* LIGAND DATABASE FILE (OPLS2005)
*
001     107   107    193    284     562
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02101    32.85316   166.10153
    3     1 S   H    _H1_     3     1.02065    90.40123   -68.52209
    4     1 S   H    _H2_     4     1.02078    90.15889    40.17227
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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     1.83295    97.84603  -178.15751
   34    33 S   HC   _H4_    37     1.09686   107.10678    42.28077
   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   CT   _C7_    38     1.52334   110.68805   -79.97569
   39    38 S   HC   _H9_    39     1.09528   111.03665   156.72571
   40    38 S   HC   _H10    40     1.09360   114.01432    33.32583
   41    38 S   C    _C8_    41     1.51276   103.88177   -87.73180
   42    41 S   O    _O33    42     1.22274   123.15597   161.24514
   43    41 S   N    _N4_    43     1.42742   107.62399   -20.03262
   44    33 S   CT   _C5_    44     1.52739   110.82355   165.99836
   45    44 S   HC   _H3_    45     1.09712   112.66149   -31.59719
   46    43 S   C    _C9_    50     1.40522   130.51238   177.54266
   47    46 S   O    _O34    51     1.23098   124.55268   179.93744
   48    44 S   CT   _C4_    46     1.53156   111.56821  -152.86625
   49    48 S   HC   _H6_    47     1.08652   109.60728   -55.79953
   50    48 S   HC   _H7_    48     1.08667   109.58450  -175.91582
   51    48 S   HC   _H8_    49     1.08850   109.56222    64.13795
   52    46 S   CM   _C10    52     1.47438   116.93221    -1.02316
   53    52 S   HC   _H11    53     1.08340   116.83250    89.80997
   54    52 S   CM   _C11    54     1.34029   121.42491   -90.02871
   55    54 S   CT   _C12    55     1.50859   122.33922     0.08156
   56    55 S   HC   _H12    56     1.09676   108.45710   149.95711
   57    55 S   HC   _H13    57     1.09728   110.36085    34.03582
   58    54 S   OS   _O36   103     1.38252   121.68782   178.44204
   59    55 S   CT   _C13    58     1.52829   113.24646   -88.86979
   60    59 S   HC   _H14    59     1.09443   111.92444    59.99823
   61    59 S   HC   _H15    60     1.09445   109.58623   -59.85749
   62    58 S   CT   _C30   104     1.40640   112.56496   -89.98801
   63    62 S   HC   _H38   105     1.09252   109.47638  -179.97202
   64    62 S   HC   _H39   106     1.09249   109.46350    59.20040
   65    62 S   HC   _H40   107     1.09271   108.96041   -60.37918
   66    59 S   N    _N5_    61     1.44486   112.63578  -178.61464
   67    66 S   H    _H16    62     1.01518   118.57962   -89.98887
   68    66 S   C    _C14    63     1.38726   122.83401    90.01741
   69    68 S   O    _O35    64     1.22750   125.11546    -0.02798
   70    68 S   CT   _C15    65     1.52083   111.65127  -178.72313
   71    70 S   HC   _H17    66     1.09723   109.27430   -56.29837
   72    70 S   HC   _H18    67     1.09662   106.99161    59.67099
   73    70 S   CT   _C16    68     1.52826   113.57919   179.97202
   74    73 S   HC   _H19    69     1.09621   108.80175   -57.82814
   75    73 S   HC   _H20    70     1.09627   110.25831    58.81395
   76    73 S   CM   _C17    71     1.50391   111.95641  -176.91345
   77    76 S   HC   _H21    72     1.08573   116.06440   -60.14390
   78    76 S   CM   _C18    73     1.34232   123.54985   119.63218
   79    78 S   HC   _H22    74     1.08930   117.88210    -0.14402
   80    78 S   CT   _C19    75     1.51316   127.29128   179.94065
   81    80 S   HC   _H5_    76     1.09984   105.72060  -119.94729
   82    80 S   CT   _C20    77     1.53306   115.94913    -2.41151
   83    82 S   HC   _H23    78     1.09385   112.36735    62.81927
   84    82 S   HC   _H24    79     1.09551   110.58175   -57.62770
   85    82 S   HC   _H25    80     1.09555   110.77599  -176.52588
   86    80 S   CT   _C21    81     1.54501   111.13194   124.93148
   87    86 S   HC   _H26    82     1.09736   108.47954    59.97116
   88    86 S   HC   _H27    83     1.09868   108.61714   174.53797
   89    86 S   CT   _C22    84     1.53677   114.97922   -62.66458
   90    89 S   HC   _H28    85     1.09469   110.37913   -56.12192
   91    89 S   HC   _H29    86     1.09499   110.11587    59.61637
   92    89 S   CM   _C23    87     1.51524   111.53805  -177.80438
   93    92 S   CM   _C24    88     1.34248   123.91872   -87.64966
   94    93 S   Cl   Cl1_    89     1.71387   125.83825   178.91394
   95    93 S   HC   _H30    90     1.08252   123.14000    -1.64770
   96    92 S   CT   _C25    91     1.51623   116.47554    91.26132
   97    96 S   HC   _H31    92     1.09707   108.88162   -28.97769
   98    96 S   HC   _H32    93     1.09827   110.25669  -143.98543
   99    96 S   CT   _C26    94     1.53406   114.54561    93.03882
  100    99 S   HC   _H33    95     1.09840   107.99516   -59.95478
  101    99 S   HC   _H34    96     1.09679   110.33741    55.48952
  102    99 S   CT   _C27    97     1.53064   113.20904   178.93394
  103   102 S   HC   _H35    98     1.09655   109.82264    59.34272
  104   102 S   HC   _H36    99     1.09553   110.24848   -58.58859
  105   102 S   CZ   _C28   100     1.46985   111.16219  -179.64064
  106   105 S   CZ   _C29   101     1.20070   179.75213  -146.75410
  107   106 S   HC   _H37   102     1.06479   179.84423  -152.56788
  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  10   5   4   3
  14   8   2   1   1   9   5   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    48    49    50    51    46  
   38    39    40    41    43    44    45    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    46  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    48    46    47    52  
   43    44    46  
   44    45    48    49    50    51    46    47    52    53    54  
   45    48    49    50    51    46    47    52  
   48    49    50    51    46  
   47    52    53    54    55    58    48  
   52    53    54  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56    57    59    58    62  
   54    55    58  
   55    56    57    59    60    61    66    58    62    63    64    65  
   56    57    59    60    61    66    67    68    58    62  
   57    59    60    61    66    58  
   59    60    61    66    58  
   62    63    64    65    59  
   60    61    66    67    68    69    70  
   61    66    67    68  
   66    67    68  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70    71    72    73    74    75    76  
   70    71    72    73  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80  
   75    76    77    78  
   76    77    78  
   77    78    79    80    81    82    86  
   78    79    80  
   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  -0.335000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   43   3.2500   0.1700  -0.315000   1.8100   1.6000   0.054801302  -1.445846770
   44   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   67   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   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    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   268.000  1.529
   33    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   490.000  1.335
   43    44   337.000  1.449
   43    46   490.000  1.335
   44    45   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   46    47   570.000  1.229
   46    52   410.000  1.444
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   317.000  1.510
   54    58   440.000  1.360
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   337.000  1.449
   66    67   434.000  1.010
   66    68   490.000  1.335
   68    69   570.000  1.229
   68    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.510
   76    77   340.000  1.080
   76    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
   58    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    70.00000  110.72300
   33    44    45    37.50000  110.70000
   33    44    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.60000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    50.00000  121.90000
   41    43    46    70.00000  121.37400
   43    41    42    80.00000  122.90000
   43    44    45    35.00000  109.50000
   43    44    48    70.00000  110.72300
   43    46    47    80.00000  122.90000
   43    46    52    80.00000  111.56200
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    51    37.50000  110.70000
   48    44    45    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   46    43    44    50.00000  121.90000
   46    52    53    35.00000  119.70000
   46    52    54    70.00000  118.70000
   52    46    47    80.00000  125.30000
   52    54    55    70.00000  124.00000
   52    54    58    80.00000  120.01400
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    59    70.00000  112.02700
   54    58    62    90.00000  111.18400
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    66    70.00000  110.72300
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    66    67    38.00000  118.40000
   59    66    68    50.00000  121.90000
   61    59    60    33.00000  107.80000
   66    59    60    35.00000  109.50000
   66    59    61    35.00000  109.50000
   66    68    69    80.00000  122.90000
   66    68    70    70.00000  116.60000
   68    66    67    35.00000  119.80000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    63.00000  111.10000
   70    68    69    80.00000  120.40000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    70.00000  112.02700
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    35.00000  117.00000
   73    76    78    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    78    79    35.00000  120.00000
   76    78    80    70.00000  124.00000
   78    76    77    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
   58    54    55    85.00000  112.85300
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.56750  1.0 1.0
   29    33    44    43  -0.07550 -1.0 2.0
   29    33    44    43   0.20000  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    48   0.44750  1.0 1.0
   29    33    44    48  -0.17800 -1.0 2.0
   29    33    44    48   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   1.39750  1.0 1.0
   33    38   -41    43  -0.07950 -1.0 2.0
   33    38   -41    43  -0.18750  1.0 3.0
   33    44    48    49   0.15000  1.0 3.0
   33    44    48    50   0.15000  1.0 3.0
   33    44    48    51   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    44    43   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    48   0.15000  1.0 3.0
   38    33   -44    43   0.43900  1.0 1.0
   38    33   -44    43   0.49100 -1.0 2.0
   38    33   -44    43   0.28400  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    48   0.56750  1.0 1.0
   38    33    44    48  -0.07550 -1.0 2.0
   38    33    44    48   0.20000  1.0 3.0
   38    41   -43    44   1.49850  1.0 1.0
   38    41   -43    44   1.53950 -1.0 2.0
   38    41    43    46   2.45000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.43950  1.0 1.0
   41    43   -44    33  -0.08100 -1.0 2.0
   41    43   -44    33   0.03350  1.0 3.0
   41    43    44    45   0.00000  1.0 1.0
   41    43    44    48  -0.43950  1.0 1.0
   41    43    44    48  -0.08100 -1.0 2.0
   41    43    44    48   0.03350  1.0 3.0
   41    43    46    47   2.22250 -1.0 2.0
   41    43    46    52   2.45000 -1.0 2.0
   42    41    43    44   3.04450 -1.0 2.0
   42    41    43    46   2.22250 -1.0 2.0
   43    44    48    49   0.15000  1.0 3.0
   43    44    48    50   0.15000  1.0 3.0
   43    44    48    51   0.15000  1.0 3.0
   43    46    52    53   0.65100 -1.0 2.0
   43    46    52    54   0.49500  1.0 1.0
   43    46    52    54   1.31600 -1.0 2.0
   43    46    52    54  -0.02300  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    43    46    47   3.04450 -1.0 2.0
   44    43    46    52   1.49850  1.0 1.0
   44    43    46    52   1.53950 -1.0 2.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   46    43    44    33  -0.43950  1.0 1.0
   46    43    44    33  -0.08100 -1.0 2.0
   46    43    44    33   0.03350  1.0 3.0
   46    43    44    45   0.00000  1.0 1.0
   46    43    44    48  -0.43950  1.0 1.0
   46    43    44    48  -0.08100 -1.0 2.0
   46    43    44    48   0.03350  1.0 3.0
   46    52    54    55   7.00000 -1.0 2.0
   46    52    54    58   7.00000 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    54   1.00000 -1.0 2.0
   52    54    55    56   0.00000  1.0 1.0
   52    54    55    57   0.00000  1.0 1.0
   52    54    55    59   0.09850  1.0 1.0
   52    54    55    59   0.15250 -1.0 2.0
   52    54    55    59  -0.50650  1.0 3.0
   52    54    58    62  -2.26850  1.0 1.0
   52    54    58    62   3.39050 -1.0 2.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    58   7.00000 -1.0 2.0
   54    55    59    60   0.15000  1.0 3.0
   54    55    59    61   0.15000  1.0 3.0
   54    55    59    66   0.21700  1.0 1.0
   54    55    59    66   0.68550 -1.0 2.0
   54    55    59    66  -0.27950  1.0 3.0
   54    58    62    63   0.08050  1.0 3.0
   54    58    62    64   0.08050  1.0 3.0
   54    58    62    65   0.08050  1.0 3.0
   55    54    58    62   2.00000 -1.0 2.0
   55    59    66    67   0.00000  1.0 1.0
   55    59    66    68  -0.43950  1.0 1.0
   55    59    66    68  -0.08100 -1.0 2.0
   55    59    66    68   0.03350  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    66   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    66   0.15000  1.0 3.0
   59    66    68    69   3.04450 -1.0 2.0
   59    66    68    70   1.49850  1.0 1.0
   59    66    68    70   1.53950 -1.0 2.0
   60    59    66    67   0.00000  1.0 1.0
   60    59    66    68   0.00000  1.0 1.0
   61    59    66    67   0.00000  1.0 1.0
   61    59    66    68   0.00000  1.0 1.0
   66    68    70    71   0.00000  1.0 1.0
   66    68    70    72   0.00000  1.0 1.0
   66    68    70    73   1.39750  1.0 1.0
   66    68    70    73  -0.07950 -1.0 2.0
   66    68    70    73  -0.18750  1.0 3.0
   67    66    68    69   2.45000 -1.0 2.0
   67    66    68    70   2.45000 -1.0 2.0
   68    70    73    74  -0.11250  1.0 3.0
   68    70    73    75  -0.11250  1.0 3.0
   68    70    73    76  -0.98800  1.0 1.0
   68    70    73    76   0.48800 -1.0 2.0
   68    70    73    76   0.76800  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    70    73   0.30150 -1.0 2.0
   70    73    76    77   0.00000  1.0 1.0
   70    73    76    78   0.09850  1.0 1.0
   70    73    76    78   0.15250 -1.0 2.0
   70    73    76    78  -0.50650  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    78    79   7.00000 -1.0 2.0
   73    76    78    80   7.00000 -1.0 2.0
   74    73    76    77   0.33100  1.0 3.0
   74    73    76    78   0.00000  1.0 1.0
   75    73    76    77   0.33100  1.0 3.0
   75    73    76    78   0.00000  1.0 1.0
   76    78    80    81   0.00000  1.0 1.0
   76    78    80    82   0.09850  1.0 1.0
   76    78    80    82   0.15250 -1.0 2.0
   76    78    80    82  -0.50650  1.0 3.0
   76    78    80    86   0.09850  1.0 1.0
   76    78    80    86   0.15250 -1.0 2.0
   76    78    80    86  -0.50650  1.0 3.0
   77    76    78    79   7.00000 -1.0 2.0
   77    76    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
   58    54    55    56   0.00000  1.0 1.0
   58    54    55    57   0.00000  1.0 1.0
   58    54    55    59   0.09700  1.0 1.0
   58    54    55    59   0.15600 -1.0 2.0
   58    54    55    59  -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
   38    43    41    42  10.50000 -1.0 2.0
   44    41    43    46   1.00000 -1.0 2.0
   43    52    46    47  10.50000 -1.0 2.0
   46    53    52    54  15.00000 -1.0 2.0
   55    58    54    52  15.00000 -1.0 2.0
   67    68    66    59   1.00000 -1.0 2.0
   66    70    68    69  10.50000 -1.0 2.0
   73    77    76    78  15.00000 -1.0 2.0
   80    79    78    76  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
