
   91    82    90    73   6.00000 -1.0 2.0
   91    97    99   100   0.09850  1.0 1.0
   91    97    99   100   0.15250 -1.0 2.0
   91    97    99   100  -0.50650  1.0 3.0
   91    97    99   101   0.46850  1.0 1.0
   91    97    99   101   0.08550 -1.0 2.0
   91    97    99   101   0.09800  1.0 3.0
   91    97   109   105  -0.43950  1.0 1.0
   91    97   109   105  -0.08100 -1.0 2.0
   91    97   109   105   0.03350  1.0 3.0
   91    97   109   110   0.00000  1.0 1.0
   92    91    97    98   0.15000  1.0 3.0
   92    91    97    99   0.15000  1.0 3.0
   92    91    97   109   0.15000  1.0 3.0
   93    91    97    98   0.15000  1.0 3.0
   93    91    97    99   0.15000  1.0 3.0
   93    91    97   109   0.15000  1.0 3.0
   97    99  -100   105   7.00000 -1.0 2.0
   97    99   100   107   7.00000 -1.0 2.0
   97    99   101   102   0.34800  1.0 3.0
   97    99   101   103   0.34800  1.0 3.0
   97    99   101   104   0.34800  1.0 3.0
   98    97    99   100   0.00000  1.0 1.0
   98    97    99   101   0.34800  1.0 3.0
   98    97   109   105   0.00000  1.0 1.0
   98    97   109   110   0.00000  1.0 1.0
   99    97  -109   105  -0.19250  1.0 1.0
   99    97  -109   105  -0.00500 -1.0 2.0
   99    97  -109   105   0.17000  1.0 3.0
   99    97   109   110   0.00000  1.0 1.0
   99   100   105   106   1.00000 -1.0 2.0
   99   100  -105   109   0.49500  1.0 1.0
   99   100  -105   109   1.31600 -1.0 2.0
   99   100  -105   109  -0.02300  1.0 3.0
   99   100   107   108  -0.18600  1.0 3.0
   99   100   107   111   0.28850  1.0 1.0
   99   100   107   111   2.61350 -1.0 2.0
   99   100   107   111   0.78400  1.0 3.0
  100    99   101   102   0.00000  1.0 1.0
  100    99   101   103   0.00000  1.0 1.0
  100    99   101   104   0.00000  1.0 1.0
  100   105  -109    97   1.49850  1.0 1.0
  100   105  -109    97   1.53950 -1.0 2.0
  100   105   109   110   2.56700 -1.0 2.0
  100   107   111   112   7.00000 -1.0 2.0
  100   107   111   113   7.00000 -1.0 2.0
  105   100   107   108   0.00000  1.0 1.0
  105   100   107   111  -0.18600  1.0 3.0
  106   105   109    97   3.04450 -1.0 2.0
  106   105   109   110   2.45000 -1.0 2.0
  109    97   -99   100   0.62150  1.0 1.0
  109    97   -99   100   0.42850 -1.0 2.0
  109    97   -99   100  -0.68200  1.0 3.0
  109    97    99   101   0.09700  1.0 1.0
  109    97    99   101   0.15600 -1.0 2.0
  109    97    99   101  -0.50800  1.0 3.0
  107   100   105   106   1.00000 -1.0 2.0
  107   100   105   109   0.49500  1.0 1.0
  107   100   105   109   1.31600 -1.0 2.0
  107   100   105   109  -0.02300  1.0 3.0
  108   107   111   112   7.00000 -1.0 2.0
  108   107   111   113   7.00000 -1.0 2.0
  101    99   100   105   7.00000 -1.0 2.0
  101    99   100   107   7.00000 -1.0 2.0
   83    78    82    90   7.00000 -1.0 2.0
   83    78    82    91   7.00000 -1.0 2.0
   79    77    78    82   7.00000 -1.0 2.0
   79    77    78    83   7.00000 -1.0 2.0
   79    87    94    95   0.41150 -1.0 2.0
   79    87    94    96   0.41150 -1.0 2.0
   80    79    87    88   0.15000  1.0 3.0
   80    79    87    89   0.15000  1.0 3.0
   80    79    87    94  -0.11250  1.0 3.0
   81    79    87    88   0.15000  1.0 3.0
   81    79    87    89   0.15000  1.0 3.0
   81    79    87    94  -0.11250  1.0 3.0
   88    87    94    95   0.00000  1.0 1.0
   88    87    94    96   0.00000  1.0 1.0
   89    87    94    95   0.00000  1.0 1.0
   89    87    94    96   0.00000  1.0 1.0
   63    57    62    66   3.62500 -1.0 2.0
   63    57    62    68   3.62500 -1.0 2.0
   63    70    74    75   0.41150 -1.0 2.0
   63    70    74    76   0.41150 -1.0 2.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    74  -0.11250  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    74  -0.11250  1.0 3.0
   71    70    74    75   0.00000  1.0 1.0
   71    70    74    76   0.00000  1.0 1.0
   72    70    74    75   0.00000  1.0 1.0
   72    70    74    76   0.00000  1.0 1.0
   58    52    57    62   3.62500 -1.0 2.0
   58    52    57    63   3.62500 -1.0 2.0
   38    33    37    40  -1.35150  1.0 1.0
   38    33    37    40   0.13900 -1.0 2.0
   38    33    37    40   0.25250  1.0 3.0
   38    33    37    42  -0.28300  1.0 1.0
   38    33    37    42   0.26700 -1.0 2.0
   38    33    37    42  -0.63300  1.0 3.0
   38    33    50    47  -0.98800  1.0 1.0
   38    33    50    47   0.48800 -1.0 2.0
   38    33    50    47   0.76800  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    53   0.34400  1.0 1.0
   38    33    50    53   0.09450 -1.0 2.0
   38    33    50    53   0.11100  1.0 3.0
   39    38    44    45   7.00000 -1.0 2.0
   39    38    44    46   7.00000 -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    40    37    42   1.10000 -1.0 2.0
   41    47    40    37   1.00000 -1.0 2.0
   40    50    47    48  10.50000 -1.0 2.0
   49    43    42    37   1.10000 -1.0 2.0
   52    66    49    42   4.00000 -1.0 2.0
   57    58    52    49   4.00000 -1.0 2.0
   62    63    57    52   4.00000 -1.0 2.0
   68    66    62    57   4.00000 -1.0 2.0
   67    49    66    62   1.00000 -1.0 2.0
   62    69    68    73   1.10000 -1.0 2.0
   77    90    73    68   1.10000 -1.0 2.0
   73    79    77    78   1.10000 -1.0 2.0
   82    83    78    77   1.10000 -1.0 2.0
   78    91    82    90  10.50000 -1.0 2.0
   97   101    99   100   1.10000 -1.0 2.0
  105   107   100    99   1.10000 -1.0 2.0
  100   109   105   106  10.50000 -1.0 2.0
  110   105   109    97   1.00000 -1.0 2.0
  100   108   107   111  15.00000 -1.0 2.0
  112   113   111   107  15.00000 -1.0 2.0
   95    87    94    96  10.50000 -1.0 2.0
   75    70    74    76  10.50000 -1.0 2.0
   33    39    38    44  15.00000 -1.0 2.0
   45    46    44    38  15.00000 -1.0 2.0
END
