* LIGAND DATABASE FILE (OPLS2005)
*
001     112   115    203    318     585
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02037   106.52800   -19.19209
    3     1 S   H    _H1_     3     1.02053    59.01119    83.03730
    4     1 S   H    _H2_     4     1.02089    53.12861  -120.49259
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C24    36     1.80585    98.13950   161.76202
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C25    37     1.53231   108.82773   179.97202
   38    33 S   CT   _C29   109     1.53247   108.30721    56.76129
   39    38 S   HC   _H23   110     1.08713   109.56789   -59.38141
   40    38 S   HC   _H24   111     1.08732   109.56933  -179.31244
   41    38 S   HC   _H25   112     1.08649   109.56345    60.67768
   42    37 S   CMA  _C26    38     1.35005   111.00727   111.99526
   43    42 S   OM   _O34    39     1.25543   136.71855  -179.84423
   44    37 S   CM   _C27   104     1.43839   123.05950   -68.27910
   45    44 S   HC   _H20   105     1.09240   119.83722    40.31920
   46    42 S   NE   _N7_    40     1.37488   109.39947     0.41965
   47    46 S   H    _H19    41     1.01102   121.29148   178.10555
   48    44 S   CM   _C28   106     1.34486   119.70169  -139.66526
   49    48 S   HC   _H21   107     1.08526   121.45178   180.00000
   50    48 S   HC   _H22   108     1.08547   120.98126    -0.03956
   51    33 S   CT   _C23    42     1.57494   108.95349   -68.78694
   52    51 S   HC   _H3_    43     1.09556   112.22657     5.75483
   53    51 S   CT   _C22    44     1.52561   116.49120   131.19109
   54    53 S   HC   _H17    45     1.09037   110.10244    72.30839
   55    53 S   HC   _H18    46     1.09078   109.88938   -47.78165
   56    53 S   CD   _C21    47     1.48768   110.11141  -167.42359
   57    56 S   CM   _C20    48     1.47211   121.90319    89.11004
   58    57 S   CM   _C19    49     1.33983   101.33258   179.26618
   59    57 S   CT   _C30   100     1.47690   125.30441    -0.26688
   60    59 S   HC   _H26   101     1.09458   110.61014   -90.60523
   61    59 S   HC   _H27   102     1.09629   110.59597   149.25023
   62    59 S   HC   _H28   103     1.09554   110.64834    29.63667
   63    58 S   CM   _C18    50     1.45192   109.76701     0.04423
   64    58 S   CT   _C31    91     1.49114   127.49756  -179.88809
   65    64 S   HC   _H29    92     1.09656   109.23221    30.01378
   66    64 S   HC   _H30    93     1.09630   108.29645   146.19288
   67    56 S   NI   _N6_    51     1.30267   122.70881   -91.86065
   68    63 S   CM   _C17    52     1.33739   127.33332   179.83929
   69    68 S   HC   _H16    53     1.08082   122.19277    -0.02798
   70    64 S   CT   _C32    94     1.52621   112.83007   -92.99743
   71    70 S   HC   _H31    95     1.09783   108.35897   180.00000
   72    70 S   HC   _H32    96     1.09778   109.71935   -63.93283
   73    68 S   C5A  _C7_    54     1.45860   118.76629  -179.98022
   74    70 S   CO3  _C33    97     1.53331   116.93181    60.01263
   75    74 S   O2Z  _O36    98     1.26511   114.15007    61.10463
   76    74 S   O2Z  _O35    99     1.26225   116.56650  -118.49262
   77    73 S   C5BC _C6_    55     1.47599   124.47078  -120.03276
   78    77 S   C5BC _C5_    56     1.45165   104.82583   179.88809
   79    77 S   CT   _C34    82     1.47584   129.05021     0.07402
   80    79 S   HC   _H33    83     1.10107   109.88685   -45.23751
   81    79 S   HC   _H34    84     1.10138   109.01658  -161.34985
   82    78 S   C5A  _C8_    57     1.34808   105.42550     0.02798
   83    78 S   CT   _C4_    78     1.48460   123.39120  -179.92598
   84    83 S   HC   _H4_    79     1.09309   110.24279    90.00635
   85    83 S   HC   _H5_    80     1.09332   110.28777   -30.19984
   86    83 S   HC   _H6_    81     1.09297   110.24809  -149.85193
   87    79 S   CT   _C35    85     1.53155   113.40025    77.79717
   88    87 S   HC   _H35    86     1.09830   109.34281   -59.99490
   89    87 S   HC   _H36    87     1.09758   108.83404    56.22259
   90    73 S   NA   _N4_    58     1.28823   126.01095    59.93410
   91    90 S   H    _H7_    59     1.01844   127.66147     0.00000
   92    82 S   CM   _C9_    60     1.43028   128.77456   179.94766
   93    92 S   HC   _H8_    61     1.09663   120.24498   -90.02930
   94    87 S   CO3  _C36    88     1.53347   116.74060   176.48955
   95    94 S   O2Z  _O38    89     1.26425   114.10550  -176.00374
   96    94 S   O2Z  _O37    90     1.26175   116.52727     3.53734
   97    92 S   CM   _C10    62     1.34941   119.95392    90.04684
   98    97 S   CM   _C11    63     1.45522   129.29950     0.00000
   99    98 S   CM   _C12    64     1.35056   109.11958   179.96044
  100    98 S   CM   _C15    73     1.44022   127.49066    -0.03426
  101   100 S   HC   _H13    74     1.09187   119.74394   -39.99457
  102    99 S   C    _C13    65     1.49253   107.08313    -0.03426
  103   102 S   O    _O33    66     1.21836   125.69754   179.96044
  104    99 S   CT   _C14    69     1.48422   130.47571   179.97202
  105   104 S   HC   _H10    70     1.09246   110.26969    89.97063
  106   104 S   HC   _H11    71     1.09326   110.27181   -30.19874
  107   104 S   HC   _H12    72     1.09332   110.27981  -149.81140
  108   100 S   CM   _C16    75     1.34384   119.59919   139.97146
  109   108 S   HC   _H14    76     1.08499   121.55237  -179.97202
  110   108 S   HC   _H15    77     1.08507   120.89046     0.01978
  111    97 S   N    _N5_    67     1.36426   123.91804   179.92598
  112   111 S   H    _H9_    68     1.01265   123.79925     0.00000
  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  16   9   3   2   1   9   4   6   3   7   3   2
   1   1   7   4   8   4   3  10  12  16   6   2   1   1  10  10
   5   4   3   8   3   5   4   3  11   2   1   1  16  14  11   5
   4  11   5   2   1   1   5   4   3   4   1   8   3   2   1   1
  10  14  11   7   3   7   3   4   2   1   1   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    46    51    52    53    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    52    53    54    55    56    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    47    51    52    53    44    45    48    49    50    38    39    40    41  
   39    40    41    42    44    46    51    52    53  
   40    41    51  
   41    51  
   51  
   43    46    47    51    52    53    44    45    48  
   46    47    51    44  
   45    48    49    50    46    51  
   48    49    50  
   47    51    52    53    54    55    56  
   51    52    53  
   49    50  
   50  
    0  
   52    53    54    55    56    57    67  
   53    54    55    56  
   54    55    56    57    58    63    67    59  
   55    56    57    67  
   56    57    67  
   57    58    63    67    68    64    59    60    61    62  
   58    63    67    68    64    65    66    70    59    60    61    62  
   63    67    68    69    73    64    65    66    70    71    72    74    59    60    61    62  
   60    61    62    63    64    67  
   61    62  
   62  
    0  
   67    68    69    73    77    90    64    65    66    70  
   65    66    70    71    72    74    75    76    67    68  
   66    70    71    72    74  
   70    71    72    74  
   68    69    73  
   69    73    77    78    82    90    91    79  
   73    77    90  
   71    72    74    75    76  
   72    74    75    76  
   74    75    76  
   77    78    82    90    91    92    83    79    80    81    87  
   75    76  
   76  
    0  
   78    82    90    91    92    83    84    85    86    79    80    81    87    88    89    94  
   82    90    91    92    93    97    83    84    85    86    79    80    81    87  
   80    81    87    88    89    94    95    96    82    83    90  
   81    87    88    89    94  
   87    88    89    94  
   90    91    92    93    97    98   111    83    84    85    86  
   84    85    86    90    92  
   85    86  
   86  
    0  
   88    89    94    95    96  
   89    94    95    96  
   94    95    96  
   91    92    93    97  
   92  
   93    97    98    99   102   111   112   100  
   97    98   111  
   95    96  
   96  
    0  
   98    99   102   103   111   112   104   100   101   108  
   99   102   103   111   112   104   105   106   107   100   101   108   109   110  
  102   103   111   112   104   105   106   107   100   101   108  
  101   108   109   110   102   104   111  
  108   109   110  
  103   111   112   104   105   106   107  
  111   112   104  
  105   106   107   111  
  106   107  
  107  
    0  
  109   110  
  110  
    0  
  112  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   91   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   93   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   94   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   97   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   98   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   99   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  100   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  102   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  109   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  110   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  111   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
  112   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    51   268.000  1.529
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   380.000  1.444
   42    43   745.000  1.250
   42    46   415.000  1.382
   46    47   434.000  1.010
   46    51   382.000  1.448
   51    52   340.000  1.090
   51    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   270.000  1.508
   56    57   320.000  1.464
   56    67   500.000  1.261
   57    58   549.000  1.340
   57    59   317.000  1.510
   58    63   380.000  1.444
   58    64   317.000  1.510
   63    67   405.000  1.380
   63    68   549.000  1.340
   68    69   340.000  1.080
   68    73   375.000  1.423
   73    77   546.000  1.367
   73    90   427.000  1.381
   77    78   469.000  1.424
   77    79   285.000  1.502
   78    82   546.000  1.367
   78    83   285.000  1.502
   82    90   427.000  1.381
   82    92   375.000  1.423
   90    91   434.000  1.010
   92    93   340.000  1.080
   92    97   549.000  1.340
   97    98   380.000  1.444
   97   111   400.000  1.384
   98    99   549.000  1.340
   98   100   380.000  1.444
   99   102   410.000  1.444
   99   104   317.000  1.510
  102   103   570.000  1.229
  102   111   490.000  1.335
  111   112   434.000  1.010
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  100   101   340.000  1.080
  100   108   549.000  1.340
  108   109   340.000  1.080
  108   110   340.000  1.080
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   317.000  1.522
   94    95   656.000  1.250
   94    96   656.000  1.250
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   317.000  1.522
   74    75   656.000  1.250
   74    76   656.000  1.250
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    49   340.000  1.080
   48    50   340.000  1.080
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    51    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    70.00000  124.00000
   33    51    46    80.00000  111.61500
   33    51    52    37.50000  110.70000
   33    51    53    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    46    75.00000  114.40000
   37    44    45    35.00000  120.00000
   37    44    48    70.00000  123.01800
   42    46    47    50.00000  121.48000
   42    46    51    50.00000  121.00000
   46    42    43   105.00000  113.92000
   46    51    52    35.00000  109.50000
   46    51    53    80.00000  111.61500
   51    33    37    70.00000  112.02700
   51    46    47    35.00000  112.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    70.00000  111.76100
   53    51    52    37.50000  110.70000
   53    56    57    65.00000  117.24000
   53    56    67    65.00000  122.10100
   55    53    54    33.00000  107.80000
   56    53    54    45.00000  109.49600
   56    53    55    45.00000  109.49600
   56    57    58    60.00000  120.31500
   56    57    59    65.00000  117.22000
   56    67    63    75.00000  115.77100
   57    58    63    70.00000  123.01800
   57    58    64    70.00000  124.00000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    35.00000  109.50000
   58    63    67    70.00000  120.83400
   58    63    68    70.00000  123.01800
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    70    70.00000  112.02700
   63    68    69    35.00000  120.00000
   63    68    73    55.00000  128.24000
   67    56    57    70.00000  121.86000
   68    63    67    70.00000  120.83400
   68    73    77    50.00000  133.16000
   68    73    90    70.00000  120.38000
   73    68    69    40.00000  117.26300
   73    77    78    70.00000  107.30000
   73    77    79    60.00000  130.00000
   73    90    82    70.00000  109.80000
   73    90    91    35.00000  120.00000
   77    78    82    70.00000  107.30000
   77    78    83    60.00000  130.00000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    87    70.00000  112.17500
   78    82    90    70.00000  107.70000
   78    82    92    50.00000  133.16000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   82    90    91    35.00000  120.00000
   82    92    93    40.00000  117.26300
   82    92    97    55.00000  128.24000
   90    73    77    70.00000  107.70000
   92    82    90    70.00000  120.38000
   92    97    98    70.00000  123.01800
   92    97   111    75.00000  120.83300
   97    92    93    35.00000  120.00000
   97    98    99    70.00000  123.01800
   97    98   100    70.00000  123.01800
   97   111   102    70.00000  120.89900
   97   111   112    45.00000  117.55000
   98    99   102    70.00000  118.70000
   98    99   104    70.00000  124.00000
   98   100   101    35.00000  120.00000
   98   100   108    70.00000  123.01800
   99   102   103    80.00000  125.30000
   99   102   111    80.00000  111.56200
   99   104   105    35.00000  109.50000
   99   104   106    35.00000  109.50000
   99   104   107    35.00000  109.50000
  102   111   112    35.00000  119.80000
  111    97    98    75.00000  120.83300
  111   102   103    80.00000  122.90000
  104    99   102    70.00000  119.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  100    98    99    70.00000  123.01800
  100   108   109    35.00000  120.00000
  100   108   110    35.00000  120.00000
  108   100   101    35.00000  120.00000
  110   108   109    35.00000  117.00000
   83    78    82    60.00000  130.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   79    77    78    60.00000  130.00000
   79    87    88    37.50000  110.70000
   79    87    89    37.50000  110.70000
   79    87    94    70.00000  109.69300
   81    79    80    33.00000  107.80000
   87    79    80    37.50000  110.70000
   87    79    81    37.50000  110.70000
   87    94    95    70.00000  117.00000
   87    94    96    70.00000  117.00000
   89    87    88    33.00000  107.80000
   94    87    88    35.00000  109.50000
   94    87    89    35.00000  109.50000
   96    94    95    80.00000  126.00000
   64    58    63    70.00000  124.00000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    74    70.00000  109.69300
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    74    75    70.00000  117.00000
   70    74    76    70.00000  117.00000
   72    70    71    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    72    35.00000  109.50000
   76    74    75    80.00000  126.00000
   59    57    58    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   44    37    42    70.00000  117.34000
   44    48    49    35.00000  120.00000
   44    48    50    35.00000  120.00000
   48    44    45    35.00000  120.00000
   50    48    49    35.00000  117.00000
   38    33    37    70.00000  112.02700
   38    33    51    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    51    46   0.56750  1.0 1.0
   29    33    51    46  -0.07550 -1.0 2.0
   29    33    51    46   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37   -42    46   7.00000 -1.0 2.0
   33    37    44    45   0.00000  1.0 1.0
   33    37    44    48  -0.18600  1.0 3.0
   33    51    53    54   0.15000  1.0 3.0
   33    51    53    55   0.15000  1.0 3.0
   33    51    53    56   0.34400  1.0 1.0
   33    51    53    56   0.09450 -1.0 2.0
   33    51    53    56   0.11100  1.0 3.0
   37    33   -51    46   0.21700  1.0 1.0
   37    33   -51    46   0.68550 -1.0 2.0
   37    33   -51    46  -0.27950  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    53   0.34400  1.0 1.0
   37    33    51    53   0.09450 -1.0 2.0
   37    33    51    53   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    47   1.00000 -1.0 2.0
   37    42   -46    51  -0.54700  1.0 1.0
   37    42   -46    51   1.23000 -1.0 2.0
   37    44    48    49   7.00000 -1.0 2.0
   37    44    48    50   7.00000 -1.0 2.0
   42    37    44    45  -0.18600  1.0 3.0
   42    37    44    48   0.28850  1.0 1.0
   42    37    44    48   2.61350 -1.0 2.0
   42    37    44    48   0.78400  1.0 3.0
   42    46   -51    33   0.25450  1.0 1.0
   42    46   -51    33  -0.61700 -1.0 2.0
   42    46   -51    33  -0.23550  1.0 3.0
   42    46    51    52   0.00000  1.0 1.0
   42    46    51    53   0.25450  1.0 1.0
   42    46    51    53  -0.61700 -1.0 2.0
   42    46    51    53  -0.23550  1.0 3.0
   43    42    46    47   1.00000 -1.0 2.0
   43    42    46    51   1.00000 -1.0 2.0
   46    51    53    54   0.22950  1.0 3.0
   46    51    53    55   0.22950  1.0 3.0
   46    51    53    56   0.10350  1.0 1.0
   46    51    53    56  -0.04400 -1.0 2.0
   46    51    53    56   0.08800  1.0 3.0
   47    46    51    33   0.00000  1.0 1.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53   0.00000  1.0 1.0
   51    33   -37    42   0.09850  1.0 1.0
   51    33   -37    42   0.15250 -1.0 2.0
   51    33   -37    42  -0.50650  1.0 3.0
   51    33    37    44   0.98200  1.0 1.0
   51    33    37    44  -0.11900 -1.0 2.0
   51    33    37    44   0.24250  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33    38    40   0.15000  1.0 3.0
   51    33    38    41   0.15000  1.0 3.0
   51    53    56    57   0.09850  1.0 1.0
   51    53    56    57   0.15250 -1.0 2.0
   51    53    56    57  -0.50650  1.0 3.0
   51    53    56    67   0.00000  1.0 1.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   53    56    57    58   0.69550 -1.0 2.0
   53    56    57    59   7.00000 -1.0 2.0
   53    56    67    63   6.00000 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    67   0.00000  1.0 1.0
   55    53    56    57   0.00000  1.0 1.0
   55    53    56    67   0.00000  1.0 1.0
   56    57   -58    63   7.00000 -1.0 2.0
   56    57    58    64   7.00000 -1.0 2.0
   56    57    59    60   0.00000  1.0 1.0
   56    57    59    61   0.00000  1.0 1.0
   56    57    59    62   0.00000  1.0 1.0
   57    56   -67    63   6.00000 -1.0 2.0
   57    58   -63    67  -0.18600  1.0 3.0
   57    58    63    68   0.28850  1.0 1.0
   57    58    63    68   2.61350 -1.0 2.0
   57    58    63    68   0.78400  1.0 3.0
   57    58    64    65   0.00000  1.0 1.0
   57    58    64    66   0.00000  1.0 1.0
   57    58    64    70   0.09850  1.0 1.0
   57    58    64    70   0.15250 -1.0 2.0
   57    58    64    70  -0.50650  1.0 3.0
   58    57    59    60   0.00000  1.0 1.0
   58    57    59    61   0.00000  1.0 1.0
   58    57    59    62   0.00000  1.0 1.0
   58    63   -67    56   1.00000 -1.0 2.0
   58    63    68    69   7.00000 -1.0 2.0
   58    63    68    73   7.00000 -1.0 2.0
   58    64    70    71   0.15000  1.0 3.0
   58    64    70    72   0.15000  1.0 3.0
   58    64    70    74  -0.98800  1.0 1.0
   58    64    70    74   0.48800 -1.0 2.0
   58    64    70    74   0.76800  1.0 3.0
   63    58    64    65   0.00000  1.0 1.0
   63    58    64    66   0.00000  1.0 1.0
   63    58    64    70   0.98200  1.0 1.0
   63    58    64    70  -0.11900 -1.0 2.0
   63    58    64    70   0.24250  1.0 3.0
   63    68    73    77   0.15800  1.0 1.0
   63    68    73    77   1.85350 -1.0 2.0
   63    68    73    77  -0.48700  1.0 3.0
   63    68    73    90   0.11450  1.0 1.0
   63    68    73    90   1.85100 -1.0 2.0
   63    68    73    90  -0.49050  1.0 3.0
   67    56   -57    58   1.09650  1.0 1.0
   67    56   -57    58   0.48950 -1.0 2.0
   67    56   -57    58   0.49400  1.0 3.0
   67    56    57    59   7.00000 -1.0 2.0
   67    63    68    69   7.00000 -1.0 2.0
   67    63    68    73   7.00000 -1.0 2.0
   68    63    67    56   1.00000 -1.0 2.0
   68    73    77    78   3.62500 -1.0 2.0
   68    73    77    79   3.62500 -1.0 2.0
   68    73    90    82   3.62500 -1.0 2.0
   68    73    90    91   2.00000 -1.0 2.0
   69    68    73    77   0.56550  1.0 3.0
   69    68    73    90   0.54250  1.0 3.0
   73    77   -78    82   3.62500 -1.0 2.0
   73    77    78    83   3.62500 -1.0 2.0
   73    77    79    80   0.00000  1.0 1.0
   73    77    79    81   0.00000  1.0 1.0
   73    77    79    87   0.04150 -1.0 2.0
   77    73   -90    82   3.62500 -1.0 2.0
   77    73    90    91   2.00000 -1.0 2.0
   77    78   -82    90   3.62500 -1.0 2.0
   77    78    82    92   3.62500 -1.0 2.0
   77    78    83    84   0.00000  1.0 1.0
   77    78    83    85   0.00000  1.0 1.0
   77    78    83    86   0.00000  1.0 1.0
   77    79    87    88   0.43200  1.0 3.0
   77    79    87    89   0.43200  1.0 3.0
   77    79    87    94  -2.95950  1.0 1.0
   77    79    87    94   0.02300  1.0 3.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    87   0.04150 -1.0 2.0
   78    82   -90    73   3.62500 -1.0 2.0
   78    82    90    91   2.00000 -1.0 2.0
   78    82    92    93   0.56550  1.0 3.0
   78    82    92    97   0.15800  1.0 1.0
   78    82    92    97   1.85350 -1.0 2.0
   78    82    92    97  -0.48700  1.0 3.0
   82    78    83    84   0.00000  1.0 1.0
   82    78    83    85   0.00000  1.0 1.0
   82    78    83    86   0.00000  1.0 1.0
   82    92    97    98   7.00000 -1.0 2.0
   82    92    97   111   7.00000 -1.0 2.0
   90    73   -77    78   3.62500 -1.0 2.0
   90    73    77    79   3.62500 -1.0 2.0
   90    82    92    93   0.54250  1.0 3.0
   90    82    92    97   0.11450  1.0 1.0
   90    82    92    97   1.85100 -1.0 2.0
   90    82    92    97  -0.49050  1.0 3.0
   92    82    90    73   3.62500 -1.0 2.0
   92    82    90    91   2.00000 -1.0 2.0
   92    97    98    99   0.28850  1.0 1.0
   92    97    98    99   2.61350 -1.0 2.0
   92    97    98    99   0.78400  1.0 3.0
   92    97    98   100   0.28850  1.0 1.0
   92    97    98   100   2.61350 -1.0 2.0
   92    97    98   100   0.78400  1.0 3.0
   92    97   111   102  -0.18900  1.0 1.0
   92    97   111   102   1.70900 -1.0 2.0
   92    97   111   112   0.78350 -1.0 2.0
   93    92    97    98   7.00000 -1.0 2.0
   93    92    97   111   7.00000 -1.0 2.0
   97    98   -99   102   7.00000 -1.0 2.0
   97    98    99   104   7.00000 -1.0 2.0
   97    98   100   101  -0.18600  1.0 3.0
   97    98   100   108   0.28850  1.0 1.0
   97    98   100   108   2.61350 -1.0 2.0
   97    98   100   108   0.78400  1.0 3.0
   98    97  -111   102  -0.18900  1.0 1.0
   98    97  -111   102   1.70900 -1.0 2.0
   98    97   111   112   0.78350 -1.0 2.0
   98    99   102   103   1.00000 -1.0 2.0
   98    99  -102   111   0.49500  1.0 1.0
   98    99  -102   111   1.31600 -1.0 2.0
   98    99  -102   111  -0.02300  1.0 3.0
   98    99   104   105   0.00000  1.0 1.0
   98    99   104   106   0.00000  1.0 1.0
   98    99   104   107   0.00000  1.0 1.0
   98   100   108   109   7.00000 -1.0 2.0
   98   100   108   110   7.00000 -1.0 2.0
   99    98   100   101  -0.18600  1.0 3.0
   99    98   100   108   0.28850  1.0 1.0
   99    98   100   108   2.61350 -1.0 2.0
   99    98   100   108   0.78400  1.0 3.0
   99   102  -111    97   2.45000 -1.0 2.0
   99   102   111   112   2.56700 -1.0 2.0
  102    99   104   105   0.15000  1.0 3.0
  102    99   104   106   0.15000  1.0 3.0
  102    99   104   107   0.15000  1.0 3.0
  103   102   111    97   2.67200 -1.0 2.0
  103   102   111   112   2.45000 -1.0 2.0
  111    97   -98    99  -0.18600  1.0 3.0
  111    97    98   100  -0.18600  1.0 3.0
  104    99   102   103  -0.64400  1.0 1.0
  104    99   102   103   0.26850 -1.0 2.0
  104    99   102   111   1.59650  1.0 1.0
  104    99   102   111   0.42750 -1.0 2.0
  104    99   102   111  -0.48350  1.0 3.0
  100    98    99   102   7.00000 -1.0 2.0
  100    98    99   104   7.00000 -1.0 2.0
  101   100   108   109   7.00000 -1.0 2.0
  101   100   108   110   7.00000 -1.0 2.0
   83    78    82    90   3.62500 -1.0 2.0
   83    78    82    92   3.62500 -1.0 2.0
   79    77    78    82   3.62500 -1.0 2.0
   79    77    78    83   3.62500 -1.0 2.0
   79    87    94    95   0.41150 -1.0 2.0
   79    87    94    96   0.41150 -1.0 2.0
   80    79    87    88   0.15000  1.0 3.0
   80    79    87    89   0.15000  1.0 3.0
   80    79    87    94  -0.11250  1.0 3.0
   81    79    87    88   0.15000  1.0 3.0
   81    79    87    89   0.15000  1.0 3.0
   81    79    87    94  -0.11250  1.0 3.0
   88    87    94    95   0.00000  1.0 1.0
   88    87    94    96   0.00000  1.0 1.0
   89    87    94    95   0.00000  1.0 1.0
   89    87    94    96   0.00000  1.0 1.0
   64    58    63    67   1.08500 -1.0 2.0
   64    58    63    68  -0.18600  1.0 3.0
   64    70    74    75   0.41150 -1.0 2.0
   64    70    74    76   0.41150 -1.0 2.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    74  -0.11250  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    74  -0.11250  1.0 3.0
   71    70    74    75   0.00000  1.0 1.0
   71    70    74    76   0.00000  1.0 1.0
   72    70    74    75   0.00000  1.0 1.0
   72    70    74    76   0.00000  1.0 1.0
   59    57    58    63   7.00000 -1.0 2.0
   59    57    58    64   7.00000 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    46   7.00000 -1.0 2.0
   45    44    48    49   7.00000 -1.0 2.0
   45    44    48    50   7.00000 -1.0 2.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.98200  1.0 1.0
   38    33    37    44  -0.11900 -1.0 2.0
   38    33    37    44   0.24250  1.0 3.0
   38    33    51    46   1.26750  1.0 1.0
   38    33    51    46  -0.00950 -1.0 2.0
   38    33    51    46   0.30600  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    53   0.56750  1.0 1.0
   38    33    51    53  -0.07550 -1.0 2.0
   38    33    51    53   0.20000  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    44    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   47    42    46    51   1.00000 -1.0 2.0
   53    57    56    67  10.50000 -1.0 2.0
   56    59    57    58   1.10000 -1.0 2.0
   63    64    58    57   1.10000 -1.0 2.0
   58    67    63    68   1.10000 -1.0 2.0
   73    69    68    63   1.10000 -1.0 2.0
   77    90    73    68   4.00000 -1.0 2.0
   78    79    77    73   4.00000 -1.0 2.0
   82    83    78    77   4.00000 -1.0 2.0
   92    90    82    78   4.00000 -1.0 2.0
   91    73    90    82   1.00000 -1.0 2.0
   82    93    92    97   1.10000 -1.0 2.0
   98   111    97    92   1.10000 -1.0 2.0
   97   100    98    99   1.10000 -1.0 2.0
  102   104    99    98   1.10000 -1.0 2.0
   99   111   102   103  10.50000 -1.0 2.0
  112   102   111    97   1.00000 -1.0 2.0
   98   101   100   108  15.00000 -1.0 2.0
  109   110   108   100  15.00000 -1.0 2.0
   95    87    94    96  10.50000 -1.0 2.0
   75    70    74    76  10.50000 -1.0 2.0
   37    45    44    48  15.00000 -1.0 2.0
   49    50    48    44  15.00000 -1.0 2.0
END
