* LIGAND DATABASE FILE (OPLS2005)
*
001     107   107    193    285     563
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02063    80.12772    54.94393
    3     1 S   H    _H1_     3     1.02143    36.07038  -162.75764
    4     1 S   H    _H2_     4     1.02124    98.56209   -52.71434
    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   110.43906    58.89593
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97283
   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   _C11    36     1.86364   100.87192   159.96768
   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   CT   _C10    37     1.54692   106.44567   160.01127
   38    37 S   HC   _H10    38     1.09594   111.66053   -59.48168
   39    37 S   HC   _H11    39     1.09554   111.55285    60.73182
   40    33 S   CT   _C12    55     1.55528   110.08070   -78.80873
   41    40 S   HC   _H12    56     1.09952   108.59487    61.97295
   42    40 S   HC   _H13    57     1.09877   109.58695   173.59541
   43    33 S   OS   _O36   103     1.44411   111.47948    37.13573
   44    37 S   C    _C9_    40     1.50725   112.23535  -179.81655
   45    44 S   O    _O34    41     1.23254   120.16513     1.67047
   46    40 S   CT   _C13    58     1.52768   116.97965   -61.21485
   47    46 S   HC   _H14    59     1.09341   111.44053    59.98699
   48    46 S   HC   _H15    60     1.09247   112.04735   -62.04714
   49    43 S   CT   _C30   104     1.41975   117.73261    79.46374
   50    49 S   HC   _H38   105     1.09289   109.50263  -180.00000
   51    49 S   HC   _H39   106     1.09266   109.56239    59.18959
   52    49 S   HC   _H40   107     1.09287   108.98820   -60.46397
   53    44 S   N    _N4_    42     1.40365   115.66957  -177.07377
   54    46 S   N    _N5_    61     1.44420   111.17567   178.79960
   55    54 S   H    _H16    62     1.01492   118.57025   -90.01472
   56    53 S   C    _C8_    43     1.41558   128.83194    -1.33031
   57    56 S   O    _O33    44     1.21982   129.94561    -8.64418
   58    54 S   C    _C14    63     1.38758   122.79623    90.04559
   59    58 S   O    _O35    64     1.22757   125.17244    -0.02798
   60    56 S   CM   _C7_    45     1.47290   107.38334   171.16909
   61    60 S   HC   _H9_    46     1.07620   125.02811  -178.35694
   62    58 S   CT   _C15    65     1.52145   111.60327  -178.70306
   63    62 S   HC   _H17    66     1.09692   109.29064   -26.34375
   64    62 S   HC   _H18    67     1.09724   106.99834    89.67414
   65    60 S   CM   _C6_    47     1.33289   107.14928     0.76489
   66    65 S   HC   _H8_    48     1.08178   123.42225  -179.05333
   67    62 S   CT   _C16    68     1.52804   113.51457  -150.04828
   68    67 S   HC   _H19    69     1.09739   108.83185  -177.82976
   69    67 S   HC   _H20    70     1.09614   110.32376   -61.20647
   70    53 S   CT   _C5_    49     1.45838   120.65398   171.93705
   71    70 S   HC   _H3_    50     1.09597   109.00008   -53.43184
   72    67 S   CM   _C17    71     1.50426   111.96103    63.17831
   73    72 S   HC   _H21    72     1.08579   116.08140    59.76910
   74    70 S   CT   _C4_    51     1.52518   112.77349    69.62064
   75    74 S   HC   _H5_    52     1.08940   109.90012    57.76423
   76    74 S   HC   _H6_    53     1.08950   109.86441   -62.25007
   77    74 S   HC   _H7_    54     1.08924   109.88345   177.74155
   78    72 S   CM   _C18    73     1.34227   123.58174  -120.42384
   79    78 S   HC   _H22    74     1.08916   117.83870    -0.17804
   80    78 S   CT   _C19    75     1.51283   127.34558   179.91844
   81    80 S   HC   _H4_    76     1.09941   105.67518    -0.02798
   82    80 S   CT   _C20    77     1.53237   115.96374   117.58973
   83    82 S   HC   _H23    78     1.09508   112.34471    62.82399
   84    82 S   HC   _H24    79     1.09494   110.61548   -57.63704
   85    82 S   HC   _H25    80     1.09594   110.77025  -176.54594
   86    80 S   CT   _C21    81     1.54540   111.13058  -115.06514
   87    86 S   HC   _H26    82     1.09903   108.46619   179.96044
   88    86 S   HC   _H27    83     1.09848   108.64782   -65.46789
   89    86 S   CT   _C22    84     1.53657   115.03448    57.37645
   90    89 S   HC   _H28    85     1.09510   110.33976   -56.08595
   91    89 S   HC   _H29    86     1.09481   110.13223    59.53819
   92    89 S   CM   _C23    87     1.51513   111.58115  -177.80626
   93    92 S   CM   _C24    88     1.34281   123.86929     2.26434
   94    93 S   Cl   Cl1_    89     1.71373   125.81710   178.86754
   95    93 S   HC   _H30    90     1.08277   123.15736    -1.58610
   96    92 S   CT   _C25    91     1.51544   116.49438  -178.80286
   97    96 S   HC   _H31    92     1.09696   108.92732   -28.94986
   98    96 S   HC   _H32    93     1.09837   110.29159  -144.03746
   99    96 S   CT   _C26    94     1.53459   114.53151    93.08590
  100    99 S   HC   _H33    95     1.09848   107.92639   -60.02900
  101    99 S   HC   _H34    96     1.09632   110.42588    55.48069
  102    99 S   CT   _C27    97     1.53086   113.20975   178.95657
  103   102 S   HC   _H35    98     1.09606   109.88071    59.28434
  104   102 S   HC   _H36    99     1.09582   110.18970   -58.59619
  105   102 S   CZ   _C28   100     1.46985   111.16447  -179.68348
  106   105 S   CZ   _C29   101     1.20006   179.77971  -163.04187
  107   106 S   HC   _H37   102     1.06530   179.93744  -151.31368
  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  11   5   4   3
  18   2   1   1  13   6   5  11   6   5   6   9   3   7   4   3
   3   2   1   1  12   7   3   8   4   8   4   6   3   8   5   4
   7   3   7   4   3   5   4   7   3   3   2   1   1  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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    40    41    42    46    43    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    53    40    41    42    46    47    48    54    43    49    50    51    52  
   35    36  
   36  
    0  
   38    39    44    45    53    56    70    40    41    42    46    43    49  
   39    44    45    53    40    43  
   44    45    53    40    43  
   41    42    46    47    48    54    55    58    43    49    44  
   42    46    47    48    54    43  
   46    47    48    54    43  
   49    50    51    52    44    46  
   45    53    56    57    60    65    70    71    74  
   53    56    70  
   47    48    54    55    58    59    62  
   48    54    55    58  
   54    55    58  
   50    51    52  
   51    52  
   52  
    0  
   56    57    60    61    65    66    70    71    74    75    76    77  
   55    58    59    62    63    64    67  
   58    59    62  
   57    60    61    65    66    70    71    74  
   60    61    65    70  
   59    62    63    64    67    68    69    72  
   62    63    64    67  
   61    65    66    70    71    74  
   65    66    70  
   63    64    67    68    69    72    73    78  
   64    67    68    69    72  
   67    68    69    72  
   66    70    71    74    75    76    77  
   70    71    74  
   68    69    72    73    78    79    80  
   69    72    73    78  
   72    73    78  
   71    74    75    76    77  
   74    75    76    77  
   73    78    79    80    81    82    86  
   78    79    80  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82    83    84    85    86    87    88    89  
   80    81    82    86  
   81    82    83    84    85    86    87    88    89    90    91    92  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    89    90    91    92    93    96  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92    93    94    95    96    97    98    99  
   91    92    93    96  
   92    93    96  
   93    94    95    96    97    98    99   100   101   102  
   94    95    96    97    98    99  
   95    96  
   96  
   97    98    99   100   101   102   103   104   105  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102   103   104   105   106  
  101   102   103   104   105  
  102   103   104   105  
  103   104   105   106   107  
  104   105   106  
  105   106  
  106   107  
  107  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.348900   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.2500   0.1700  -0.315000   1.8100   1.6000   0.054801302  -1.445846770
   54   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   93   3.5500   0.0760   0.005000   2.0020   1.7750   0.023028004  -0.852763146
   94   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.6500   0.1500   0.010000   2.0580   1.8250   0.025318638  -1.264311570
  106   3.6500   0.1500  -0.210000   2.0580   1.8250   0.025318638  -1.264311570
  107   2.4200   0.0300   0.200000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    40   268.000  1.529
   33    43   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    53   490.000  1.335
   53    56   490.000  1.335
   53    70   337.000  1.449
   56    57   570.000  1.229
   56    60   410.000  1.444
   60    61   340.000  1.080
   60    65   549.000  1.340
   65    66   340.000  1.080
   65    70   317.000  1.510
   70    71   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   337.000  1.449
   54    55   434.000  1.010
   54    58   490.000  1.335
   58    59   570.000  1.229
   58    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.510
   72    73   340.000  1.080
   72    78   549.000  1.340
   78    79   340.000  1.080
   78    80   317.000  1.510
   80    81   340.000  1.090
   80    82   268.000  1.529
   80    86   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   317.000  1.510
   92    93   549.000  1.340
   92    96   317.000  1.510
   93    94   300.000  1.725
   93    95   340.000  1.080
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   390.000  1.470
  105   106   985.000  1.221
  106   107   410.000  1.067
   43    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    46    58.35000  112.70000
   33    43    49    60.00000  109.50000
   37    44    45    80.00000  120.40000
   37    44    53    70.00000  116.60000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    53    56    70.00000  121.37400
   44    53    70    50.00000  121.90000
   53    44    45    80.00000  122.90000
   53    56    57    80.00000  122.90000
   53    56    60    80.00000  111.56200
   53    70    65    75.00000  110.78400
   53    70    71    35.00000  109.50000
   53    70    74    70.00000  110.72300
   56    60    61    35.00000  119.70000
   56    60    65    70.00000  118.70000
   60    56    57    80.00000  125.30000
   60    65    66    35.00000  120.00000
   60    65    70    70.00000  124.00000
   65    60    61    35.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    74    70.00000  112.02700
   70    53    56    50.00000  121.90000
   70    65    66    35.00000  117.00000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    77    37.50000  110.70000
   74    70    71    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    54    70.00000  110.72300
   42    40    41    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    42    37.50000  110.70000
   46    54    55    38.00000  118.40000
   46    54    58    50.00000  121.90000
   48    46    47    33.00000  107.80000
   54    46    47    35.00000  109.50000
   54    46    48    35.00000  109.50000
   54    58    59    80.00000  122.90000
   54    58    62    70.00000  116.60000
   58    54    55    35.00000  119.80000
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    62    67    63.00000  111.10000
   62    58    59    80.00000  120.40000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    72    70.00000  112.02700
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    72    73    35.00000  117.00000
   67    72    78    70.00000  124.00000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    78    79    35.00000  120.00000
   72    78    80    70.00000  124.00000
   78    72    73    35.00000  120.00000
   78    80    81    35.00000  109.50000
   78    80    82    70.00000  112.02700
   78    80    86    70.00000  112.02700
   80    78    79    35.00000  117.00000
   80    82    83    37.50000  110.70000
   80    82    84    37.50000  110.70000
   80    82    85    37.50000  110.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    89    58.35000  112.70000
   82    80    81    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    80    81    37.50000  110.70000
   86    80    82    58.35000  112.70000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    70.00000  112.02700
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   89    92    93    70.00000  124.00000
   89    92    96    65.00000  117.92700
   91    89    90    33.00000  107.80000
   92    89    90    35.00000  109.50000
   92    89    91    35.00000  109.50000
   92    93    94    75.00000  121.50000
   92    93    95    35.00000  120.00000
   92    96    97    35.00000  109.50000
   92    96    98    35.00000  109.50000
   92    96    99    70.00000  112.02700
   95    93    94    60.00000  114.00000
   96    92    93    70.00000  124.00000
   96    99   100    37.50000  110.70000
   96    99   101    37.50000  110.70000
   96    99   102    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102   104    37.50000  110.70000
   99   102   105    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   105   106    30.00000  179.48800
  104   102   103    33.00000  107.80000
  105   102   103    35.00000  108.50000
  105   102   104    35.00000  108.50000
  105   106   107    20.00000  179.85100
   43    33    37    50.00000  109.50000
   43    33    40    50.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   29    33    43    49   0.14700  1.0 1.0
   29    33    43    49  -1.16150 -1.0 2.0
   29    33    43    49   0.48700  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    53   1.39750  1.0 1.0
   33    37    44    53  -0.07950 -1.0 2.0
   33    37    44    53  -0.18750  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    48   0.15000  1.0 3.0
   33    40    46    54   0.43900  1.0 1.0
   33    40    46    54   0.49100 -1.0 2.0
   33    40    46    54   0.28400  1.0 3.0
   33    43    49    50   0.37050  1.0 3.0
   33    43    49    51   0.37050  1.0 3.0
   33    43    49    52   0.37050  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    46   0.56750  1.0 1.0
   37    33    40    46  -0.07550 -1.0 2.0
   37    33    40    46   0.20000  1.0 3.0
   37    33    43    49   0.06250  1.0 1.0
   37    33    43    49  -0.01100 -1.0 2.0
   37    33    43    49   0.28050  1.0 3.0
   37    44    53    56   2.45000 -1.0 2.0
   37    44    53    70   1.49850  1.0 1.0
   37    44    53    70   1.53950 -1.0 2.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    53   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    53   0.00000  1.0 1.0
   44    53    56    57   2.22250 -1.0 2.0
   44    53    56    60   2.45000 -1.0 2.0
   44    53    70    65  -0.19250  1.0 1.0
   44    53    70    65  -0.00500 -1.0 2.0
   44    53    70    65   0.17000  1.0 3.0
   44    53    70    71   0.00000  1.0 1.0
   44    53    70    74  -0.43950  1.0 1.0
   44    53    70    74  -0.08100 -1.0 2.0
   44    53    70    74   0.03350  1.0 3.0
   45    44    53    56   2.22250 -1.0 2.0
   45    44    53    70   3.04450 -1.0 2.0
   53    56    60    61   0.65100 -1.0 2.0
   53    56   -60    65   0.49500  1.0 1.0
   53    56   -60    65   1.31600 -1.0 2.0
   53    56   -60    65  -0.02300  1.0 3.0
   53    70    74    75   0.15000  1.0 3.0
   53    70    74    76   0.15000  1.0 3.0
   53    70    74    77   0.15000  1.0 3.0
   56    53   -70    65  -0.19250  1.0 1.0
   56    53   -70    65  -0.00500 -1.0 2.0
   56    53   -70    65   0.17000  1.0 3.0
   56    53    70    71   0.00000  1.0 1.0
   56    53    70    74  -0.43950  1.0 1.0
   56    53    70    74  -0.08100 -1.0 2.0
   56    53    70    74   0.03350  1.0 3.0
   56    60    65    66   7.00000 -1.0 2.0
   56    60   -65    70   7.00000 -1.0 2.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    65   1.00000 -1.0 2.0
   60    65   -70    53   0.62150  1.0 1.0
   60    65   -70    53   0.42850 -1.0 2.0
   60    65   -70    53  -0.68200  1.0 3.0
   60    65    70    71   0.00000  1.0 1.0
   60    65    70    74   0.09850  1.0 1.0
   60    65    70    74   0.15250 -1.0 2.0
   60    65    70    74  -0.50650  1.0 3.0
   61    60    65    66   7.00000 -1.0 2.0
   61    60    65    70   7.00000 -1.0 2.0
   65    70    74    75   0.15000  1.0 3.0
   65    70    74    76   0.15000  1.0 3.0
   65    70    74    77   0.15000  1.0 3.0
   66    65    70    53   0.00000  1.0 1.0
   66    65    70    71   0.33100  1.0 3.0
   66    65    70    74   0.00000  1.0 1.0
   70    53    56    57   3.04450 -1.0 2.0
   70    53   -56    60   1.49850  1.0 1.0
   70    53   -56    60   1.53950 -1.0 2.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    77   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    43    49   0.06250  1.0 1.0
   40    33    43    49  -0.01100 -1.0 2.0
   40    33    43    49   0.28050  1.0 3.0
   40    46    54    55   0.00000  1.0 1.0
   40    46    54    58  -0.43950  1.0 1.0
   40    46    54    58  -0.08100 -1.0 2.0
   40    46    54    58   0.03350  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    54   0.15000  1.0 3.0
   42    40    46    47   0.15000  1.0 3.0
   42    40    46    48   0.15000  1.0 3.0
   42    40    46    54   0.15000  1.0 3.0
   46    54    58    59   3.04450 -1.0 2.0
   46    54    58    62   1.49850  1.0 1.0
   46    54    58    62   1.53950 -1.0 2.0
   47    46    54    55   0.00000  1.0 1.0
   47    46    54    58   0.00000  1.0 1.0
   48    46    54    55   0.00000  1.0 1.0
   48    46    54    58   0.00000  1.0 1.0
   54    58    62    63   0.00000  1.0 1.0
   54    58    62    64   0.00000  1.0 1.0
   54    58    62    67   1.39750  1.0 1.0
   54    58    62    67  -0.07950 -1.0 2.0
   54    58    62    67  -0.18750  1.0 3.0
   55    54    58    59   2.45000 -1.0 2.0
   55    54    58    62   2.45000 -1.0 2.0
   58    62    67    68  -0.11250  1.0 3.0
   58    62    67    69  -0.11250  1.0 3.0
   58    62    67    72  -0.98800  1.0 1.0
   58    62    67    72   0.48800 -1.0 2.0
   58    62    67    72   0.76800  1.0 3.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    64   0.00000  1.0 1.0
   59    58    62    67   0.30150 -1.0 2.0
   62    67    72    73   0.00000  1.0 1.0
   62    67    72    78   0.09850  1.0 1.0
   62    67    72    78   0.15250 -1.0 2.0
   62    67    72    78  -0.50650  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    72   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    72   0.15000  1.0 3.0
   67    72    78    79   7.00000 -1.0 2.0
   67    72    78    80   7.00000 -1.0 2.0
   68    67    72    73   0.33100  1.0 3.0
   68    67    72    78   0.00000  1.0 1.0
   69    67    72    73   0.33100  1.0 3.0
   69    67    72    78   0.00000  1.0 1.0
   72    78    80    81   0.00000  1.0 1.0
   72    78    80    82   0.09850  1.0 1.0
   72    78    80    82   0.15250 -1.0 2.0
   72    78    80    82  -0.50650  1.0 3.0
   72    78    80    86   0.09850  1.0 1.0
   72    78    80    86   0.15250 -1.0 2.0
   72    78    80    86  -0.50650  1.0 3.0
   73    72    78    79   7.00000 -1.0 2.0
   73    72    78    80   7.00000 -1.0 2.0
   78    80    82    83   0.15000  1.0 3.0
   78    80    82    84   0.15000  1.0 3.0
   78    80    82    85   0.15000  1.0 3.0
   78    80    86    87   0.15000  1.0 3.0
   78    80    86    88   0.15000  1.0 3.0
   78    80    86    89   0.34400  1.0 1.0
   78    80    86    89   0.09450 -1.0 2.0
   78    80    86    89   0.11100  1.0 3.0
   79    78    80    81   0.33100  1.0 3.0
   79    78    80    82   0.00000  1.0 1.0
   79    78    80    86   0.00000  1.0 1.0
   80    86    89    90   0.15000  1.0 3.0
   80    86    89    91   0.15000  1.0 3.0
   80    86    89    92   0.34400  1.0 1.0
   80    86    89    92   0.09450 -1.0 2.0
   80    86    89    92   0.11100  1.0 3.0
   81    80    82    83   0.15000  1.0 3.0
   81    80    82    84   0.15000  1.0 3.0
   81    80    82    85   0.15000  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    89   0.15000  1.0 3.0
   82    80    86    87   0.15000  1.0 3.0
   82    80    86    88   0.15000  1.0 3.0
   82    80    86    89   0.56750  1.0 1.0
   82    80    86    89  -0.07550 -1.0 2.0
   82    80    86    89   0.20000  1.0 3.0
   86    80    82    83   0.15000  1.0 3.0
   86    80    82    84   0.15000  1.0 3.0
   86    80    82    85   0.15000  1.0 3.0
   86    89    92    93   0.09850  1.0 1.0
   86    89    92    93   0.15250 -1.0 2.0
   86    89    92    93  -0.50650  1.0 3.0
   86    89    92    96   0.46850  1.0 1.0
   86    89    92    96   0.08550 -1.0 2.0
   86    89    92    96   0.09800  1.0 3.0
   87    86    89    90   0.15000  1.0 3.0
   87    86    89    91   0.15000  1.0 3.0
   87    86    89    92   0.15000  1.0 3.0
   88    86    89    90   0.15000  1.0 3.0
   88    86    89    91   0.15000  1.0 3.0
   88    86    89    92   0.15000  1.0 3.0
   89    92    93    94   7.00000 -1.0 2.0
   89    92    93    95   7.00000 -1.0 2.0
   89    92    96    97   0.34800  1.0 3.0
   89    92    96    98   0.34800  1.0 3.0
   89    92    96    99   0.46850  1.0 1.0
   89    92    96    99   0.08550 -1.0 2.0
   89    92    96    99   0.09800  1.0 3.0
   90    89    92    93   0.00000  1.0 1.0
   90    89    92    96   0.34800  1.0 3.0
   91    89    92    93   0.00000  1.0 1.0
   91    89    92    96   0.34800  1.0 3.0
   92    96    99   100   0.15000  1.0 3.0
   92    96    99   101   0.15000  1.0 3.0
   92    96    99   102   0.34400  1.0 1.0
   92    96    99   102   0.09450 -1.0 2.0
   92    96    99   102   0.11100  1.0 3.0
   93    92    96    97   0.00000  1.0 1.0
   93    92    96    98   0.00000  1.0 1.0
   93    92    96    99   0.09850  1.0 1.0
   93    92    96    99   0.15250 -1.0 2.0
   93    92    96    99  -0.50650  1.0 3.0
   96    92    93    94   7.00000 -1.0 2.0
   96    92    93    95   7.00000 -1.0 2.0
   96    99   102   103   0.15000  1.0 3.0
   96    99   102   104   0.15000  1.0 3.0
   96    99   102   105  -0.74000  1.0 1.0
   96    99   102   105   0.24050 -1.0 2.0
   96    99   102   105   0.24650  1.0 3.0
   97    96    99   100   0.15000  1.0 3.0
   97    96    99   101   0.15000  1.0 3.0
   97    96    99   102   0.15000  1.0 3.0
   98    96    99   100   0.15000  1.0 3.0
   98    96    99   101   0.15000  1.0 3.0
   98    96    99   102   0.15000  1.0 3.0
   99   102   105   106   0.00000  1.0 1.0
  100    99   102   103   0.15000  1.0 3.0
  100    99   102   104   0.15000  1.0 3.0
  100    99   102   105   0.15000  1.0 3.0
  101    99   102   103   0.15000  1.0 3.0
  101    99   102   104   0.15000  1.0 3.0
  101    99   102   105   0.15000  1.0 3.0
  102   105   106   107   0.00000  1.0 1.0
  103   102   105   106   0.00000  1.0 1.0
  104   102   105   106   0.00000  1.0 1.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    44  -0.09450  1.0 1.0
   43    33    37    44  -1.12950 -1.0 2.0
   43    33    37    44   0.54000  1.0 3.0
   43    33    40    41   0.23400  1.0 3.0
   43    33    40    42   0.23400  1.0 3.0
   43    33    40    46   0.62750  1.0 1.0
   43    33    40    46  -0.30950 -1.0 2.0
   43    33    40    46   0.27300  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
   37    53    44    45  10.50000 -1.0 2.0
   70    44    53    56   1.00000 -1.0 2.0
   53    60    56    57  10.50000 -1.0 2.0
   56    61    60    65   1.10000 -1.0 2.0
   70    66    65    60   1.10000 -1.0 2.0
   55    58    54    46   1.00000 -1.0 2.0
   54    62    58    59  10.50000 -1.0 2.0
   67    73    72    78  15.00000 -1.0 2.0
   80    79    78    72  15.00000 -1.0 2.0
   89    96    92    93  15.00000 -1.0 2.0
   94    95    93    92  15.00000 -1.0 2.0
END
