* LIGAND DATABASE FILE (OPLS2005)
*
001     106   106    190    280     553
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02027    94.03490    33.43646
    3     1 S   H    _H1_     3     1.02164    33.46253   151.85394
    4     1 S   H    _H2_     4     1.02096    86.20197   -75.06097
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C6_    36     1.81276    98.41083   -78.14939
   34    33 S   HC   _H4_    37     1.09642   107.51909    41.98037
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C7_    38     1.49433   110.68297   159.95079
   39    38 S   HC   _H9_    39     1.08399   123.33055   -44.71467
   40    38 S   CMA  _C8_    40     1.34521   112.83041   139.45835
   41    40 S   OM   _O36    41     1.25807   131.70790   176.57092
   42    40 S   N    _N4_    42     1.41072   109.74044    -2.25412
   43    33 S   CT   _C5_    43     1.54411   118.54882   -83.22379
   44    43 S   HC   _H3_    44     1.09549   108.94359   105.30597
   45    42 S   C    _C9_    49     1.40208   125.94574   170.06825
   46    45 S   O    _O33    50     1.23264   126.16981     0.07402
   47    43 S   CT   _C4_    45     1.53541   115.46884   -17.90201
   48    47 S   HC   _H6_    46     1.08654   109.39206   -56.89097
   49    47 S   HC   _H7_    47     1.08669   109.42242  -176.84539
   50    47 S   HC   _H8_    48     1.08643   109.47592    63.11864
   51    45 S   CM   _C10    51     1.47904   117.21321  -178.71564
   52    51 S   HC   _H10    52     1.08368   116.83407   -90.19370
   53    51 S   CM   _C11    53     1.34013   121.44587    90.01618
   54    53 S   CT   _C12    54     1.50982   122.28788     0.04423
   55    54 S   HC   _H11    55     1.09684   108.37860    89.97008
   56    54 S   HC   _H12    56     1.09718   110.35553   -25.95245
   57    53 S   OS   _O35   102     1.38218   121.73711   178.45427
   58    54 S   CT   _C13    57     1.52847   113.22428  -148.86166
   59    58 S   HC   _H13    58     1.09460   111.96609   -60.03518
   60    58 S   HC   _H14    59     1.09488   109.54537  -179.83449
   61    57 S   CT   _C30   103     1.40638   112.54869   -90.00135
   62    61 S   HC   _H36   104     1.09184   109.50373   179.97202
   63    61 S   HC   _H37   105     1.09368   109.49574    59.17219
   64    61 S   HC   _H38   106     1.09243   108.95567   -60.39195
   65    58 S   N    _N5_    60     1.44398   112.63646    61.41220
   66    65 S   H    _H15    61     1.01638   117.83673    62.47995
   67    65 S   C    _C14    62     1.38416   122.66892  -120.05977
   68    67 S   O    _O34    63     1.22956   125.39591     0.07662
   69    67 S   CT   _C15    64     1.51675   112.96449  -179.47885
   70    69 S   HC   _H16    65     1.09659   108.47643   -56.91298
   71    69 S   HC   _H17    66     1.09681   108.42840    58.77231
   72    69 S   CT   _C16    67     1.52810   112.36625  -179.97202
   73    72 S   HC   _H18    68     1.09615   110.33889    57.78627
   74    72 S   HC   _H19    69     1.09675   108.93285   -58.84767
   75    72 S   CM   _C17    70     1.50232   112.07680  -178.37623
   76    75 S   HC   _H20    71     1.08737   116.77859    56.55228
   77    75 S   CM   _C18    72     1.34134   123.71269  -123.62829
   78    77 S   HC   _H21    73     1.08807   119.19739     0.10835
   79    77 S   CT   _C19    74     1.50820   123.79232   179.74899
   80    79 S   HC   _H5_    75     1.09837   109.91253     0.03956
   81    79 S   CT   _C20    76     1.53175   109.19191   117.75620
   82    81 S   HC   _H22    77     1.09574   110.99744    60.78061
   83    81 S   HC   _H23    78     1.09562   110.68893  -179.73020
   84    81 S   HC   _H24    79     1.09569   111.55496   -59.61309
   85    79 S   CT   _C21    80     1.54158   111.76577  -120.28676
   86    85 S   HC   _H25    81     1.09879   109.82900   180.00000
   87    85 S   HC   _H26    82     1.09769   108.64815   -64.05434
   88    85 S   CT   _C22    83     1.53479   112.94369    57.24364
   89    88 S   HC   _H27    84     1.09547   110.33743    59.49697
   90    88 S   HC   _H28    85     1.09739   109.71734   -55.73317
   91    88 S   CM   _C23    86     1.51956   111.97986  -177.17181
   92    91 S   CM   _C24    87     1.34321   122.81700   116.69836
   93    92 S   Cl   Cl1_    88     1.71615   125.71673  -178.95826
   94    92 S   HC   _H29    89     1.08137   124.14925     0.07402
   95    91 S   CT   _C25    90     1.52278   113.99596   -62.35430
   96    95 S   HC   _H30    91     1.09640   108.09674    59.04056
   97    95 S   HC   _H31    92     1.09712   107.46653   173.96269
   98    95 S   CT   _C26    93     1.53773   117.24035   -63.27886
   99    98 S   HC   _H32    94     1.09759   110.01201    60.01502
  100    98 S   HC   _H33    95     1.09784   109.09498   177.45639
  101    98 S   CT   _C27    96     1.53168   112.79088   -62.64606
  102   101 S   HC   _H34    97     1.09636   108.65709   -56.69907
  103   101 S   HC   _H35    98     1.09600   110.02440    59.86250
  104   101 S   CZ   _C28    99     1.46900   112.30314  -177.14961
  105   104 S   CZ   _C29   100     1.20032   179.95577   106.49232
  106   105 S   Br   Br1_   101     1.89966   179.81655  -151.44644
  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
  13   7   2   1   1   8   4   8   3  11   8   5   7   3   3   2
   1   1   8   3  12  10   6   5   5   7   4   3   3   2   1   1
   7   3   8   4   8   5   4   7   4   3   7   3  11   4  12   8
   7   3   2   1   8   5   4  10   4   3  10   6   2   1   9   5
   4   7   5   4   5   3   2   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    48    49    50    45  
   38    39    40    42    43    44    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    45  
   40    41    42    43  
   41    42    43    44    47    45    46    51  
   42    43    45  
   43    44    47    48    49    50    45    46    51    52    53  
   44    47    48    49    50    45    46    51  
   47    48    49    50    45  
   46    51    52    53    54    57    47  
   51    52    53  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    58    57    61  
   53    54    57  
   54    55    56    58    59    60    65    57    61    62    63    64  
   55    56    58    59    60    65    66    67    57    61  
   56    58    59    60    65    57  
   58    59    60    65    57  
   61    62    63    64    58  
   59    60    65    66    67    68    69  
   60    65    66    67  
   65    66    67  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69    70    71    72    73    74    75  
   69    70    71    72  
   70    71    72    73    74    75    76    77  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76    77    78    79  
   74    75    76    77  
   75    76    77  
   76    77    78    79    80    81    85  
   77    78    79  
   78    79    80    81    82    83    84    85    86    87    88  
   79    80    81    85  
   80    81    82    83    84    85    86    87    88    89    90    91  
   81    82    83    84    85    86    87    88  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88    89    90    91    92    95  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91    92    93    94    95    96    97    98  
   90    91    92    95  
   91    92    95  
   92    93    94    95    96    97    98    99   100   101  
   93    94    95    96    97    98  
   94    95  
   95  
   96    97    98    99   100   101   102   103   104  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101   102   103   104   105  
  100   101   102   103   104  
  101   102   103   104  
  102   103   104   105   106  
  103   104   105  
  104   105  
  105   106  
  106  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.592500   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.171700   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   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   66   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   67   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   92   3.5500   0.0760   0.005000   2.0020   1.7750   0.023028004  -0.852763146
   93   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
  105   3.6500   0.1500  -0.078600   2.0580   1.8250   0.025318638  -1.264311570
  106   3.4700   0.4700   0.078600   2.8000   2.5000   0.001000000  -0.686339560
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    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   400.000  1.384
   42    43   337.000  1.449
   42    45   490.000  1.335
   43    44   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   45    46   570.000  1.229
   45    51   410.000  1.444
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   317.000  1.510
   53    57   440.000  1.360
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    65   337.000  1.449
   65    66   434.000  1.010
   65    67   490.000  1.335
   67    68   570.000  1.229
   67    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.510
   75    76   340.000  1.080
   75    77   549.000  1.340
   77    78   340.000  1.080
   77    79   317.000  1.510
   79    80   340.000  1.090
   79    81   268.000  1.529
   79    85   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   317.000  1.510
   91    92   549.000  1.340
   91    95   317.000  1.510
   92    93   300.000  1.725
   92    94   340.000  1.080
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   390.000  1.470
  104   105   985.000  1.221
  105   106   265.000  1.829
   57    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    70.00000  110.72300
   33    43    44    37.50000  110.70000
   33    43    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    75.00000  120.83300
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  119.94800
   40    42    45    70.00000  120.89900
   42    40    41   110.00000  107.01400
   42    43    44    35.00000  109.50000
   42    43    47    70.00000  110.72300
   42    45    46    80.00000  122.90000
   42    45    51    80.00000  111.56200
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   47    43    44    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   45    42    43    50.00000  121.90000
   45    51    52    35.00000  119.70000
   45    51    53    70.00000  118.70000
   51    45    46    80.00000  125.30000
   51    53    54    70.00000  124.00000
   51    53    57    80.00000  120.01400
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   53    54    58    70.00000  112.02700
   53    57    61    90.00000  111.18400
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    65    70.00000  110.72300
   56    54    55    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   58    65    66    38.00000  118.40000
   58    65    67    50.00000  121.90000
   60    58    59    33.00000  107.80000
   65    58    59    35.00000  109.50000
   65    58    60    35.00000  109.50000
   65    67    68    80.00000  122.90000
   65    67    69    70.00000  116.60000
   67    65    66    35.00000  119.80000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    63.00000  111.10000
   69    67    68    80.00000  120.40000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    70.00000  112.02700
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    35.00000  117.00000
   72    75    77    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    77    78    35.00000  120.00000
   75    77    79    70.00000  124.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  109.50000
   77    79    81    70.00000  112.02700
   77    79    85    70.00000  112.02700
   79    77    78    35.00000  117.00000
   79    81    82    37.50000  110.70000
   79    81    83    37.50000  110.70000
   79    81    84    37.50000  110.70000
   79    85    86    37.50000  110.70000
   79    85    87    37.50000  110.70000
   79    85    88    58.35000  112.70000
   81    79    80    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    79    80    37.50000  110.70000
   85    79    81    58.35000  112.70000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    91    70.00000  112.02700
   87    85    86    33.00000  107.80000
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   88    91    92    70.00000  124.00000
   88    91    95    65.00000  117.92700
   90    88    89    33.00000  107.80000
   91    88    89    35.00000  109.50000
   91    88    90    35.00000  109.50000
   91    92    93    75.00000  121.50000
   91    92    94    35.00000  120.00000
   91    95    96    35.00000  109.50000
   91    95    97    35.00000  109.50000
   91    95    98    70.00000  112.02700
   94    92    93    60.00000  114.00000
   95    91    92    70.00000  124.00000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   104    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   104   105    30.00000  179.48800
  103   101   102    33.00000  107.80000
  104   101   102    35.00000  108.50000
  104   101   103    35.00000  108.50000
  104   105   106    30.00000  180.00000
   57    53    54    85.00000  112.85300
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.56750  1.0 1.0
   29    33    43    42  -0.07550 -1.0 2.0
   29    33    43    42   0.20000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    47   0.44750  1.0 1.0
   29    33    43    47  -0.17800 -1.0 2.0
   29    33    43    47   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    47    48   0.15000  1.0 3.0
   33    43    47    49   0.15000  1.0 3.0
   33    43    47    50   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    47   0.15000  1.0 3.0
   38    33   -43    42   0.21700  1.0 1.0
   38    33   -43    42   0.68550 -1.0 2.0
   38    33   -43    42  -0.27950  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    47   0.34400  1.0 1.0
   38    33    43    47   0.09450 -1.0 2.0
   38    33    43    47   0.11100  1.0 3.0
   38    40   -42    43  -0.88150  1.0 1.0
   38    40   -42    43   2.95600 -1.0 2.0
   38    40    42    45  -0.18900  1.0 1.0
   38    40    42    45   1.70900 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33  -0.05900 -1.0 2.0
   40    42    43    44   0.00000  1.0 1.0
   40    42    43    47  -0.05900 -1.0 2.0
   40    42    45    46   2.67200 -1.0 2.0
   40    42    45    51   2.45000 -1.0 2.0
   41    40    42    43   1.00000 -1.0 2.0
   41    40    42    45  -0.56400  1.0 1.0
   41    40    42    45   0.77500 -1.0 2.0
   41    40    42    45   0.18700  1.0 3.0
   42    43    47    48   0.15000  1.0 3.0
   42    43    47    49   0.15000  1.0 3.0
   42    43    47    50   0.15000  1.0 3.0
   42    45    51    52   0.65100 -1.0 2.0
   42    45    51    53   0.49500  1.0 1.0
   42    45    51    53   1.31600 -1.0 2.0
   42    45    51    53  -0.02300  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    46   3.04450 -1.0 2.0
   43    42    45    51   1.49850  1.0 1.0
   43    42    45    51   1.53950 -1.0 2.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   45    42    43    33  -0.43950  1.0 1.0
   45    42    43    33  -0.08100 -1.0 2.0
   45    42    43    33   0.03350  1.0 3.0
   45    42    43    44   0.00000  1.0 1.0
   45    42    43    47  -0.43950  1.0 1.0
   45    42    43    47  -0.08100 -1.0 2.0
   45    42    43    47   0.03350  1.0 3.0
   45    51    53    54   7.00000 -1.0 2.0
   45    51    53    57   7.00000 -1.0 2.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    53   1.00000 -1.0 2.0
   51    53    54    55   0.00000  1.0 1.0
   51    53    54    56   0.00000  1.0 1.0
   51    53    54    58   0.09850  1.0 1.0
   51    53    54    58   0.15250 -1.0 2.0
   51    53    54    58  -0.50650  1.0 3.0
   51    53    57    61  -2.26850  1.0 1.0
   51    53    57    61   3.39050 -1.0 2.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    57   7.00000 -1.0 2.0
   53    54    58    59   0.15000  1.0 3.0
   53    54    58    60   0.15000  1.0 3.0
   53    54    58    65   0.21700  1.0 1.0
   53    54    58    65   0.68550 -1.0 2.0
   53    54    58    65  -0.27950  1.0 3.0
   53    57    61    62   0.08050  1.0 3.0
   53    57    61    63   0.08050  1.0 3.0
   53    57    61    64   0.08050  1.0 3.0
   54    53    57    61   2.00000 -1.0 2.0
   54    58    65    66   0.00000  1.0 1.0
   54    58    65    67  -0.43950  1.0 1.0
   54    58    65    67  -0.08100 -1.0 2.0
   54    58    65    67   0.03350  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    65   0.15000  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    60   0.15000  1.0 3.0
   56    54    58    65   0.15000  1.0 3.0
   58    65    67    68   3.04450 -1.0 2.0
   58    65    67    69   1.49850  1.0 1.0
   58    65    67    69   1.53950 -1.0 2.0
   59    58    65    66   0.00000  1.0 1.0
   59    58    65    67   0.00000  1.0 1.0
   60    58    65    66   0.00000  1.0 1.0
   60    58    65    67   0.00000  1.0 1.0
   65    67    69    70   0.00000  1.0 1.0
   65    67    69    71   0.00000  1.0 1.0
   65    67    69    72   1.39750  1.0 1.0
   65    67    69    72  -0.07950 -1.0 2.0
   65    67    69    72  -0.18750  1.0 3.0
   66    65    67    68   2.45000 -1.0 2.0
   66    65    67    69   2.45000 -1.0 2.0
   67    69    72    73  -0.11250  1.0 3.0
   67    69    72    74  -0.11250  1.0 3.0
   67    69    72    75  -0.98800  1.0 1.0
   67    69    72    75   0.48800 -1.0 2.0
   67    69    72    75   0.76800  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    69    72   0.30150 -1.0 2.0
   69    72    75    76   0.00000  1.0 1.0
   69    72    75    77   0.09850  1.0 1.0
   69    72    75    77   0.15250 -1.0 2.0
   69    72    75    77  -0.50650  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   72    75    77    78   7.00000 -1.0 2.0
   72    75    77    79   7.00000 -1.0 2.0
   73    72    75    76   0.33100  1.0 3.0
   73    72    75    77   0.00000  1.0 1.0
   74    72    75    76   0.33100  1.0 3.0
   74    72    75    77   0.00000  1.0 1.0
   75    77    79    80   0.00000  1.0 1.0
   75    77    79    81   0.09850  1.0 1.0
   75    77    79    81   0.15250 -1.0 2.0
   75    77    79    81  -0.50650  1.0 3.0
   75    77    79    85   0.09850  1.0 1.0
   75    77    79    85   0.15250 -1.0 2.0
   75    77    79    85  -0.50650  1.0 3.0
   76    75    77    78   7.00000 -1.0 2.0
   76    75    77    79   7.00000 -1.0 2.0
   77    79    81    82   0.15000  1.0 3.0
   77    79    81    83   0.15000  1.0 3.0
   77    79    81    84   0.15000  1.0 3.0
   77    79    85    86   0.15000  1.0 3.0
   77    79    85    87   0.15000  1.0 3.0
   77    79    85    88   0.34400  1.0 1.0
   77    79    85    88   0.09450 -1.0 2.0
   77    79    85    88   0.11100  1.0 3.0
   78    77    79    80   0.33100  1.0 3.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    85   0.00000  1.0 1.0
   79    85    88    89   0.15000  1.0 3.0
   79    85    88    90   0.15000  1.0 3.0
   79    85    88    91   0.34400  1.0 1.0
   79    85    88    91   0.09450 -1.0 2.0
   79    85    88    91   0.11100  1.0 3.0
   80    79    81    82   0.15000  1.0 3.0
   80    79    81    83   0.15000  1.0 3.0
   80    79    81    84   0.15000  1.0 3.0
   80    79    85    86   0.15000  1.0 3.0
   80    79    85    87   0.15000  1.0 3.0
   80    79    85    88   0.15000  1.0 3.0
   81    79    85    86   0.15000  1.0 3.0
   81    79    85    87   0.15000  1.0 3.0
   81    79    85    88   0.56750  1.0 1.0
   81    79    85    88  -0.07550 -1.0 2.0
   81    79    85    88   0.20000  1.0 3.0
   85    79    81    82   0.15000  1.0 3.0
   85    79    81    83   0.15000  1.0 3.0
   85    79    81    84   0.15000  1.0 3.0
   85    88    91    92   0.09850  1.0 1.0
   85    88    91    92   0.15250 -1.0 2.0
   85    88    91    92  -0.50650  1.0 3.0
   85    88    91    95   0.46850  1.0 1.0
   85    88    91    95   0.08550 -1.0 2.0
   85    88    91    95   0.09800  1.0 3.0
   86    85    88    89   0.15000  1.0 3.0
   86    85    88    90   0.15000  1.0 3.0
   86    85    88    91   0.15000  1.0 3.0
   87    85    88    89   0.15000  1.0 3.0
   87    85    88    90   0.15000  1.0 3.0
   87    85    88    91   0.15000  1.0 3.0
   88    91    92    93   7.00000 -1.0 2.0
   88    91    92    94   7.00000 -1.0 2.0
   88    91    95    96   0.34800  1.0 3.0
   88    91    95    97   0.34800  1.0 3.0
   88    91    95    98   0.46850  1.0 1.0
   88    91    95    98   0.08550 -1.0 2.0
   88    91    95    98   0.09800  1.0 3.0
   89    88    91    92   0.00000  1.0 1.0
   89    88    91    95   0.34800  1.0 3.0
   90    88    91    92   0.00000  1.0 1.0
   90    88    91    95   0.34800  1.0 3.0
   91    95    98    99   0.15000  1.0 3.0
   91    95    98   100   0.15000  1.0 3.0
   91    95    98   101   0.34400  1.0 1.0
   91    95    98   101   0.09450 -1.0 2.0
   91    95    98   101   0.11100  1.0 3.0
   92    91    95    96   0.00000  1.0 1.0
   92    91    95    97   0.00000  1.0 1.0
   92    91    95    98   0.09850  1.0 1.0
   92    91    95    98   0.15250 -1.0 2.0
   92    91    95    98  -0.50650  1.0 3.0
   95    91    92    93   7.00000 -1.0 2.0
   95    91    92    94   7.00000 -1.0 2.0
   95    98   101   102   0.15000  1.0 3.0
   95    98   101   103   0.15000  1.0 3.0
   95    98   101   104  -0.74000  1.0 1.0
   95    98   101   104   0.24050 -1.0 2.0
   95    98   101   104   0.24650  1.0 3.0
   96    95    98    99   0.15000  1.0 3.0
   96    95    98   100   0.15000  1.0 3.0
   96    95    98   101   0.15000  1.0 3.0
   97    95    98    99   0.15000  1.0 3.0
   97    95    98   100   0.15000  1.0 3.0
   97    95    98   101   0.15000  1.0 3.0
   98   101   104   105   0.00000  1.0 1.0
   99    98   101   102   0.15000  1.0 3.0
   99    98   101   103   0.15000  1.0 3.0
   99    98   101   104   0.15000  1.0 3.0
  100    98   101   102   0.15000  1.0 3.0
  100    98   101   103   0.15000  1.0 3.0
  100    98   101   104   0.15000  1.0 3.0
  101   104   105   106   0.00000  1.0 1.0
  102   101   104   105   0.00000  1.0 1.0
  103   101   104   105   0.00000  1.0 1.0
   57    53    54    55   0.00000  1.0 1.0
   57    53    54    56   0.00000  1.0 1.0
   57    53    54    58   0.09700  1.0 1.0
   57    53    54    58   0.15600 -1.0 2.0
   57    53    54    58  -0.50800  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    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    45    42    40   1.00000 -1.0 2.0
   42    51    45    46  10.50000 -1.0 2.0
   45    52    51    53  15.00000 -1.0 2.0
   54    57    53    51  15.00000 -1.0 2.0
   66    67    65    58   1.00000 -1.0 2.0
   65    69    67    68  10.50000 -1.0 2.0
   72    76    75    77  15.00000 -1.0 2.0
   79    78    77    75  15.00000 -1.0 2.0
   88    95    91    92  15.00000 -1.0 2.0
   93    94    92    91  15.00000 -1.0 2.0
END
