* LIGAND DATABASE FILE (OPLS2005)
*
001     107   109    199    289     573
    1     0 S   NP   _N1_     1    28.54544    94.71463   -20.68209
    2     1 S   H    _HN1     2     1.02833    32.52022   145.27795
    3     1 S   H    _H1_     3     1.02775    86.07737   -81.76906
    4     1 S   H    _H2_     4     1.02964    92.27835    26.46837
    5     1 S   CT   _CA1     5     1.50136   142.94498   155.56315
    6     5 S   HC   _HA1     6     1.09569   105.23332    53.23892
    7     5 S   CO3  _C1_     7     1.53810   112.46852   -66.98237
    8     7 S   O2Z  _O11     8     1.26355   115.00186   -40.47489
    9     7 S   O2Z  _O12     9     1.26238   114.98058   138.77211
   10     5 S   CT   _CB1    10     1.53102   107.41438   171.24545
   11    10 S   HC   HB11    11     1.09820   109.39626   -49.82889
   12    10 S   HC   HB12    12     1.09830   110.35007    66.75350
   13    10 S   CT   _CG1    13     1.52998   112.70432  -170.95237
   14    13 S   HC   HG11    14     1.09600   110.33121   -62.81444
   15    13 S   HC   HG12    15     1.09638   110.10242    56.43969
   16    13 S   C    _CD1    16     1.51804   112.32251   176.81765
   17    16 S   O    _OE1    17     1.22714   123.27331    -6.07690
   18    16 S   N    _N2_    18     1.38628   111.58979   174.04421
   19    18 S   H    _HN2    19     1.01584   119.00371     1.99508
   20    18 S   CT1  _CA2    20     1.46287   123.42954  -177.08570
   21    20 S   HC   _HA2    21     1.09729   109.39374   -13.22377
   22    20 S   C    _C2_    22     1.53384   108.36784  -129.05295
   23    22 S   O    _O2_    23     1.23007   122.25323  -145.72246
   24    20 S   CT   _CB2    32     1.53484   111.14469   108.79194
   25    24 S   HC   HB21    33     1.09576   109.46890    55.76283
   26    24 S   HC   HB22    34     1.09484   110.66210   174.57306
   27    22 S   N    _N3_    24     1.38511   113.33441    41.60221
   28    27 S   H    _HN3    25     1.01532   118.89407    -0.63489
   29    24 S   S    _SG2    35     1.82749   111.46232   -65.76393
   30    27 S   CT   _CA3    26     1.45459   123.52309   175.20858
   31    30 S   HC   HA31    27     1.09517   109.32694    22.41612
   32    30 S   HC   HA32    28     1.09498   107.09193   139.43007
   33    29 S   CT   _C11    36     1.82756   100.05677   150.23608
   34    33 S   HC   _H7_    37     1.09691   107.54168   -47.83463
   35    30 S   CO3  _C3_    29     1.52922   113.08485  -101.13110
   36    35 S   O2Z  _O31    30     1.26406   115.39628   -44.52687
   37    35 S   O2Z  _O32    31     1.26354   114.99047   136.41520
   38    33 S   CT   _C10    38     1.53846   111.05613  -168.62379
   39    38 S   HC   _H6_    39     1.09733   111.31174   -30.91169
   40    33 S   CT   _C12    50     1.52662   112.94347    75.99301
   41    40 S   HC   _H8_    51     1.09649   112.03678    44.30739
   42    38 S   CT   _C9_    40     1.55375   105.90721  -150.73184
   43    42 S   HC   _H5_    41     1.09806   111.23135  -113.55126
   44    40 S   OH   _O34    52     1.41812   112.56225   -78.25990
   45    44 S   HO   _H18    53     0.97239   108.51006   -54.01767
   46    38 S   OS   _O35   101     1.44182   109.64246    92.30402
   47    42 S   CM   _C5_    42     1.51402   111.83780   125.98496
   48    46 S   CO4  _C13   102     1.36218   117.95123  -103.78867
   49    48 S   O    _O36   103     1.22301   126.66932    -1.11329
   50    47 S   CM   _C6_    43     1.34148   120.93778  -116.36843
   51    50 S   HC   _H17    44     1.08192   123.86646   175.20973
   52    47 S   CT   _C4_    97     1.50127   117.62233    63.85036
   53    52 S   HC   _H14    98     1.09370   111.20622   -64.68998
   54    52 S   HC   _H15    99     1.09536   111.85845   175.01524
   55    52 S   HC   _H16   100     1.09492   110.10433    55.60782
   56    48 S   CT   _C14   104     1.49841   109.45864   177.99924
   57    56 S   HC   _H19   105     1.09260   109.71829   -71.20399
   58    56 S   HC   _H20   106     1.09356   109.27431   169.11734
   59    56 S   HC   _H21   107     1.09325   110.01462    50.68435
   60    50 S   OS   _O33    45     1.36942   126.02337    -4.19213
   61    60 S   CO   _C7_    46     1.43563   113.91570   -22.30079
   62    61 S   HC   _H3_    47     1.09651   107.47078   169.40874
   63    42 S   CT   _C8_    48     1.54394   104.79906     4.02117
   64    63 S   HC   _H4_    49     1.10038   108.27216   -93.02466
   65    61 S   OS   _O37    54     1.43469   112.10859   -71.26592
   66    65 S   CO   _C15    55     1.43073   113.42889   -68.17980
   67    66 S   HC   _H9_    56     1.09793   109.24186    44.15396
   68    66 S   CT   _C16    57     1.53482   107.22638   163.07874
   69    68 S   HC   _H10    58     1.09807   110.64767    52.60957
   70    68 S   CT   _C17    59     1.53354   111.06502   173.84872
   71    70 S   HC   _H11    60     1.09792   111.02777    72.21568
   72    68 S   OS   _O45    90     1.44836   108.50964   -68.07522
   73    70 S   CT   _C18    61     1.53403   110.83671   -49.74605
   74    73 S   HC   _H12    62     1.09783   108.98566   -69.32132
   75    70 S   OS   _O43    83     1.44904   108.42701  -167.60923
   76    72 S   CO4  _C27    91     1.36198   118.12585    96.89871
   77    76 S   O    _O46    92     1.22294   126.66952     1.33193
   78    73 S   CT   _C19    63     1.53456   110.02374    51.45198
   79    78 S   HC   _H13    64     1.09844   110.41876    62.42231
   80    73 S   OS   _O41    76     1.44462   108.89534   169.75502
   81    75 S   CO4  _C25    84     1.36168   118.15388   -96.86159
   82    81 S   O    _O44    85     1.22293   126.60300    -0.01978
   83    76 S   CT   _C28    93     1.49835   109.36157  -179.02763
   84    83 S   HC   _H33    94     1.09277   109.77660   -64.51823
   85    83 S   HC   _H34    95     1.09377   109.35879   176.19049
   86    83 S   HC   _H35    96     1.09302   109.88339    57.37150
   87    66 S   OS   _O38    65     1.42790   110.12372   -76.68121
   88    78 S   CT   _C20    66     1.53311   112.73431  -177.89904
   89    88 S   HC   _H22    67     1.09603   110.21726   -66.33741
   90    88 S   HC   _H23    68     1.09627   109.78833   172.92127
   91    80 S   CO4  _C23    77     1.36245   117.85461    98.27606
   92    91 S   O    _O42    78     1.22291   126.63007     0.28462
   93    81 S   CT   _C26    86     1.49834   109.38131   179.97202
   94    93 S   HC   _H30    87     1.09289   109.81091   -61.42148
   95    93 S   HC   _H31    88     1.09377   109.36946   179.51061
   96    93 S   HC   _H32    89     1.09298   109.81958    60.48394
   97    88 S   OS   _O39    69     1.43813   109.68846    54.11098
   98    91 S   CT   _C24    79     1.49838   109.39285  -179.68102
   99    98 S   HC   _H27    80     1.09293   109.82653   -60.66804
  100    98 S   HC   _H28    81     1.09378   109.36666  -179.69868
  101    98 S   HC   _H29    82     1.09290   109.81229    61.25174
  102    97 S   CO4  _C21    70     1.36213   115.61057  -175.79495
  103   102 S   O    _O40    71     1.22327   126.24500    -0.37534
  104   102 S   CT   _C22    72     1.49826   109.56597   179.55281
  105   104 S   HC   _H24    73     1.09295   109.81350   -60.84493
  106   104 S   HC   _H25    74     1.09378   109.36414  -179.88465
  107   104 S   HC   _H26    75     1.09289   109.83452    61.05359
  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
  15   8   2   1   1  16   7  13   6  17   7   4   1   8  10   5
   4  10   3   5   2   1   1   3   2   1   1   6   8   4   3   1
   8  13   6  14   7  15   7   9  14   7   8   5   4   9   6   8
   5   4   3   2   1   1   4   6   3   2   5   4   3   2   1   1
   6   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    63    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    61    63    64    40    41    44    45    46    48  
   38    39    42    63    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    47    50    61    63    64    40    41    44    52    46    48    49    56  
   42    43    47    63    40    46    48  
   41    44    45    65    46    42    43    47    60    61    62    63    64  
   44    45    42    61    63    64  
   43    47    50    51    60    61    62    63    64    44    65    52    53    54    55    46    48  
   47    50    61    63    64    52    46  
   45    61    63    64  
   63  
   48    49    56    57    58    59    47    63  
   50    51    60    61    63    64    52    53    54    55  
   49    56    57    58    59  
   56    57    58    59  
   51    60    61    62    63    65    52    53    54    55  
   60    61    52  
   53    54    55    60    63  
   54    55  
   55  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64    65    66    67    68    87  
   63    64    65    66  
   64    65    66  
   65  
   66    67    68    69    70    78    87    72  
   67    68    69    70    71    73    78    79    87    88    75    72    76  
   68    69    70    78    87    72  
   69    70    71    73    74    78    87    80    75    81    72    76    77    83  
   70    71    73    87    75    72    76  
   71    73    74    78    79    87    88    80    91    75    81    82    93    72    76  
   73    74    78    80    75    81    72  
   76    77    83    84    85    86    73    75    87  
   74    78    79    87    88    89    90    97    80    91    92    98    75    81  
   78    79    87    88    80    91    75  
   81    82    93    94    95    96    78    80  
   77    83    84    85    86  
   83    84    85    86  
   79    87    88    89    90    97   102    80    91  
   87    88    89    90    97    80  
   91    92    98    99   100   101    87    88  
   82    93    94    95    96  
   93    94    95    96  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    97  
   89    90    97   102   103   104  
   90    97   102  
   97   102  
   92    98    99   100   101  
   98    99   100   101  
   94    95    96  
   95    96  
   96  
    0  
  102   103   104   105   106   107  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107  
  106   107  
  107  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    46   320.000  1.410
   42    43   340.000  1.090
   42    47   317.000  1.510
   42    63   268.000  1.529
   47    50   549.000  1.340
   47    52   317.000  1.510
   50    51   340.000  1.080
   50    60   440.000  1.360
   60    61   320.000  1.380
   61    62   340.000  1.090
   61    63   250.000  1.527
   61    65   320.000  1.380
   63    64   340.000  1.090
   63    40   268.000  1.529
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    45   553.000  0.945
   65    66   320.000  1.380
   66    67   340.000  1.090
   66    68   250.000  1.527
   66    87   320.000  1.380
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   70    73   268.000  1.529
   70    75   320.000  1.410
   73    74   340.000  1.090
   73    78   268.000  1.529
   73    80   320.000  1.410
   78    79   340.000  1.090
   78    87   320.000  1.410
   78    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    97   320.000  1.410
   97   102   214.000  1.327
  102   103   570.000  1.229
  102   104   317.000  1.522
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   80    91   214.000  1.327
   91    92   570.000  1.229
   91    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   75    81   214.000  1.327
   81    82   570.000  1.229
   81    93   317.000  1.522
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   72    76   214.000  1.327
   76    77   570.000  1.229
   76    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   46    48   214.000  1.327
   48    49   570.000  1.229
   48    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    46    50.00000  109.50000
   33    40    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    47    70.00000  112.02700
   38    42    63    58.35000  112.70000
   38    46    48    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    47    50    70.00000  124.00000
   42    47    52    65.00000  117.92700
   42    63    61    75.00000  109.43000
   42    63    64    37.50000  110.70000
   42    63    40    58.35000  112.70000
   47    42    43    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    60    80.00000  120.01400
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    35.00000  109.50000
   50    60    61    85.00000  113.97000
   60    50    51    55.00000  109.52600
   60    61    62    35.00000  109.50000
   60    61    63    90.00000  108.56700
   60    61    65    92.60000  111.55000
   61    63    64    45.00000  108.72000
   61    63    40    75.00000  109.43000
   61    65    66   100.00000  109.58800
   63    42    43    37.50000  110.70000
   63    42    47    70.00000  112.02700
   63    61    62    45.00000  112.01100
   63    40    41    37.50000  110.70000
   63    40    44    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    63    64    37.50000  110.70000
   40    44    45    55.00000  108.50000
   44    40    41    35.00000  109.50000
   65    61    62    35.00000  109.50000
   65    61    63    90.00000  108.56700
   65    66    67    35.00000  109.50000
   65    66    68    90.00000  108.56700
   65    66    87    92.60000  111.55000
   66    68    69    45.00000  108.72000
   66    68    70    75.00000  109.43000
   66    68    72    90.00000  109.38000
   66    87    78    60.00000  109.50000
   68    66    67    45.00000  112.01100
   68    70    71    37.50000  110.70000
   68    70    73    58.35000  112.70000
   68    70    75    50.00000  109.50000
   68    72    76    83.00000  116.90000
   70    68    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    78    58.35000  112.70000
   70    73    80    50.00000  109.50000
   70    75    81    83.00000  116.90000
   73    70    71    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    87    50.00000  109.50000
   73    78    88    58.35000  112.70000
   73    80    91    83.00000  116.90000
   78    73    74    37.50000  110.70000
   78    88    89    37.50000  110.70000
   78    88    90    37.50000  110.70000
   78    88    97    50.00000  109.50000
   87    66    67    35.00000  109.50000
   87    66    68    90.00000  108.56700
   87    78    79    35.00000  109.50000
   88    78    79    37.50000  110.70000
   88    78    87    50.00000  109.50000
   88    97   102    83.00000  116.90000
   90    88    89    33.00000  107.80000
   97    88    89    35.00000  109.50000
   97    88    90    35.00000  109.50000
   97   102   103    83.00000  123.40000
   97   102   104    81.00000  111.40000
  102   104   105    35.00000  109.50000
  102   104   106    35.00000  109.50000
  102   104   107    35.00000  109.50000
  104   102   103    80.00000  120.40000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   80    73    74    35.00000  109.50000
   80    73    78    50.00000  109.50000
   80    91    92    83.00000  123.40000
   80    91    98    81.00000  111.40000
   91    98    99    35.00000  109.50000
   91    98   100    35.00000  109.50000
   91    98   101    35.00000  109.50000
   98    91    92    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    73    50.00000  109.50000
   75    81    82    83.00000  123.40000
   75    81    93    81.00000  111.40000
   81    93    94    35.00000  109.50000
   81    93    95    35.00000  109.50000
   81    93    96    35.00000  109.50000
   93    81    82    80.00000  120.40000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   72    76    77    83.00000  123.40000
   72    76    83    81.00000  111.40000
   76    83    84    35.00000  109.50000
   76    83    85    35.00000  109.50000
   76    83    86    35.00000  109.50000
   83    76    77    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   52    47    50    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   46    38    39    35.00000  109.50000
   46    38    42    50.00000  109.50000
   46    48    49    83.00000  123.40000
   46    48    56    81.00000  111.40000
   48    56    57    35.00000  109.50000
   48    56    58    35.00000  109.50000
   48    56    59    35.00000  109.50000
   56    48    49    80.00000  120.40000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  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    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    63   0.44750  1.0 1.0
   29    33    40    63  -0.17800 -1.0 2.0
   29    33    40    63   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    47   0.34400  1.0 1.0
   33    38    42    47   0.09450 -1.0 2.0
   33    38    42    47   0.11100  1.0 3.0
   33    38   -42    63   0.56750  1.0 1.0
   33    38   -42    63  -0.07550 -1.0 2.0
   33    38   -42    63   0.20000  1.0 3.0
   33    38    46    48  -0.25900  1.0 1.0
   33    38    46    48  -0.47000 -1.0 2.0
   33    38    46    48   0.11750  1.0 3.0
   33    40    44    45  -0.11600  1.0 1.0
   33    40    44    45  -0.09450 -1.0 2.0
   33    40    44    45   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    46   0.23400  1.0 3.0
   34    33    40    63   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.23400  1.0 3.0
   38    33   -40    63   0.56750  1.0 1.0
   38    33   -40    63  -0.07550 -1.0 2.0
   38    33   -40    63   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.86500  1.0 1.0
   38    33    40    44  -0.17500 -1.0 2.0
   38    33    40    44   0.20800  1.0 3.0
   38    42    47    50   0.09850  1.0 1.0
   38    42    47    50   0.15250 -1.0 2.0
   38    42    47    50  -0.50650  1.0 3.0
   38    42    47    52   0.46850  1.0 1.0
   38    42    47    52   0.08550 -1.0 2.0
   38    42    47    52   0.09800  1.0 3.0
   38    42    63    61   3.97050  1.0 1.0
   38    42    63    64   0.15000  1.0 3.0
   38    42   -63    40   0.56750  1.0 1.0
   38    42   -63    40  -0.07550 -1.0 2.0
   38    42   -63    40   0.20000  1.0 3.0
   38    46    48    49   3.00000 -1.0 2.0
   38    46    48    56   1.63150  1.0 1.0
   38    46    48    56   2.92000 -1.0 2.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   39    38    42    63   0.15000  1.0 3.0
   39    38    46    48   0.08050  1.0 3.0
   42    38    46    48  -0.25900  1.0 1.0
   42    38    46    48  -0.47000 -1.0 2.0
   42    38    46    48   0.11750  1.0 3.0
   42    47    50    51   7.00000 -1.0 2.0
   42    47    50    60   7.00000 -1.0 2.0
   42    47    52    53   0.34800  1.0 3.0
   42    47    52    54   0.34800  1.0 3.0
   42    47    52    55   0.34800  1.0 3.0
   42    63   -40    33   0.56750  1.0 1.0
   42    63   -40    33  -0.07550 -1.0 2.0
   42    63   -40    33   0.20000  1.0 3.0
   42    63    40    41   0.15000  1.0 3.0
   42    63    40    44   0.86500  1.0 1.0
   42    63    40    44  -0.17500 -1.0 2.0
   42    63    40    44   0.20800  1.0 3.0
   43    42    47    50   0.00000  1.0 1.0
   43    42    47    52   0.34800  1.0 3.0
   43    42    63    61   0.15000  1.0 3.0
   43    42    63    64   0.15000  1.0 3.0
   43    42    63    40   0.15000  1.0 3.0
   47    42    63    61   0.34400  1.0 1.0
   47    42    63    61   0.09450 -1.0 2.0
   47    42    63    61   0.11100  1.0 3.0
   47    42    63    64   0.15000  1.0 3.0
   47    42    63    40   0.34400  1.0 1.0
   47    42    63    40   0.09450 -1.0 2.0
   47    42    63    40   0.11100  1.0 3.0
   47    50   -60    61  -2.26850  1.0 1.0
   47    50   -60    61   3.39050 -1.0 2.0
   50    47    52    53   0.00000  1.0 1.0
   50    47    52    54   0.00000  1.0 1.0
   50    47    52    55   0.00000  1.0 1.0
   50    60    61    62   0.08050  1.0 3.0
   50    60    61    63  -0.46850  1.0 1.0
   50    60    61    63   0.09300 -1.0 2.0
   50    60    61    63  -0.12850  1.0 3.0
   50    60    61    65  -0.48150  1.0 1.0
   50    60    61    65   0.09250 -1.0 2.0
   50    60    61    65  -0.12850  1.0 3.0
   51    50    60    61   0.50000 -1.0 2.0
   60    61   -63    42   0.62750  1.0 1.0
   60    61   -63    42  -0.30950 -1.0 2.0
   60    61   -63    42   0.27300  1.0 3.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    40   0.62750  1.0 1.0
   60    61    63    40  -0.30950 -1.0 2.0
   60    61    63    40   0.27300  1.0 3.0
   60    61    65    66  -0.53350  1.0 1.0
   60    61    65    66  -0.78350 -1.0 2.0
   60    61    65    66   0.33750  1.0 3.0
   61    63    40    33   3.97050  1.0 1.0
   61    63    40    41   0.15000  1.0 3.0
   61    63    40    44   0.86500  1.0 1.0
   61    63    40    44  -0.17500 -1.0 2.0
   61    63    40    44   0.20800  1.0 3.0
   61    65    66    67   0.37050  1.0 3.0
   61    65    66    68   0.06250  1.0 1.0
   61    65    66    68  -0.01100 -1.0 2.0
   61    65    66    68   0.28050  1.0 3.0
   61    65    66    87  -0.53350  1.0 1.0
   61    65    66    87  -0.78350 -1.0 2.0
   61    65    66    87   0.33750  1.0 3.0
   62    61    63    42   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    40   0.15000  1.0 3.0
   62    61    65    66   0.37050  1.0 3.0
   63    42   -47    50   0.09850  1.0 1.0
   63    42   -47    50   0.15250 -1.0 2.0
   63    42   -47    50  -0.50650  1.0 3.0
   63    42    47    52   0.46850  1.0 1.0
   63    42    47    52   0.08550 -1.0 2.0
   63    42    47    52   0.09800  1.0 3.0
   63    61    65    66   0.06250  1.0 1.0
   63    61    65    66  -0.01100 -1.0 2.0
   63    61    65    66   0.28050  1.0 3.0
   63    40    44    45  -0.11600  1.0 1.0
   63    40    44    45  -0.09450 -1.0 2.0
   63    40    44    45   0.21250  1.0 3.0
   64    63    40    33   0.15000  1.0 3.0
   64    63    40    41   0.15000  1.0 3.0
   64    63    40    44   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.56750  1.0 1.0
   40    33   -38    42  -0.07550 -1.0 2.0
   40    33   -38    42   0.20000  1.0 3.0
   40    33    38    46   0.62750  1.0 1.0
   40    33    38    46  -0.30950 -1.0 2.0
   40    33    38    46   0.27300  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   65    61    63    42   0.62750  1.0 1.0
   65    61    63    42  -0.30950 -1.0 2.0
   65    61    63    42   0.27300  1.0 3.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    40   0.62750  1.0 1.0
   65    61    63    40  -0.30950 -1.0 2.0
   65    61    63    40   0.27300  1.0 3.0
   65    66    68    69   0.23400  1.0 3.0
   65    66    68    70   0.62750  1.0 1.0
   65    66    68    70  -0.30950 -1.0 2.0
   65    66    68    70   0.27300  1.0 3.0
   65    66    68    72   1.11900  1.0 1.0
   65    66    68    72  -1.16350 -1.0 2.0
   65    66    68    72  -0.34150  1.0 3.0
   65    66    87    78  -0.81800  1.0 1.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    73   3.97050  1.0 1.0
   66    68    70    75   0.62750  1.0 1.0
   66    68    70    75  -0.30950 -1.0 2.0
   66    68    70    75   0.27300  1.0 3.0
   66    68    72    76  -0.25900  1.0 1.0
   66    68    72    76  -0.47000 -1.0 2.0
   66    68    72    76   0.11750  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    72   0.23400  1.0 3.0
   67    66    87    78   0.37050  1.0 3.0
   68    66    87    78   0.06250  1.0 1.0
   68    66    87    78  -0.01100 -1.0 2.0
   68    66    87    78   0.28050  1.0 3.0
   68    70    73    74   0.15000  1.0 3.0
   68    70   -73    78   0.56750  1.0 1.0
   68    70   -73    78  -0.07550 -1.0 2.0
   68    70   -73    78   0.20000  1.0 3.0
   68    70    73    80   0.62750  1.0 1.0
   68    70    73    80  -0.30950 -1.0 2.0
   68    70    73    80   0.27300  1.0 3.0
   68    70    75    81  -0.25900  1.0 1.0
   68    70    75    81  -0.47000 -1.0 2.0
   68    70    75    81   0.11750  1.0 3.0
   68    72    76    77   3.00000 -1.0 2.0
   68    72    76    83   1.63150  1.0 1.0
   68    72    76    83   2.92000 -1.0 2.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   69    68    70    75   0.23400  1.0 3.0
   69    68    72    76   0.08050  1.0 3.0
   70    68    72    76  -0.25900  1.0 1.0
   70    68    72    76  -0.47000 -1.0 2.0
   70    68    72    76   0.11750  1.0 3.0
   70    73    78    79   0.15000  1.0 3.0
   70    73    78    87   0.62750  1.0 1.0
   70    73    78    87  -0.30950 -1.0 2.0
   70    73    78    87   0.27300  1.0 3.0
   70    73    78    88   0.56750  1.0 1.0
   70    73    78    88  -0.07550 -1.0 2.0
   70    73    78    88   0.20000  1.0 3.0
   70    73    80    91  -0.25900  1.0 1.0
   70    73    80    91  -0.47000 -1.0 2.0
   70    73    80    91   0.11750  1.0 3.0
   70    75    81    82   3.00000 -1.0 2.0
   70    75    81    93   1.63150  1.0 1.0
   70    75    81    93   2.92000 -1.0 2.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    78   0.15000  1.0 3.0
   71    70    73    80   0.23400  1.0 3.0
   71    70    75    81   0.08050  1.0 3.0
   73    70    75    81  -0.25900  1.0 1.0
   73    70    75    81  -0.47000 -1.0 2.0
   73    70    75    81   0.11750  1.0 3.0
   73    78   -87    66   0.06250  1.0 1.0
   73    78   -87    66  -0.01100 -1.0 2.0
   73    78   -87    66   0.28050  1.0 3.0
   73    78    88    89   0.15000  1.0 3.0
   73    78    88    90   0.15000  1.0 3.0
   73    78    88    97   0.62750  1.0 1.0
   73    78    88    97  -0.30950 -1.0 2.0
   73    78    88    97   0.27300  1.0 3.0
   73    80    91    92   3.00000 -1.0 2.0
   73    80    91    98   1.63150  1.0 1.0
   73    80    91    98   2.92000 -1.0 2.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    87   0.23400  1.0 3.0
   74    73    78    88   0.15000  1.0 3.0
   74    73    80    91   0.08050  1.0 3.0
   78    73    80    91  -0.25900  1.0 1.0
   78    73    80    91  -0.47000 -1.0 2.0
   78    73    80    91   0.11750  1.0 3.0
   78    88    97   102  -0.25900  1.0 1.0
   78    88    97   102  -0.47000 -1.0 2.0
   78    88    97   102   0.11750  1.0 3.0
   79    78    87    66   0.37050  1.0 3.0
   79    78    88    89   0.15000  1.0 3.0
   79    78    88    90   0.15000  1.0 3.0
   79    78    88    97   0.23400  1.0 3.0
   87    66    68    69   0.23400  1.0 3.0
   87    66   -68    70   0.62750  1.0 1.0
   87    66   -68    70  -0.30950 -1.0 2.0
   87    66   -68    70   0.27300  1.0 3.0
   87    66    68    72   1.11900  1.0 1.0
   87    66    68    72  -1.16350 -1.0 2.0
   87    66    68    72  -0.34150  1.0 3.0
   87    78    88    89   0.23400  1.0 3.0
   87    78    88    90   0.23400  1.0 3.0
   87    78    88    97   1.11900  1.0 1.0
   87    78    88    97  -1.16350 -1.0 2.0
   87    78    88    97  -0.34150  1.0 3.0
   88    78    87    66   0.06250  1.0 1.0
   88    78    87    66  -0.01100 -1.0 2.0
   88    78    87    66   0.28050  1.0 3.0
   88    97   102   103   3.00000 -1.0 2.0
   88    97   102   104   1.63150  1.0 1.0
   88    97   102   104   2.92000 -1.0 2.0
   89    88    97   102   0.08050  1.0 3.0
   90    88    97   102   0.08050  1.0 3.0
   97   102   104   105   0.00000  1.0 1.0
   97   102   104   106   0.00000  1.0 1.0
   97   102   104   107   0.00000  1.0 1.0
  103   102   104   105   0.00000  1.0 1.0
  103   102   104   106   0.00000  1.0 1.0
  103   102   104   107   0.00000  1.0 1.0
   80    73    78    79   0.23400  1.0 3.0
   80    73    78    87   1.11900  1.0 1.0
   80    73    78    87  -1.16350 -1.0 2.0
   80    73    78    87  -0.34150  1.0 3.0
   80    73    78    88   0.62750  1.0 1.0
   80    73    78    88  -0.30950 -1.0 2.0
   80    73    78    88   0.27300  1.0 3.0
   80    91    98    99   0.00000  1.0 1.0
   80    91    98   100   0.00000  1.0 1.0
   80    91    98   101   0.00000  1.0 1.0
   92    91    98    99   0.00000  1.0 1.0
   92    91    98   100   0.00000  1.0 1.0
   92    91    98   101   0.00000  1.0 1.0
   75    70    73    74   0.23400  1.0 3.0
   75    70    73    78   0.62750  1.0 1.0
   75    70    73    78  -0.30950 -1.0 2.0
   75    70    73    78   0.27300  1.0 3.0
   75    70    73    80   1.11900  1.0 1.0
   75    70    73    80  -1.16350 -1.0 2.0
   75    70    73    80  -0.34150  1.0 3.0
   75    81    93    94   0.00000  1.0 1.0
   75    81    93    95   0.00000  1.0 1.0
   75    81    93    96   0.00000  1.0 1.0
   82    81    93    94   0.00000  1.0 1.0
   82    81    93    95   0.00000  1.0 1.0
   82    81    93    96   0.00000  1.0 1.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    73   0.62750  1.0 1.0
   72    68    70    73  -0.30950 -1.0 2.0
   72    68    70    73   0.27300  1.0 3.0
   72    68    70    75   1.11900  1.0 1.0
   72    68    70    75  -1.16350 -1.0 2.0
   72    68    70    75  -0.34150  1.0 3.0
   72    76    83    84   0.00000  1.0 1.0
   72    76    83    85   0.00000  1.0 1.0
   72    76    83    86   0.00000  1.0 1.0
   77    76    83    84   0.00000  1.0 1.0
   77    76    83    85   0.00000  1.0 1.0
   77    76    83    86   0.00000  1.0 1.0
   52    47    50    51   7.00000 -1.0 2.0
   52    47    50    60   7.00000 -1.0 2.0
   46    38    42    43   0.23400  1.0 3.0
   46    38    42    47   0.61850  1.0 1.0
   46    38    42    47  -0.22750 -1.0 2.0
   46    38    42    47   0.15300  1.0 3.0
   46    38    42    63   0.62750  1.0 1.0
   46    38    42    63  -0.30950 -1.0 2.0
   46    38    42    63   0.27300  1.0 3.0
   46    48    56    57   0.00000  1.0 1.0
   46    48    56    58   0.00000  1.0 1.0
   46    48    56    59   0.00000  1.0 1.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    58   0.00000  1.0 1.0
   49    48    56    59   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    52    47    50   1.10000 -1.0 2.0
   60    51    50    47   1.10000 -1.0 2.0
   97   104   102   103  10.50000 -1.0 2.0
   80    98    91    92  10.50000 -1.0 2.0
   75    93    81    82  10.50000 -1.0 2.0
   72    83    76    77  10.50000 -1.0 2.0
   46    56    48    49  10.50000 -1.0 2.0
END
