* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    201    324     589
    1     0 S   NP   _N1_     1    29.46732    95.20266   -27.82444
    2     1 S   H    _HN1     2     1.02828    41.80337  -155.16776
    3     1 S   H    _H1_     3     1.02787   123.56848   -76.06228
    4     1 S   H    _H2_     4     1.02949    65.38150    20.36570
    5     1 S   CT   _CA1     5     1.50114   122.60280   119.69747
    6     5 S   HC   _HA1     6     1.09573   105.18817   104.48781
    7     5 S   CO3  _C1_     7     1.53786   112.48142   -15.74120
    8     7 S   O2Z  _O11     8     1.26373   115.00589   -42.12188
    9     7 S   O2Z  _O12     9     1.26241   114.94702   137.00744
   10     5 S   CT   _CB1    10     1.53078   107.42122  -137.52246
   11    10 S   HC   HB11    11     1.09834   109.36597   -49.61847
   12    10 S   HC   HB12    12     1.09812   110.44973    66.99041
   13    10 S   CT   _CG1    13     1.52993   112.61022  -170.59038
   14    13 S   HC   HG11    14     1.09579   110.64580   -65.98075
   15    13 S   HC   HG12    15     1.09671   109.76900    53.25198
   16    13 S   C    _CD1    16     1.51801   112.20722   173.71082
   17    16 S   O    _OE1    17     1.22732   123.28207     7.79296
   18    16 S   N    _N2_    18     1.38658   111.69112  -172.30254
   19    18 S   H    _HN2    19     1.01579   118.92176     1.69766
   20    18 S   CT1  _CA2    20     1.46194   123.38095   177.23409
   21    20 S   HC   _HA2    21     1.09736   109.36719     3.43633
   22    20 S   C    _C2_    22     1.53572   108.60103  -112.03894
   23    22 S   O    _O2_    23     1.23062   122.26413  -147.68423
   24    20 S   CT   _CB2    32     1.53358   111.62306   125.47746
   25    24 S   HC   HB21    33     1.09585   110.06535    56.13923
   26    24 S   HC   HB22    34     1.09417   109.94021   175.17416
   27    22 S   N    _N3_    24     1.38323   113.72655    39.74582
   28    27 S   H    _HN3    25     1.01580   119.60426    -3.26039
   29    24 S   S    _SG2    35     1.82775   111.51537   -64.83459
   30    27 S   CT   _CA3    26     1.45290   123.23089   177.16710
   31    30 S   HC   HA31    27     1.09549   107.50418   -64.77673
   32    30 S   HC   HA32    28     1.09556   107.99544    51.66860
   33    29 S   CT   _C14    36     1.83764    99.79698   172.17582
   34    33 S   HC   _H3_    37     1.09612   107.26111   -46.11952
   35    30 S   CO3  _C3_    29     1.52967   114.06612   173.66763
   36    35 S   O2Z  _O31    30     1.26377   116.06592    -0.73860
   37    35 S   O2Z  _O32    31     1.26426   114.41574   179.32305
   38    33 S   CM   _C13    38     1.51004   107.50440  -163.73251
   39    38 S   HC   _H20    39     1.08899   117.22191   -61.28980
   40    33 S   CT   _C15    63     1.53558   110.76588    74.21911
   41    40 S   HC   _H21    64     1.09630   111.27069   -60.47647
   42    40 S   HC   _H22    65     1.09795   111.13302    58.65398
   43    38 S   CM   _C12    40     1.34251   123.15351   120.15372
   44    43 S   HC   _H19    41     1.08742   119.52314    -0.66352
   45    40 S   C    _C16    66     1.52238   112.18956   179.30846
   46    45 S   O    _O33    67     1.22806   120.47882  -112.41766
   47    43 S   CM   _C11    42     1.44471   123.32430   178.84360
   48    47 S   HC   _H18    43     1.08708   117.43406     1.16264
   49    45 S   N    _N4_    68     1.38848   112.33994    67.32452
   50    49 S   H    _H23    69     1.01835   117.07409     3.70274
   51    47 S   CM   _C10    44     1.34175   122.88702  -178.50106
   52    51 S   HC   _H17    45     1.08863   119.67049    -0.02798
   53    49 S   CM   _C17    70     1.38272   128.75424  -175.06565
   54    51 S   CT   _C7_    46     1.50933   123.78872   179.55943
   55    54 S   HC   _H12    47     1.09881   109.52831     2.17385
   56    53 S   CM   _C18    71     1.34414   125.84436    -0.95162
   57    56 S   HC   _H24    72     1.08611   119.68986    -1.30161
   58    54 S   CT   _C6_    48     1.53665   110.39151   120.97133
   59    58 S   HC   _H10    49     1.09826   110.15189    55.40023
   60    58 S   HC   _H11    50     1.09710   110.05358   -61.93633
   61    56 S   CT   _C19    73     1.51993   126.29794   176.44752
   62    58 S   CT   _C5_    51     1.52795   111.69643   176.60985
   63    62 S   HC   _H8_    52     1.09584   109.61869  -176.40071
   64    62 S   HC   _H9_    53     1.09696   109.40178    66.63440
   65    61 S   C3T  _C20    74     1.50726   114.23795    10.76673
   66    65 S   HC   _H4_    75     1.08151   114.86177  -164.75593
   67    61 S   CM   _C23    81     1.52240   107.90128  -117.13300
   68    67 S   HC   _H25    82     1.08997   115.69549   -80.51035
   69    61 S   OH   _O39   108     1.43552   107.87428   128.13362
   70    69 S   HO   _H36   109     0.97224   108.79054    47.80622
   71    62 S   CT   _C4_    54     1.52583   111.68157   -54.69961
   72    71 S   HC   _H6_    55     1.09576   109.73675   176.36536
   73    71 S   HC   _H7_    56     1.09677   109.39416   -66.58501
   74    65 S   C3T  _C21    76     1.49694   119.10322   -11.09904
   75    74 S   HC   _H5_    77     1.08371   117.23586  -149.00332
   76    67 S   CM   _C24    83     1.34354   125.80453    97.27612
   77    76 S   HC   _H26    84     1.08669   120.14554     0.45628
   78    71 S   CT   _C9_    57     1.52529   111.44494    54.63988
   79    78 S   HC   _H15    58     1.09693   109.48522    66.35146
   80    78 S   HC   _H16    59     1.09532   109.71891  -176.67039
   81    53 S   CO4  _C22    78     1.49895   114.22590   177.94234
   82    81 S   O    _O34    79     1.22623   121.69726    -3.88847
   83    65 S   O3T  _O35    80     1.43749   115.74759    55.73413
   84    76 S   CM   _C25    85     1.44620   122.85973  -177.65715
   85    84 S   HC   _H27    86     1.08798   117.06819    -2.54929
   86    54 S   CT   _C8_    60     1.53563   110.09108  -116.50155
   87    86 S   HC   _H13    61     1.09707   110.19246    61.31662
   88    86 S   HC   _H14    62     1.09722   109.80701   -56.02074
   89    84 S   CM   _C26    87     1.34153   123.02439   176.00777
   90    89 S   HC   _H28    88     1.08771   120.06105     0.54823
   91    89 S   CM   _C27    89     1.44671   122.78994  -177.76209
   92    91 S   HC   _H29    90     1.08760   116.85088    -3.10413
   93    91 S   CM   _C28    91     1.34061   122.77979   174.88458
   94    93 S   HC   _H30    92     1.08485   121.31280     0.92704
   95    93 S   C    _C29    93     1.49417   120.00772  -177.25255
   96    95 S   O    _O36    94     1.22438   120.95851    -8.73478
   97    95 S   N    _N5_    95     1.38558   110.94501   170.75877
   98    97 S   H    _H31    96     1.01728   117.56805     1.85372
   99    97 S   CM   _C30    97     1.37088   128.95221  -177.51368
  100    99 S   CMA  _C31    98     1.34399   134.13753     0.89175
  101   100 S   OM   _O38    99     1.25830   135.90166    -0.04423
  102   100 S   CT   _C32   100     1.52065   111.87318   179.69481
  103   102 S   HC   _H32   101     1.09830   111.65799   119.48716
  104   102 S   HC   _H33   102     1.09832   111.69756  -119.91613
  105   102 S   CT   _C33   103     1.52217   106.48438    -0.22029
  106   105 S   HC   _H34   104     1.09349   111.62491  -117.80450
  107   105 S   HC   _H35   105     1.09346   111.63775   118.00094
  108    99 S   CO4  _C34   106     1.48032   118.55578  -179.71745
  109   108 S   O    _O37   107     1.22350   123.63503     0.21398
  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   9   5   4   3
  12   7   2   1   1  10   4   8   4   3   6   3   6   3   7   3
   8   3  11   4  11  14   8  13   5  12   6   5  13   9   5   4
  11   6  10   4   4   1   8   5   4   4   3   6   3   5   4   3
   2   1   1   6   3   2   1   1   6   3   6   3   6   3   6   3
   8   3  10   9   5   7   5   4   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    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    49  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    49    50    53    43  
   42    45    46    49  
   45    46    49  
   44    47    48    51    52    54  
   47    48    51  
   46    49    50    53    56    81  
   49    50    53  
   48    51    52    54    55    58    86  
   51    52    54  
   50    53    56    57    61    74    81    82  
   53    56    81  
   52    54    55    58    59    60    62    78    86    87    88  
   54    55    58    86  
   56    57    61    65    74    75    81    82    83    67    69  
   55    58    59    60    62    63    64    71    78    79    80    86    87    88  
   58    59    60    62    78    86    87    88  
   57    61    65    66    74    81    82    83    67    68    76    69    70  
   61    65    81    67    69  
   59    60    62    63    64    71    72    73    78    86    87    88  
   60    62    63    64    71    86  
   62    63    64    71    86  
   65    66    74    75    81    83    67    68    76    77    84    69    70  
   63    64    71    72    73    78    79    80    86  
   64    71    72    73    78  
   71    72    73    78  
   66    74    75    81    82    83    67    68    76    69    70  
   74    75    81    83    67    69  
   68    76    77    84    85    89    69    70    74    83  
   76    77    84    69  
   70    74    76    83  
    0  
   72    73    78    79    80    86    87    88  
   73    78    79    80    86  
   78    79    80    86  
   75    81    82    83  
   81    82    83  
   77    84    85    89    90    91  
   84    85    89  
   79    80    86    87    88  
   80    86    87    88  
   86    87    88  
   82    83  
   83  
    0  
   85    89    90    91    92    93  
   89    90    91  
   87    88  
   88  
    0  
   90    91    92    93    94    95  
   91    92    93  
   92    93    94    95    96    97  
   93    94    95  
   94    95    96    97    98    99  
   95    96    97  
   96    97    98    99   100   108  
   97    98    99  
   98    99   100   101   102   105   108   109  
   99   100   108  
  100   101   102   103   104   105   106   107   108   109  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   108  
  103   104   105   106   107   108   109  
  104   105   106   107   108  
  105   106   107   108  
  106   107   108   109  
  107   108   109  
  108   109  
  109  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   83   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   97   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   98   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   99   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
  100   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
  101   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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
  108   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  109   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   380.000  1.444
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    52   340.000  1.080
   51    54   317.000  1.510
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    86   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    49   490.000  1.335
   49    50   434.000  1.010
   49    53   400.000  1.384
   53    56   549.000  1.340
   53    81   320.000  1.462
   56    57   340.000  1.080
   56    61   317.000  1.510
   61    65   275.000  1.510
   61    67   317.000  1.510
   61    69   320.000  1.410
   65    66   340.000  1.088
   65    74   260.000  1.509
   65    83   335.000  1.432
   74    75   340.000  1.088
   74    81   290.000  1.496
   74    83   335.000  1.432
   81    82   570.000  1.229
   67    68   340.000  1.080
   67    76   549.000  1.340
   76    77   340.000  1.080
   76    84   380.000  1.444
   84    85   340.000  1.080
   84    89   549.000  1.340
   89    90   340.000  1.080
   89    91   380.000  1.444
   91    92   340.000  1.080
   91    93   549.000  1.340
   93    94   340.000  1.080
   93    95   410.000  1.444
   95    96   570.000  1.229
   95    97   490.000  1.335
   97    98   434.000  1.010
   97    99   400.000  1.384
   99   100   465.000  1.376
   99   108   320.000  1.462
  100   101   745.000  1.250
  100   102   270.000  1.512
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   317.000  1.522
  108   109   570.000  1.229
   69    70   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    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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    51    70.00000  123.01800
   47    43    44    35.00000  120.00000
   47    51    52    35.00000  120.00000
   47    51    54    70.00000  124.00000
   51    47    48    35.00000  120.00000
   51    54    55    35.00000  109.50000
   51    54    58    70.00000  112.02700
   51    54    86    70.00000  112.02700
   54    51    52    35.00000  117.00000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    86    78    58.35000  112.70000
   54    86    87    37.50000  110.70000
   54    86    88    37.50000  110.70000
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    71    58.35000  112.70000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    71    72    37.50000  110.70000
   62    71    73    37.50000  110.70000
   62    71    78    58.35000  112.70000
   64    62    63    33.00000  107.80000
   71    62    63    37.50000  110.70000
   71    62    64    37.50000  110.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    86    58.35000  112.70000
   73    71    72    33.00000  107.80000
   78    71    72    37.50000  110.70000
   78    71    73    37.50000  110.70000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   80    78    79    33.00000  107.80000
   86    54    55    37.50000  110.70000
   86    54    58    58.35000  112.70000
   86    78    79    37.50000  110.70000
   86    78    80    37.50000  110.70000
   88    86    87    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    49    70.00000  116.60000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    49    50    35.00000  119.80000
   45    49    53    70.00000  120.89900
   49    45    46    80.00000  122.90000
   49    53    56    75.00000  120.83300
   49    53    81    70.00000  117.92000
   53    49    50    45.00000  117.55000
   53    56    57    35.00000  120.00000
   53    56    61    70.00000  124.00000
   53    81    74    65.00000  118.62400
   53    81    82    80.00000  123.72100
   56    61    65    70.00000  112.02700
   56    61    67    70.00000  110.12100
   56    61    69    90.00000  110.39200
   61    56    57    35.00000  117.00000
   61    65    66    40.00000  115.04500
   61    65    74    60.00000  120.94000
   61    65    83    80.00000  116.47100
   61    67    68    35.00000  117.00000
   61    67    76    70.00000  124.00000
   61    69    70    55.00000  108.50000
   65    74    75    37.50000  117.20000
   65    74    81    65.00000  117.18000
   65    74    83    15.00000   60.43100
   65    83    74    15.00000   59.14900
   74    65    66    37.50000  117.20000
   74    81    82    75.00000  121.36600
   81    53    56    65.00000  118.96000
   81    74    75    40.00000  116.18000
   83    65    66    50.00000  114.27700
   83    65    74    15.00000   60.43100
   83    74    75    50.00000  114.27700
   83    74    81    80.00000  114.91000
   67    61    65    70.00000  112.02700
   67    76    77    35.00000  120.00000
   67    76    84    70.00000  123.01800
   76    67    68    35.00000  120.00000
   76    84    85    35.00000  120.00000
   76    84    89    70.00000  123.01800
   84    76    77    35.00000  120.00000
   84    89    90    35.00000  120.00000
   84    89    91    70.00000  123.01800
   89    84    85    35.00000  120.00000
   89    91    92    35.00000  120.00000
   89    91    93    70.00000  123.01800
   91    89    90    35.00000  120.00000
   91    93    94    35.00000  120.00000
   91    93    95    70.00000  118.70000
   93    91    92    35.00000  120.00000
   93    95    96    80.00000  125.30000
   93    95    97    80.00000  111.56200
   95    93    94    35.00000  119.70000
   95    97    98    35.00000  119.80000
   95    97    99    70.00000  120.89900
   97    95    96    80.00000  122.90000
   97    99   100    75.00000  120.83300
   97    99   108    70.00000  117.92000
   99    97    98    45.00000  117.55000
   99   100   101    65.00000  137.10300
   99   100   102    65.00000  122.18000
   99   108   105    65.00000  118.62400
   99   108   109    80.00000  123.72100
  100   102   103    45.00000  110.52000
  100   102   104    45.00000  110.52000
  100   102   105    70.00000  112.02700
  102   100   101    85.00000  112.85300
  102   105   106    37.50000  110.70000
  102   105   107    37.50000  110.70000
  102   105   108    63.00000  111.10000
  104   102   103    33.00000  107.80000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  105   108   109    80.00000  120.40000
  107   105   106    33.00000  107.80000
  108    99   100    60.00000  125.92000
  108   105   106    35.00000  109.50000
  108   105   107    35.00000  109.50000
   69    61    65    50.00000  109.50000
   69    61    67    90.00000  110.39200
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    49   1.39750  1.0 1.0
   33    40    45    49  -0.07950 -1.0 2.0
   33    40    45    49  -0.18750  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    48  -0.18600  1.0 3.0
   38    43    47    51   0.28850  1.0 1.0
   38    43    47    51   2.61350 -1.0 2.0
   38    43    47    51   0.78400  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    51    52   7.00000 -1.0 2.0
   43    47    51    54   7.00000 -1.0 2.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    51  -0.18600  1.0 3.0
   47    51    54    55   0.00000  1.0 1.0
   47    51    54    58   0.09850  1.0 1.0
   47    51    54    58   0.15250 -1.0 2.0
   47    51    54    58  -0.50650  1.0 3.0
   47    51    54    86   0.09850  1.0 1.0
   47    51    54    86   0.15250 -1.0 2.0
   47    51    54    86  -0.50650  1.0 3.0
   48    47    51    52   7.00000 -1.0 2.0
   48    47    51    54   7.00000 -1.0 2.0
   51    54    58    59   0.15000  1.0 3.0
   51    54    58    60   0.15000  1.0 3.0
   51    54    58    62   0.34400  1.0 1.0
   51    54    58    62   0.09450 -1.0 2.0
   51    54    58    62   0.11100  1.0 3.0
   51    54    86    78   0.34400  1.0 1.0
   51    54    86    78   0.09450 -1.0 2.0
   51    54    86    78   0.11100  1.0 3.0
   51    54    86    87   0.15000  1.0 3.0
   51    54    86    88   0.15000  1.0 3.0
   52    51    54    55   0.33100  1.0 3.0
   52    51    54    58   0.00000  1.0 1.0
   52    51    54    86   0.00000  1.0 1.0
   54    58    62    63   0.15000  1.0 3.0
   54    58    62    64   0.15000  1.0 3.0
   54    58    62    71   0.56750  1.0 1.0
   54    58    62    71  -0.07550 -1.0 2.0
   54    58    62    71   0.20000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    62   0.15000  1.0 3.0
   55    54    86    78   0.15000  1.0 3.0
   55    54    86    87   0.15000  1.0 3.0
   55    54    86    88   0.15000  1.0 3.0
   58    54    86    78   0.56750  1.0 1.0
   58    54    86    78  -0.07550 -1.0 2.0
   58    54    86    78   0.20000  1.0 3.0
   58    54    86    87   0.15000  1.0 3.0
   58    54    86    88   0.15000  1.0 3.0
   58    62    71    72   0.15000  1.0 3.0
   58    62    71    73   0.15000  1.0 3.0
   58    62   -71    78   0.56750  1.0 1.0
   58    62   -71    78  -0.07550 -1.0 2.0
   58    62   -71    78   0.20000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    71   0.15000  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   60    58    62    64   0.15000  1.0 3.0
   60    58    62    71   0.15000  1.0 3.0
   62    71    78    79   0.15000  1.0 3.0
   62    71    78    80   0.15000  1.0 3.0
   62    71    78    86   0.56750  1.0 1.0
   62    71    78    86  -0.07550 -1.0 2.0
   62    71    78    86   0.20000  1.0 3.0
   63    62    71    72   0.15000  1.0 3.0
   63    62    71    73   0.15000  1.0 3.0
   63    62    71    78   0.15000  1.0 3.0
   64    62    71    72   0.15000  1.0 3.0
   64    62    71    73   0.15000  1.0 3.0
   64    62    71    78   0.15000  1.0 3.0
   71    78   -86    54   0.56750  1.0 1.0
   71    78   -86    54  -0.07550 -1.0 2.0
   71    78   -86    54   0.20000  1.0 3.0
   71    78    86    87   0.15000  1.0 3.0
   71    78    86    88   0.15000  1.0 3.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    86   0.15000  1.0 3.0
   73    71    78    79   0.15000  1.0 3.0
   73    71    78    80   0.15000  1.0 3.0
   73    71    78    86   0.15000  1.0 3.0
   79    78    86    54   0.15000  1.0 3.0
   79    78    86    87   0.15000  1.0 3.0
   79    78    86    88   0.15000  1.0 3.0
   80    78    86    54   0.15000  1.0 3.0
   80    78    86    87   0.15000  1.0 3.0
   80    78    86    88   0.15000  1.0 3.0
   86    54    58    59   0.15000  1.0 3.0
   86    54    58    60   0.15000  1.0 3.0
   86    54   -58    62   0.56750  1.0 1.0
   86    54   -58    62  -0.07550 -1.0 2.0
   86    54   -58    62   0.20000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    49    50   2.45000 -1.0 2.0
   40    45    49    53   0.67100  1.0 1.0
   40    45    49    53   1.42150 -1.0 2.0
   40    45    49    53   0.18700  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    49   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    49   0.00000  1.0 1.0
   45    49    53    56  -0.18900  1.0 1.0
   45    49    53    56   1.70900 -1.0 2.0
   45    49    53    81  -0.56400  1.0 1.0
   45    49    53    81   0.77500 -1.0 2.0
   45    49    53    81   0.18700  1.0 3.0
   46    45    49    50   2.45000 -1.0 2.0
   46    45    49    53   2.67200 -1.0 2.0
   49    53    56    57   7.00000 -1.0 2.0
   49    53    56    61   7.00000 -1.0 2.0
   49    53    81    74   1.50000 -1.0 2.0
   49    53    81    82  -0.52200  1.0 1.0
   49    53    81    82   0.82950 -1.0 2.0
   50    49    53    56   0.78350 -1.0 2.0
   50    49    53    81   1.00000 -1.0 2.0
   53    56    61    65   0.09850  1.0 1.0
   53    56    61    65   0.15250 -1.0 2.0
   53    56    61    65  -0.50650  1.0 3.0
   53    56    61    67  -0.28300  1.0 1.0
   53    56    61    67   0.26700 -1.0 2.0
   53    56    61    67  -0.63300  1.0 3.0
   53    56    61    69   0.67800  1.0 1.0
   53    56    61    69   0.47050 -1.0 2.0
   53    56    61    69  -0.62500  1.0 3.0
   56    53    81    74  -0.33500  1.0 1.0
   56    53    81    74   1.06600 -1.0 2.0
   56    53    81    74  -0.14000  1.0 3.0
   56    53    81    82   1.00000 -1.0 2.0
   56    61    65    66   0.15000  1.0 3.0
   56    61   -65    74   0.34400  1.0 1.0
   56    61   -65    74   0.09450 -1.0 2.0
   56    61   -65    74   0.11100  1.0 3.0
   56    61    65    83   0.61850  1.0 1.0
   56    61    65    83  -0.22750 -1.0 2.0
   56    61    65    83   0.15300  1.0 3.0
   56    61    67    68   0.00000  1.0 1.0
   56    61    67    76  -0.28300  1.0 1.0
   56    61    67    76   0.26700 -1.0 2.0
   56    61    67    76  -0.63300  1.0 3.0
   56    61    69    70  -0.07800  1.0 1.0
   56    61    69    70  -0.21500 -1.0 2.0
   56    61    69    70  -0.03150  1.0 3.0
   57    56    61    65   0.00000  1.0 1.0
   57    56    61    67   0.00000  1.0 1.0
   57    56    61    69   0.00000  1.0 1.0
   61    65    74    75   0.15000  1.0 3.0
   61    65    74    81  -0.95700  1.0 1.0
   61    65    74    81  -0.18200 -1.0 2.0
   61    65    74    81   0.29450  1.0 3.0
   61    65   -74    83   0.02550  1.0 1.0
   61    65   -74    83  -0.02600 -1.0 2.0
   61    65   -74    83   1.20400  1.0 3.0
   61    65   -83    74   0.06250  1.0 1.0
   61    65   -83    74  -0.01100 -1.0 2.0
   61    65   -83    74   0.28050  1.0 3.0
   61    67    76    77   7.00000 -1.0 2.0
   61    67    76    84   7.00000 -1.0 2.0
   65    61    67    68   0.00000  1.0 1.0
   65    61    67    76   0.09850  1.0 1.0
   65    61    67    76   0.15250 -1.0 2.0
   65    61    67    76  -0.50650  1.0 3.0
   65    61    69    70  -0.11600  1.0 1.0
   65    61    69    70  -0.09450 -1.0 2.0
   65    61    69    70   0.21250  1.0 3.0
   65    74   -81    53   0.65300  1.0 1.0
   65    74   -81    53  -0.03850 -1.0 2.0
   65    74   -81    53   0.33900  1.0 3.0
   65    74    81    82   0.30150 -1.0 2.0
   66    65    74    75   0.15000  1.0 3.0
   66    65    74    81   0.15000  1.0 3.0
   66    65   -74    83   0.23400  1.0 3.0
   66    65   -83    74   0.36800  1.0 3.0
   75    74    81    53   0.00000  1.0 1.0
   75    74    81    82   0.50000  1.0 3.0
   75    74   -83    65   0.36800  1.0 3.0
   81    53    56    57   7.00000 -1.0 2.0
   81    53   -56    61   7.00000 -1.0 2.0
   81    74   -83    65  -1.11000  1.0 1.0
   81    74   -83    65   0.50250 -1.0 2.0
   81    74   -83    65   0.47450  1.0 3.0
   83    65   -74    75   0.23400  1.0 3.0
   83    65   -74    81  -0.09450  1.0 1.0
   83    65   -74    81  -1.12950 -1.0 2.0
   83    65   -74    81   0.54000  1.0 3.0
   83    74    81    53   0.65300  1.0 1.0
   83    74    81    53  -0.03850 -1.0 2.0
   83    74    81    53   0.33900  1.0 3.0
   83    74    81    82   0.30150 -1.0 2.0
   67    61    65    66   0.15000  1.0 3.0
   67    61    65    74   0.34400  1.0 1.0
   67    61    65    74   0.09450 -1.0 2.0
   67    61    65    74   0.11100  1.0 3.0
   67    61    65    83   0.61850  1.0 1.0
   67    61    65    83  -0.22750 -1.0 2.0
   67    61    65    83   0.15300  1.0 3.0
   67    61    69    70  -0.07800  1.0 1.0
   67    61    69    70  -0.21500 -1.0 2.0
   67    61    69    70  -0.03150  1.0 3.0
   67    76    84    85  -0.18600  1.0 3.0
   67    76    84    89   0.28850  1.0 1.0
   67    76    84    89   2.61350 -1.0 2.0
   67    76    84    89   0.78400  1.0 3.0
   68    67    76    77   7.00000 -1.0 2.0
   68    67    76    84   7.00000 -1.0 2.0
   76    84    89    90   7.00000 -1.0 2.0
   76    84    89    91   7.00000 -1.0 2.0
   77    76    84    85   0.00000  1.0 1.0
   77    76    84    89  -0.18600  1.0 3.0
   84    89    91    92  -0.18600  1.0 3.0
   84    89    91    93   0.28850  1.0 1.0
   84    89    91    93   2.61350 -1.0 2.0
   84    89    91    93   0.78400  1.0 3.0
   85    84    89    90   7.00000 -1.0 2.0
   85    84    89    91   7.00000 -1.0 2.0
   89    91    93    94   7.00000 -1.0 2.0
   89    91    93    95   7.00000 -1.0 2.0
   90    89    91    92   0.00000  1.0 1.0
   90    89    91    93  -0.18600  1.0 3.0
   91    93    95    96   1.00000 -1.0 2.0
   91    93    95    97   0.49500  1.0 1.0
   91    93    95    97   1.31600 -1.0 2.0
   91    93    95    97  -0.02300  1.0 3.0
   92    91    93    94   7.00000 -1.0 2.0
   92    91    93    95   7.00000 -1.0 2.0
   93    95    97    98   2.56700 -1.0 2.0
   93    95    97    99   2.45000 -1.0 2.0
   94    93    95    96   0.00000  1.0 1.0
   94    93    95    97   0.65100 -1.0 2.0
   95    97    99   100  -0.18900  1.0 1.0
   95    97    99   100   1.70900 -1.0 2.0
   95    97    99   108  -0.56400  1.0 1.0
   95    97    99   108   0.77500 -1.0 2.0
   95    97    99   108   0.18700  1.0 3.0
   96    95    97    98   2.45000 -1.0 2.0
   96    95    97    99   2.67200 -1.0 2.0
   97    99   100   101   7.00000 -1.0 2.0
   97    99   100   102   7.00000 -1.0 2.0
   97    99   108   105   1.50000 -1.0 2.0
   97    99   108   109  -0.52200  1.0 1.0
   97    99   108   109   0.82950 -1.0 2.0
   98    97    99   100   0.78350 -1.0 2.0
   98    97    99   108   1.00000 -1.0 2.0
   99   100   102   103   0.00000  1.0 1.0
   99   100   102   104   0.00000  1.0 1.0
   99   100  -102   105   0.09850  1.0 1.0
   99   100  -102   105   0.15250 -1.0 2.0
   99   100  -102   105  -0.50650  1.0 3.0
  100    99  -108   105  -0.33500  1.0 1.0
  100    99  -108   105   1.06600 -1.0 2.0
  100    99  -108   105  -0.14000  1.0 3.0
  100    99   108   109   1.00000 -1.0 2.0
  100   102   105   106   0.15000  1.0 3.0
  100   102   105   107   0.15000  1.0 3.0
  100   102  -105   108  -0.98800  1.0 1.0
  100   102  -105   108   0.48800 -1.0 2.0
  100   102  -105   108   0.76800  1.0 3.0
  101   100   102   103   0.00000  1.0 1.0
  101   100   102   104   0.00000  1.0 1.0
  101   100   102   105   0.09700  1.0 1.0
  101   100   102   105   0.15600 -1.0 2.0
  101   100   102   105  -0.50800  1.0 3.0
  102   105  -108    99   0.65300  1.0 1.0
  102   105  -108    99  -0.03850 -1.0 2.0
  102   105  -108    99   0.33900  1.0 3.0
  102   105   108   109   0.30150 -1.0 2.0
  103   102   105   106   0.15000  1.0 3.0
  103   102   105   107   0.15000  1.0 3.0
  103   102   105   108  -0.11250  1.0 3.0
  104   102   105   106   0.15000  1.0 3.0
  104   102   105   107   0.15000  1.0 3.0
  104   102   105   108  -0.11250  1.0 3.0
  106   105   108    99   0.00000  1.0 1.0
  106   105   108   109   0.00000  1.0 1.0
  107   105   108    99   0.00000  1.0 1.0
  107   105   108   109   0.00000  1.0 1.0
  108    99   100   101   7.00000 -1.0 2.0
  108    99  -100   102   7.00000 -1.0 2.0
   69    61    65    66   0.23400  1.0 3.0
   69    61    65    74   0.86500  1.0 1.0
   69    61    65    74  -0.17500 -1.0 2.0
   69    61    65    74   0.20800  1.0 3.0
   69    61    65    83   3.69350  1.0 1.0
   69    61    65    83  -1.82950 -1.0 2.0
   69    61    67    68   0.00000  1.0 1.0
   69    61    67    76   0.67800  1.0 1.0
   69    61    67    76   0.47050 -1.0 2.0
   69    61    67    76  -0.62500  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   43    48    47    51  15.00000 -1.0 2.0
   54    52    51    47  15.00000 -1.0 2.0
   40    49    45    46  10.50000 -1.0 2.0
   50    45    49    53   1.00000 -1.0 2.0
   49    81    53    56   1.10000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   53    74    81    82  10.50000 -1.0 2.0
   61    68    67    76  15.00000 -1.0 2.0
   84    77    76    67  15.00000 -1.0 2.0
   76    85    84    89  15.00000 -1.0 2.0
   91    90    89    84  15.00000 -1.0 2.0
   89    92    91    93  15.00000 -1.0 2.0
   95    94    93    91  15.00000 -1.0 2.0
   93    97    95    96  10.50000 -1.0 2.0
   98    95    97    99   1.00000 -1.0 2.0
   97   108    99   100   1.10000 -1.0 2.0
  102   101   100    99   1.10000 -1.0 2.0
   99   105   108   109  10.50000 -1.0 2.0
END
