* LIGAND DATABASE FILE (OPLS2005)
*
001     102   105    195    314     586
    1     0 S   NP   _N1_     1    29.86710   101.07095   -16.43698
    2     1 S   H    _HN1     2     1.02948    54.88048    22.15336
    3     1 S   H    _H1_     3     1.02827    82.97933   138.77865
    4     1 S   H    _H2_     4     1.02785    70.23010  -109.30777
    5     1 S   CT   _CA1     5     1.50132   163.39339    -7.79752
    6     5 S   HC   _HA1     6     1.09564   105.20369  -156.50219
    7     5 S   CO3  _C1_     7     1.53816   112.44555    83.17249
    8     7 S   O2Z  _O11     8     1.26391   114.99143   -40.92483
    9     7 S   O2Z  _O12     9     1.26222   115.00234   138.19148
   10     5 S   CT   _CB1    10     1.53075   107.41634   -38.36197
   11    10 S   HC   HB11    11     1.09833   109.53371   -47.84269
   12    10 S   HC   HB12    12     1.09819   110.36424    68.80844
   13    10 S   CT   _CG1    13     1.53000   112.61736  -168.74497
   14    13 S   HC   HG11    14     1.09586   110.66020   -64.09559
   15    13 S   HC   HG12    15     1.09658   109.81984    55.19073
   16    13 S   C    _CD1    16     1.51790   112.12456   175.79672
   17    16 S   O    _OE1    17     1.22741   123.24302     8.04015
   18    16 S   N    _N2_    18     1.38609   111.73930  -172.59557
   19    18 S   H    _HN2    19     1.01607   118.98991     2.09630
   20    18 S   CT1  _CA2    20     1.46253   123.38082  -179.45106
   21    20 S   HC   _HA2    21     1.09734   109.36691     1.42601
   22    20 S   C    _C2_    22     1.53412   108.87803  -114.35778
   23    22 S   O    _O2_    23     1.23059   122.21876  -148.24016
   24    20 S   CT   _CB2    32     1.53430   111.21443   123.17817
   25    24 S   HC   HB21    33     1.09386   109.39140    60.30394
   26    24 S   HC   HB22    34     1.09520   110.25615   178.50015
   27    22 S   N    _N3_    24     1.38318   113.69878    39.22453
   28    27 S   H    _HN3    25     1.01603   119.57429    -3.52592
   29    24 S   S    _SG2    35     1.83235   110.70456   -62.58331
   30    27 S   CT   _CA3    26     1.45287   123.15299   177.00866
   31    30 S   HC   HA31    27     1.09553   107.52418   -63.93350
   32    30 S   HC   HA32    28     1.09559   107.94959    52.47736
   33    29 S   CT   _C16    36     1.86864   103.02100   147.68100
   34    30 S   CO3  _C3_    29     1.52950   114.13505   174.46208
   35    34 S   O2Z  _O31    30     1.26370   116.08135    -0.73115
   36    34 S   O2Z  _O32    31     1.26434   114.40590   179.33090
   37    33 S   CO4  _C15    37     1.53013   104.97879   -56.71359
   38    37 S   O    _O35    38     1.22409   126.53686   -47.23092
   39    33 S   CT   _C17    61     1.56697   111.06776  -168.05163
   40    39 S   HC   _H23    62     1.09441   110.04816  -168.02640
   41    39 S   HC   _H24    63     1.09822   105.85428    82.65138
   42    37 S   OS   _O34    39     1.35333   110.53846   134.98110
   43    42 S   CO4  _C14    40     1.35294   111.68854    -8.96364
   44    43 S   O    _O33    41     1.22252   123.00929  -179.65170
   45    33 S   CT   _C13    42     1.55947   113.55099    53.13746
   46    45 S   HC   _H6_    43     1.09900   108.62071   -20.76734
   47    45 S   CT   _C12    44     1.56830   126.24925   105.19100
   48    47 S   OM   _O42    45     1.31694   111.17227    47.82287
   49    47 S   HC   _H5_    46     1.10385   102.42277   171.47695
   50    47 S   CT   _C11    47     1.57568   114.65129   -80.29065
   51    50 S   HC   _H4_    48     1.10270   102.80826   -67.46985
   52    50 S   CM   _C21    49     1.50996   118.88274    46.83906
   53    50 S   CT   _C10    80     1.56792   114.76731   179.21068
   54    53 S   HC   _H3_    81     1.09667   109.82968   -71.54046
   55    52 S   CM   _C20    50     1.33292   133.63508    47.24765
   56    53 S   CT   _C9_    82     1.53986   113.94958    51.51544
   57    56 S   HC   _H21    83     1.09732   109.33909    58.62263
   58    56 S   HC   _H22    84     1.09439   110.64114   -59.52904
   59    53 S   OH   _O43   101     1.43489   109.38000   172.08696
   60    59 S   HO   _H32   102     0.97302   107.63921   -59.93509
   61    55 S   CO4  _C23    51     1.46898   107.99275   178.05781
   62    61 S   O    _O38    52     1.21785   126.44001  -178.51615
   63    55 S   CT   _C19    56     1.48622   132.13497     0.54608
   64    63 S   HC   _H25    57     1.09011   111.67851    22.54186
   65    63 S   HC   _H26    58     1.09914   106.74259   135.18434
   66    56 S   CT   _C8_    85     1.53434   112.30723   179.13566
   67    66 S   HC   _H19    86     1.09629   110.07548   -60.94248
   68    66 S   HC   _H20    87     1.09674   109.45114    56.68518
   69    61 S   OS   _O37    53     1.34992   107.48636     1.56810
   70    63 S   CT   _C18    59     1.54759   113.63658  -104.65056
   71    70 S   HC   _H7_    60     1.09499   107.41025   -44.39534
   72    66 S   CT   _C7_    88     1.53030   111.23420   177.86522
   73    72 S   HC   _H17    89     1.09681   109.54778    58.60408
   74    72 S   HC   _H18    90     1.09681   109.58770   -58.69571
   75    52 S   CO4  _C22    54     1.47505   119.65553  -132.87707
   76    75 S   O    _O36    55     1.21833   126.54587     1.43586
   77    70 S   CT   _C24    64     1.56462   108.65682  -158.53948
   78    77 S   HC   _H8_    65     1.09781   109.42335    48.34559
   79    72 S   CT   _C6_    91     1.52956   111.32814   179.96574
   80    79 S   HC   _H15    92     1.09685   109.58061   -58.63486
   81    79 S   HC   _H16    93     1.09685   109.57234    58.63677
   82    77 S   CT   _C25    66     1.54554   115.92871   170.24633
   83    82 S   HC   _H9_    67     1.09799   109.60378    75.31298
   84    77 S   OH   _O41    78     1.43283   110.04212   -68.18806
   85    84 S   HO   _H31    79     0.97157   108.18388    61.47783
   86    79 S   CT   _C5_    94     1.52845   111.32882  -179.98022
   87    86 S   HC   _H13    95     1.09622   109.86753   -58.86674
   88    86 S   HC   _H14    96     1.09623   109.86492    58.86206
   89    82 S   CT   _C26    68     1.52630   113.83559   -49.69314
   90    89 S   HC   _H27    69     1.09487   110.32114    70.81828
   91    89 S   HC   _H28    70     1.09612   111.39515   -49.23144
   92    86 S   CT   _C4_    97     1.52036   111.49160   180.00000
   93    92 S   HC   _H10    98     1.09469   111.00032   -60.25045
   94    92 S   HC   _H11    99     1.09468   111.00104    60.26968
   95    92 S   HC   _H12   100     1.09449   110.26113  -180.00000
   96    89 S   CM   _C27    71     1.49136   109.43324  -169.38950
   97    96 S   HC   _H29    72     1.08568   118.39401  -153.68837
   98    96 S   CM   _C28    73     1.33607   121.83863    26.16108
   99    98 S   HC   _H30    74     1.08358   121.37713   179.55020
  100    98 S   CO4  _C29    75     1.47316   120.59135     4.25045
  101   100 S   O    _O39    76     1.22578   120.82537   168.18592
  102    82 S   OS   _O40    77     1.45590   106.83618  -170.68447
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  18   2   1   1  11   4  17   6   5   5   7   3   9   4  11   5
   4  16   7  14  12   6  11  11   6   5   2   1   8   3  10   4
   3   9   5   4   2   9   4   9   5   4   1   1  11   6   9   5
   4  12   7   3   1   6   5   4   8   5   4   3   2   1   1   6
   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    45    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    43    45    46    47    70    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    46    47    48    49    50    63    70    71    39    40    41    77  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    70    39    40    41  
   42    43    45    39  
   40    41    77    78    82    84    42    43    45    46    47    55    63    64    65    70    71  
   41    77    45    63    70    71  
   77    45    63    70    71  
   43    44    45    46    47  
   44    45    46    47    48    49    50  
   45    46    47  
   46    47    48    49    50    51    52    70    53  
   47    48    49    50  
   48    49    50    51    52    55    75    53    54    56    59  
   49    50    51    52    53  
   50    51    52    53  
   51    52    55    61    69    75    76    63    53    54    56    57    58    66    59    60  
   52    55    75    53    54    56    59  
   55    61    62    69    75    76    63    64    65    70    53    54    56    59  
   54    56    57    58    66    67    68    72    59    60    55    75  
   56    57    58    66    59    60  
   61    62    69    75    76    63    64    65    70    71    77  
   57    58    66    67    68    72    73    74    79    59    60  
   58    66    67    68    72    59  
   66    67    68    72    59  
   60    66  
    0  
   62    69    75    76    63    64    65    70  
   69    75    63  
   64    65    70    71    77    78    82    84    69    75  
   65    70    71    77  
   70    71    77  
   67    68    72    73    74    79    80    81    86  
   68    72    73    74    79  
   72    73    74    79  
   75    76  
   71    77    78    82    83    89   102    84    85  
   77    78    82    84  
   73    74    79    80    81    86    87    88    92  
   74    79    80    81    86  
   79    80    81    86  
   76  
    0  
   78    82    83    89    90    91    96   100   102    84    85  
   82    83    89   102    84    85  
   80    81    86    87    88    92    93    94    95  
   81    86    87    88    92  
   86    87    88    92  
   83    89    90    91    96    97    98   100   101   102    84    85  
   89    90    91    96   100   102    84  
   85    89   102  
    0  
   87    88    92    93    94    95  
   88    92    93    94    95  
   92    93    94    95  
   90    91    96    97    98    99   100   102  
   91    96    97    98   102  
   96    97    98   102  
   93    94    95  
   94    95  
   95  
    0  
   97    98    99   100   101   102  
   98    99   100  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.0000   0.1700  -0.160000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.160000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   99   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  100   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  102   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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  1.522
   33    45   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   214.000  1.327
   42    43   214.000  1.327
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   570.000  1.307
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    55   549.000  1.340
   52    75   320.000  1.462
   55    61   320.000  1.462
   55    63   317.000  1.510
   61    62   570.000  1.229
   61    69   214.000  1.327
   69    75   214.000  1.327
   75    76   570.000  1.229
   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    39   268.000  1.529
   70    77   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   77    78   340.000  1.090
   77    82   268.000  1.529
   77    84   320.000  1.410
   82    83   340.000  1.090
   82    89   268.000  1.529
   82   102   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    96   317.000  1.510
   96    97   340.000  1.080
   96    98   549.000  1.340
   98    99   340.000  1.080
   98   100   320.000  1.462
  100   101   570.000  1.229
  100   102   214.000  1.327
   84    85   553.000  0.945
   53    54   340.000  1.090
   53    56   268.000  1.529
   53    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   59    60   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    45    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    81.00000  111.40000
   33    45    43    63.00000  111.10000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   33    39    70    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43   105.00000  110.06700
   42    37    38    83.00000  123.40000
   42    43    44    83.00000  123.40000
   42    43    45    81.00000  111.40000
   43    45    46    35.00000  109.50000
   43    45    47    63.00000  111.10000
   45    33    37    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    47    48    50.00000  109.50000
   45    47    49    37.50000  110.70000
   45    47    50    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    70.00000  112.02700
   47    50    53    58.35000  112.70000
   49    47    48    45.00000  125.66300
   50    47    48    50.00000  109.50000
   50    47    49    37.50000  110.70000
   50    52    55    70.00000  124.00000
   50    52    75    65.00000  116.34900
   50    53    54    37.50000  110.70000
   50    53    56    58.35000  112.70000
   50    53    59    50.00000  109.50000
   52    50    51    35.00000  109.50000
   52    55    61    65.00000  118.96000
   52    55    63    70.00000  124.00000
   52    75    69    90.00000  111.29400
   52    75    76    80.00000  123.72100
   55    61    62    80.00000  123.72100
   55    61    69    90.00000  111.29400
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    70    70.00000  112.02700
   61    69    75   105.00000  110.06700
   69    61    62    83.00000  123.40000
   69    75    76    83.00000  123.40000
   75    52    55    65.00000  118.96000
   63    55    61    65.00000  116.34900
   63    70    71    37.50000  110.70000
   63    70    39    58.35000  112.70000
   63    70    77    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    39    40    37.50000  110.70000
   70    39    41    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    82    58.35000  112.70000
   70    77    84    50.00000  109.50000
   39    33    37    63.00000  111.10000
   39    33    45    58.35000  112.70000
   39    70    71    37.50000  110.70000
   41    39    40    33.00000  107.80000
   77    70    71    37.50000  110.70000
   77    70    39    58.35000  112.70000
   77    82    83    37.50000  110.70000
   77    82    89    58.35000  112.70000
   77    82   102    50.00000  109.50000
   77    84    85    55.00000  108.50000
   82    77    78    37.50000  110.70000
   82    89    90    37.50000  110.70000
   82    89    91    37.50000  110.70000
   82    89    96    70.00000  112.02700
   82   102   100    83.00000  116.90000
   89    82    83    37.50000  110.70000
   89    96    97    35.00000  117.00000
   89    96    98    70.00000  124.00000
   91    89    90    33.00000  107.80000
   96    89    90    35.00000  109.50000
   96    89    91    35.00000  109.50000
   96    98    99    35.00000  120.00000
   96    98   100    65.00000  118.96000
   98    96    97    35.00000  120.00000
   98   100   101    80.00000  123.72100
   98   100   102    90.00000  111.29400
  100    98    99    40.00000  117.72500
  102    82    83    35.00000  109.50000
  102    82    89    50.00000  109.50000
  102   100   101    83.00000  123.40000
   84    77    78    35.00000  109.50000
   84    77    82    50.00000  109.50000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.02700
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    66    58.35000  112.70000
   53    59    60    55.00000  108.50000
   56    53    54    37.50000  110.70000
   56    66    67    37.50000  110.70000
   56    66    68    37.50000  110.70000
   56    66    72    58.35000  112.70000
   58    56    57    33.00000  107.80000
   66    56    57    37.50000  110.70000
   66    56    58    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    79    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    86    58.35000  112.70000
   74    72    73    33.00000  107.80000
   79    72    73    37.50000  110.70000
   79    72    74    37.50000  110.70000
   79    86    87    37.50000  110.70000
   79    86    88    37.50000  110.70000
   79    86    92    58.35000  112.70000
   81    79    80    33.00000  107.80000
   86    79    80    37.50000  110.70000
   86    79    81    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    37.50000  110.70000
   88    86    87    33.00000  107.80000
   92    86    87    37.50000  110.70000
   92    86    88    37.50000  110.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   59    53    54    35.00000  109.50000
   59    53    56    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.40000  1.0 3.0
   29    33    45    43   0.56750  1.0 1.0
   29    33    45    43  -0.07550 -1.0 2.0
   29    33    45    43   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.44750  1.0 1.0
   29    33    45    47  -0.17800 -1.0 2.0
   29    33    45    47   0.20200  1.0 3.0
   29    33    39    70   0.44750  1.0 1.0
   29    33    39    70  -0.17800 -1.0 2.0
   29    33    39    70   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37   -42    43   2.00000 -1.0 2.0
   33    45    47    48   0.62750  1.0 1.0
   33    45    47    48  -0.30950 -1.0 2.0
   33    45    47    48   0.27300  1.0 3.0
   33    45    47    49   0.15000  1.0 3.0
   33    45    47    50   0.56750  1.0 1.0
   33    45    47    50  -0.07550 -1.0 2.0
   33    45    47    50   0.20000  1.0 3.0
   37    33   -45    43   0.11950  1.0 1.0
   37    33   -45    43   0.20300 -1.0 2.0
   37    33   -45    43  -0.70800  1.0 3.0
   37    33    45    46  -0.11250  1.0 3.0
   37    33    45    47  -0.95700  1.0 1.0
   37    33    45    47  -0.18200 -1.0 2.0
   37    33    45    47   0.29450  1.0 3.0
   37    33    39    70  -0.95700  1.0 1.0
   37    33    39    70  -0.18200 -1.0 2.0
   37    33    39    70   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    42    43    44   3.00000 -1.0 2.0
   37    42   -43    45   2.00000 -1.0 2.0
   38    37    42    43   3.00000 -1.0 2.0
   42    43   -45    33   0.36750  1.0 3.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.36750  1.0 3.0
   43    45    47    48  -0.09450  1.0 1.0
   43    45    47    48  -1.12950 -1.0 2.0
   43    45    47    48   0.54000  1.0 3.0
   43    45    47    49  -0.11250  1.0 3.0
   43    45    47    50  -0.95700  1.0 1.0
   43    45    47    50  -0.18200 -1.0 2.0
   43    45    47    50   0.29450  1.0 3.0
   44    43    45    33   0.30150 -1.0 2.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.30150 -1.0 2.0
   45    33    37    38   0.30150 -1.0 2.0
   45    33   -37    42   0.36750  1.0 3.0
   45    33    39    70   0.56750  1.0 1.0
   45    33    39    70  -0.07550 -1.0 2.0
   45    33    39    70   0.20000  1.0 3.0
   45    33    39    40   0.15000  1.0 3.0
   45    33    39    41   0.15000  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    52   0.34400  1.0 1.0
   45    47    50    52   0.09450 -1.0 2.0
   45    47    50    52   0.11100  1.0 3.0
   45    47    50    53   0.56750  1.0 1.0
   45    47    50    53  -0.07550 -1.0 2.0
   45    47    50    53   0.20000  1.0 3.0
   46    45    47    48   0.23400  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   47    50    52    55   0.09850  1.0 1.0
   47    50    52    55   0.15250 -1.0 2.0
   47    50    52    55  -0.50650  1.0 3.0
   47    50    52    75   0.09700  1.0 1.0
   47    50    52    75   0.15600 -1.0 2.0
   47    50    52    75  -0.50800  1.0 3.0
   47    50    53    54   0.15000  1.0 3.0
   47    50    53    56   0.56750  1.0 1.0
   47    50    53    56  -0.07550 -1.0 2.0
   47    50    53    56   0.20000  1.0 3.0
   47    50    53    59   0.86500  1.0 1.0
   47    50    53    59  -0.17500 -1.0 2.0
   47    50    53    59   0.20800  1.0 3.0
   48    47    50    51   0.23400  1.0 3.0
   48    47    50    52   0.61850  1.0 1.0
   48    47    50    52  -0.22750 -1.0 2.0
   48    47    50    52   0.15300  1.0 3.0
   48    47    50    53   0.62750  1.0 1.0
   48    47    50    53  -0.30950 -1.0 2.0
   48    47    50    53   0.27300  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    52    55    61   7.00000 -1.0 2.0
   50    52    55    63   7.00000 -1.0 2.0
   50    52    75    69  -0.15000  1.0 1.0
   50    52    75    69   0.89550 -1.0 2.0
   50    52    75    69  -0.06900  1.0 3.0
   50    52    75    76  -0.64400  1.0 1.0
   50    52    75    76   0.26850 -1.0 2.0
   50    53    56    57   0.15000  1.0 3.0
   50    53    56    58   0.15000  1.0 3.0
   50    53    56    66   0.56750  1.0 1.0
   50    53    56    66  -0.07550 -1.0 2.0
   50    53    56    66   0.20000  1.0 3.0
   50    53    59    60  -0.11600  1.0 1.0
   50    53    59    60  -0.09450 -1.0 2.0
   50    53    59    60   0.21250  1.0 3.0
   51    50    52    55   0.00000  1.0 1.0
   51    50    52    75   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    53    59   0.23400  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    56   0.34400  1.0 1.0
   52    50    53    56   0.09450 -1.0 2.0
   52    50    53    56   0.11100  1.0 3.0
   52    50    53    59   1.05650  1.0 1.0
   52    50    53    59   0.15600 -1.0 2.0
   52    50    53    59   0.53150  1.0 3.0
   52    55    61    62   1.00000 -1.0 2.0
   52    55   -61    69  -0.56150  1.0 1.0
   52    55   -61    69   2.19150 -1.0 2.0
   52    55    63    64   0.00000  1.0 1.0
   52    55    63    65   0.00000  1.0 1.0
   52    55    63    70   0.09850  1.0 1.0
   52    55    63    70   0.15250 -1.0 2.0
   52    55    63    70  -0.50650  1.0 3.0
   55    52   -75    69  -0.56150  1.0 1.0
   55    52   -75    69   2.19150 -1.0 2.0
   55    52    75    76   1.00000 -1.0 2.0
   55    61   -69    75   2.00000 -1.0 2.0
   55    63    70    71   0.15000  1.0 3.0
   55    63    70    39   0.34400  1.0 1.0
   55    63    70    39   0.09450 -1.0 2.0
   55    63    70    39   0.11100  1.0 3.0
   55    63    70    77   0.34400  1.0 1.0
   55    63    70    77   0.09450 -1.0 2.0
   55    63    70    77   0.11100  1.0 3.0
   61    55    63    64   0.15000  1.0 3.0
   61    55    63    65   0.15000  1.0 3.0
   61    55    63    70   0.09700  1.0 1.0
   61    55    63    70   0.15600 -1.0 2.0
   61    55    63    70  -0.50800  1.0 3.0
   61    69   -75    52   2.00000 -1.0 2.0
   61    69    75    76   3.00000 -1.0 2.0
   62    61    69    75   3.00000 -1.0 2.0
   75    52   -55    61   7.00000 -1.0 2.0
   75    52    55    63   7.00000 -1.0 2.0
   63    55    61    62  -0.64400  1.0 1.0
   63    55    61    62   0.26850 -1.0 2.0
   63    55    61    69  -0.15000  1.0 1.0
   63    55    61    69   0.89550 -1.0 2.0
   63    55    61    69  -0.06900  1.0 3.0
   63    70    39    33   0.56750  1.0 1.0
   63    70    39    33  -0.07550 -1.0 2.0
   63    70    39    33   0.20000  1.0 3.0
   63    70    39    40   0.15000  1.0 3.0
   63    70    39    41   0.15000  1.0 3.0
   63    70    77    78   0.15000  1.0 3.0
   63    70    77    82   0.56750  1.0 1.0
   63    70    77    82  -0.07550 -1.0 2.0
   63    70    77    82   0.20000  1.0 3.0
   63    70    77    84   0.86500  1.0 1.0
   63    70    77    84  -0.17500 -1.0 2.0
   63    70    77    84   0.20800  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    39   0.15000  1.0 3.0
   64    63    70    77   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    39   0.15000  1.0 3.0
   65    63    70    77   0.15000  1.0 3.0
   70    77    82    83   0.15000  1.0 3.0
   70    77    82    89   0.56750  1.0 1.0
   70    77    82    89  -0.07550 -1.0 2.0
   70    77    82    89   0.20000  1.0 3.0
   70    77    82   102   0.62750  1.0 1.0
   70    77    82   102  -0.30950 -1.0 2.0
   70    77    82   102   0.27300  1.0 3.0
   70    77    84    85  -0.11600  1.0 1.0
   70    77    84    85  -0.09450 -1.0 2.0
   70    77    84    85   0.21250  1.0 3.0
   71    70    39    33   0.15000  1.0 3.0
   71    70    39    40   0.15000  1.0 3.0
   71    70    39    41   0.15000  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    82   0.15000  1.0 3.0
   71    70    77    84   0.23400  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.36750  1.0 3.0
   39    33    45    43  -0.95700  1.0 1.0
   39    33    45    43  -0.18200 -1.0 2.0
   39    33    45    43   0.29450  1.0 3.0
   39    33    45    46   0.15000  1.0 3.0
   39    33    45    47   0.56750  1.0 1.0
   39    33    45    47  -0.07550 -1.0 2.0
   39    33    45    47   0.20000  1.0 3.0
   39    70    77    78   0.15000  1.0 3.0
   39    70    77    82   0.56750  1.0 1.0
   39    70    77    82  -0.07550 -1.0 2.0
   39    70    77    82   0.20000  1.0 3.0
   39    70    77    84   0.86500  1.0 1.0
   39    70    77    84  -0.17500 -1.0 2.0
   39    70    77    84   0.20800  1.0 3.0
   77    70    39    33   0.56750  1.0 1.0
   77    70    39    33  -0.07550 -1.0 2.0
   77    70    39    33   0.20000  1.0 3.0
   77    70    39    40   0.15000  1.0 3.0
   77    70    39    41   0.15000  1.0 3.0
   77    82    89    90   0.15000  1.0 3.0
   77    82    89    91   0.15000  1.0 3.0
   77    82    89    96   0.34400  1.0 1.0
   77    82    89    96   0.09450 -1.0 2.0
   77    82    89    96   0.11100  1.0 3.0
   77    82   102   100  -0.25900  1.0 1.0
   77    82   102   100  -0.47000 -1.0 2.0
   77    82   102   100   0.11750  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    89   0.15000  1.0 3.0
   78    77    82   102   0.23400  1.0 3.0
   78    77    84    85   0.19450  1.0 3.0
   82    77    84    85  -0.11600  1.0 1.0
   82    77    84    85  -0.09450 -1.0 2.0
   82    77    84    85   0.21250  1.0 3.0
   82    89    96    97   0.00000  1.0 1.0
   82    89    96    98   0.09850  1.0 1.0
   82    89    96    98   0.15250 -1.0 2.0
   82    89    96    98  -0.50650  1.0 3.0
   83    82    89    90   0.15000  1.0 3.0
   83    82    89    91   0.15000  1.0 3.0
   83    82    89    96   0.15000  1.0 3.0
   83    82   102   100   0.08050  1.0 3.0
   89    82   102   100  -0.25900  1.0 1.0
   89    82   102   100  -0.47000 -1.0 2.0
   89    82   102   100   0.11750  1.0 3.0
   89    96    98    99   7.00000 -1.0 2.0
   89    96   -98   100   7.00000 -1.0 2.0
   90    89    96    97   0.33100  1.0 3.0
   90    89    96    98   0.00000  1.0 1.0
   91    89    96    97   0.33100  1.0 3.0
   91    89    96    98   0.00000  1.0 1.0
   96    98   100   101   1.00000 -1.0 2.0
   96    98   100   102  -0.56150  1.0 1.0
   96    98   100   102   2.19150 -1.0 2.0
   97    96    98    99   7.00000 -1.0 2.0
   97    96    98   100   7.00000 -1.0 2.0
   98   100  -102    82   2.00000 -1.0 2.0
   99    98   100   101   0.00000  1.0 1.0
   99    98   100   102   1.63100 -1.0 2.0
  101   100   102    82   3.00000 -1.0 2.0
  102    82    89    90   0.23400  1.0 3.0
  102    82    89    91   0.23400  1.0 3.0
  102    82   -89    96   0.61850  1.0 1.0
  102    82   -89    96  -0.22750 -1.0 2.0
  102    82   -89    96   0.15300  1.0 3.0
   84    77    82    83   0.23400  1.0 3.0
   84    77    82    89   0.86500  1.0 1.0
   84    77    82    89  -0.17500 -1.0 2.0
   84    77    82    89   0.20800  1.0 3.0
   84    77    82   102   3.69350  1.0 1.0
   84    77    82   102  -1.82950 -1.0 2.0
   53    50    52    55   0.09850  1.0 1.0
   53    50    52    55   0.15250 -1.0 2.0
   53    50    52    55  -0.50650  1.0 3.0
   53    50    52    75   0.09700  1.0 1.0
   53    50    52    75   0.15600 -1.0 2.0
   53    50    52    75  -0.50800  1.0 3.0
   53    56    66    67   0.15000  1.0 3.0
   53    56    66    68   0.15000  1.0 3.0
   53    56    66    72   0.56750  1.0 1.0
   53    56    66    72  -0.07550 -1.0 2.0
   53    56    66    72   0.20000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    66   0.15000  1.0 3.0
   54    53    59    60   0.19450  1.0 3.0
   56    53    59    60  -0.11600  1.0 1.0
   56    53    59    60  -0.09450 -1.0 2.0
   56    53    59    60   0.21250  1.0 3.0
   56    66    72    73   0.15000  1.0 3.0
   56    66    72    74   0.15000  1.0 3.0
   56    66    72    79   0.56750  1.0 1.0
   56    66    72    79  -0.07550 -1.0 2.0
   56    66    72    79   0.20000  1.0 3.0
   57    56    66    67   0.15000  1.0 3.0
   57    56    66    68   0.15000  1.0 3.0
   57    56    66    72   0.15000  1.0 3.0
   58    56    66    67   0.15000  1.0 3.0
   58    56    66    68   0.15000  1.0 3.0
   58    56    66    72   0.15000  1.0 3.0
   66    72    79    80   0.15000  1.0 3.0
   66    72    79    81   0.15000  1.0 3.0
   66    72    79    86   0.56750  1.0 1.0
   66    72    79    86  -0.07550 -1.0 2.0
   66    72    79    86   0.20000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    79   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    79   0.15000  1.0 3.0
   72    79    86    87   0.15000  1.0 3.0
   72    79    86    88   0.15000  1.0 3.0
   72    79    86    92   0.56750  1.0 1.0
   72    79    86    92  -0.07550 -1.0 2.0
   72    79    86    92   0.20000  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    81   0.15000  1.0 3.0
   73    72    79    86   0.15000  1.0 3.0
   74    72    79    80   0.15000  1.0 3.0
   74    72    79    81   0.15000  1.0 3.0
   74    72    79    86   0.15000  1.0 3.0
   79    86    92    93   0.15000  1.0 3.0
   79    86    92    94   0.15000  1.0 3.0
   79    86    92    95   0.15000  1.0 3.0
   80    79    86    87   0.15000  1.0 3.0
   80    79    86    88   0.15000  1.0 3.0
   80    79    86    92   0.15000  1.0 3.0
   81    79    86    87   0.15000  1.0 3.0
   81    79    86    88   0.15000  1.0 3.0
   81    79    86    92   0.15000  1.0 3.0
   87    86    92    93   0.15000  1.0 3.0
   87    86    92    94   0.15000  1.0 3.0
   87    86    92    95   0.15000  1.0 3.0
   88    86    92    93   0.15000  1.0 3.0
   88    86    92    94   0.15000  1.0 3.0
   88    86    92    95   0.15000  1.0 3.0
   59    53    56    57   0.23400  1.0 3.0
   59    53    56    58   0.23400  1.0 3.0
   59    53    56    66   0.86500  1.0 1.0
   59    53    56    66  -0.17500 -1.0 2.0
   59    53    56    66   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   42    45    43    44  10.50000 -1.0 2.0
   50    75    52    55   1.10000 -1.0 2.0
   61    63    55    52   1.10000 -1.0 2.0
   55    69    61    62  10.50000 -1.0 2.0
   52    69    75    76  10.50000 -1.0 2.0
   89    97    96    98   1.10000 -1.0 2.0
  100    99    98    96   1.10000 -1.0 2.0
   98   102   100   101  10.50000 -1.0 2.0
END
