* LIGAND DATABASE FILE (OPLS2005)
*
001     102   105    193    310     579
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02137    91.72654   -66.29739
    3     1 S   H    _H1_     3     1.02059    88.81127    42.39523
    4     1 S   H    _H2_     4     1.02134    32.92001   170.81498
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C21    36     1.85792    97.75919  -178.13565
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C8_    37     1.50113   107.64965   -60.01684
   38    33 S   CT   _C19    60     1.55587   109.88253   166.98352
   39    38 S   HC   _H49    61     1.07893   108.73931    50.21555
   40    37 S   CMA  _C9_    38     1.35130   111.72452   103.82435
   41    40 S   OM   _O27    39     1.26397   128.54129  -177.27617
   42    37 S   CT   _C16    43     1.51182   122.83145   -74.08635
   43    42 S   HC   _H45    44     1.08285   109.93503    51.67358
   44    42 S   HC   _H46    45     1.08870   108.38846   164.91069
   45    38 S   OH   _O37    62     1.43607   109.15870   -62.21015
   46    45 S   HO   _H66    63     0.96910   106.30917   -73.93704
   47    40 S   OS   _O34    40     1.42453   109.51302     3.68870
   48    42 S   CT   _C18    46     1.54672   117.14971   -74.30823
   49    48 S   HC   _H48    47     1.05961   107.28674    67.53131
   50    33 S   CO4  _C13    41     1.51540   105.28350    44.93757
   51    50 S   O    _O33    42     1.22401   125.76614    72.66317
   52    48 S   CT   _C15    48     1.55051   115.20284   -54.11666
   53    52 S   HC   _H43    49     1.11334   109.92304   -66.75037
   54    52 S   HC   _H44    50     1.12021   107.96154  -176.04755
   55    48 S   CT   _C29    87     1.53801   108.68309  -176.45757
   56    55 S   HC   _H65    88     1.09139   108.98256   166.11910
   57    52 S   CM   _C6_    51     1.50034   118.87003    61.12903
   58    55 S   CT   _C20    89     1.52215   111.56742   -72.25511
   59    58 S   HC   _H50    90     1.09736   108.50694    61.21221
   60    55 S   OH   _O39   101     1.42096   108.81612    48.80923
   61    60 S   HO   _H68   102     0.97161   106.75356   179.97202
   62    57 S   CM   _C7_    52     1.33758   131.96534    33.43676
   63    58 S   CT   _C14    91     1.52320   111.45333   -61.03682
   64    63 S   HC   _H41    92     1.09496   109.81836    68.90292
   65    63 S   HC   _H42    93     1.09643   111.55660   -50.67924
   66    62 S   CO4  _C12    53     1.46810   107.54753  -174.88029
   67    66 S   O    _O30    54     1.21654   127.13093   177.48402
   68    62 S   CT   _C17    58     1.49880   128.14273     6.30612
   69    68 S   HC   _H47    59     1.13098   104.39053    22.94240
   70    63 S   CM   _C5_    94     1.49077   108.87509  -170.41155
   71    70 S   HC   _H40    95     1.08463   118.51085  -153.56716
   72    66 S   OS   _O35    55     1.35501   107.32754    -1.81056
   73    68 S   CT   _C28    64     1.54025   112.12014   136.15773
   74    73 S   HC   _H64    65     1.09065   108.86105    80.00197
   75    70 S   CM   _C4_    96     1.33636   121.74812    26.52184
   76    75 S   HC   _H39    97     1.08395   121.23650   179.21815
   77    57 S   CO4  _C11    56     1.46844   120.47545  -142.97766
   78    77 S   O    _O29    57     1.21723   126.64856    -3.92071
   79    73 S   CT   _C27    66     1.52635   110.66730  -158.22713
   80    79 S   HC   _H62    67     1.09818   109.80078    79.99276
   81    79 S   HC   _H63    68     1.09646   109.84211   -38.07861
   82    73 S   OH   _O38    85     1.41963   108.26737   -37.94493
   83    82 S   HO   _H67    86     0.97139   106.86029  -179.98022
   84    75 S   CO4  _C10    98     1.47545   120.57377     3.97867
   85    84 S   O    _O28    99     1.22598   120.80323   167.80691
   86    79 S   CT   _C26    69     1.53387   111.60294  -159.61262
   87    86 S   HC   _H60    70     1.09469   109.42021   -59.57791
   88    86 S   HC   _H61    71     1.09668   109.40963    57.70938
   89    58 S   OS   _O36   100     1.44475   107.88646   177.45002
   90    86 S   CT   _C25    72     1.53080   111.15402   178.81634
   91    90 S   HC   _H58    73     1.09670   109.72522    58.33210
   92    90 S   HC   _H59    74     1.09666   109.02919   -58.23195
   93    90 S   CT   _C24    75     1.53105   113.37676  -178.72758
   94    93 S   HC   _H56    76     1.09717   109.58336   -60.00046
   95    93 S   HC   _H57    77     1.09731   108.13817    55.97507
   96    93 S   CT   _C23    78     1.52930   113.40250   177.00644
   97    96 S   HC   _H54    79     1.09652   109.88734   -55.96005
   98    96 S   HC   _H55    80     1.09520   110.41284    62.22930
   99    96 S   CT   _C22    81     1.52083   111.37399  -177.02428
  100    99 S   HC   _H51    82     1.09410   111.00265   -58.52624
  101    99 S   HC   _H52    83     1.09474   110.25751    61.21882
  102    99 S   HC   _H53    84     1.09517   110.98105  -179.09000
  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  16  17   7   8   3  14   5   4   6   1   2  15
   8   2   1  13   5   4  12   6   9  12   7   3   1  11   8   5
   4   7   3  11   4   6   3   2  10   6   4   3   1   1  11   6
   5   2   1   2   1   9   5   4   1   9   5   4   9   5   4   6
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    50    51    42    68    38    39    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    50    51    42    43    44    48    62    68    69    38    39    45    46    73  
   35    36  
   36  
    0  
   40    41    47    50    51    42    43    44    48    49    52    68    38    39    45    55  
   39    45    46    73    74    79    82    40    42    47    50    51    57    62    66    68    69  
   45    46    73    50    62    68    69  
   41    47    50    51    42    43    44    48  
   47    50    42  
   43    44    48    49    52    53    54    57    55    56    58    60    47    50  
   44    48    49    52    55  
   48    49    52    55  
   46    73    50    62    68    69  
   68  
   50    51  
   49    52    53    54    57    62    77    55    56    58    59    63    89    60    61  
   52    53    54    57    55    56    58    60  
   51    68  
    0  
   53    54    57    62    66    72    77    78    68    55    56    58    60  
   54    57    62    77    55  
   57    62    77    55  
   56    58    59    63    64    65    70    84    89    60    61    57  
   58    59    63    89    60    61  
   62    66    67    72    77    78    68    69    73  
   59    63    64    65    70    71    75    84    85    89    60    61  
   63    64    65    70    84    89    60  
   61    63    89  
    0  
   66    67    72    77    78    68    69    73    74    79    82  
   64    65    70    71    75    76    84    89  
   65    70    71    75    89  
   70    71    75    89  
   67    72    77    78    68    69    73  
   72    77    68  
   69    73    74    79    80    81    86    82    83    72    77  
   73    74    79    82  
   71    75    76    84    85    89  
   75    76    84  
   77    78  
   74    79    80    81    86    87    88    90    82    83  
   79    80    81    86    82    83  
   76    84    85    89  
   84    85    89  
   78  
    0  
   80    81    86    87    88    90    91    92    93    82    83  
   81    86    87    88    90    82  
   86    87    88    90    82  
   83    86  
    0  
   85    89  
   89  
   87    88    90    91    92    93    94    95    96  
   88    90    91    92    93  
   90    91    92    93  
    0  
   91    92    93    94    95    96    97    98    99  
   92    93    94    95    96  
   93    94    95    96  
   94    95    96    97    98    99   100   101   102  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99   100   101   102  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   2.8500   0.1400  -0.565000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.160000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   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   317.000  1.510
   33    50   317.000  1.522
   33    38   268.000  1.529
   37    40   465.000  1.376
   37    42   317.000  1.510
   40    41   745.000  1.250
   40    47   440.000  1.360
   47    50   214.000  1.327
   50    51   570.000  1.229
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   268.000  1.529
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   317.000  1.510
   57    62   549.000  1.340
   57    77   320.000  1.462
   62    66   320.000  1.462
   62    68   317.000  1.510
   66    67   570.000  1.229
   66    72   214.000  1.327
   72    77   214.000  1.327
   77    78   570.000  1.229
   68    69   340.000  1.090
   68    38   268.000  1.529
   68    73   268.000  1.529
   38    39   340.000  1.090
   38    45   320.000  1.410
   45    46   553.000  0.945
   73    74   340.000  1.090
   73    79   268.000  1.529
   73    82   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   268.000  1.529
   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   340.000  1.090
   82    83   553.000  0.945
   55    56   340.000  1.090
   55    58   268.000  1.529
   55    60   320.000  1.410
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    89   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   317.000  1.510
   70    71   340.000  1.080
   70    75   549.000  1.340
   75    76   340.000  1.080
   75    84   320.000  1.462
   84    85   570.000  1.229
   84    89   214.000  1.327
   60    61   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    50    47    81.00000  111.40000
   33    50    51    80.00000  120.40000
   33    38    68    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    45    50.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    47    80.00000  120.01400
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    48    70.00000  112.02700
   40    47    50    90.00000  114.22900
   47    40    41    65.00000  121.00000
   47    50    51    83.00000  123.40000
   50    33    37    70.00000  109.06800
   42    37    40    70.00000  124.00000
   42    48    49    37.50000  110.70000
   42    48    52    58.35000  112.70000
   42    48    55    58.35000  112.70000
   44    42    43    33.00000  107.80000
   48    42    43    37.50000  110.70000
   48    42    44    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    57    70.00000  112.02700
   48    55    56    37.50000  110.70000
   48    55    58    58.35000  112.70000
   48    55    60    50.00000  109.50000
   52    48    49    37.50000  110.70000
   52    57    62    70.00000  124.00000
   52    57    77    65.00000  116.34900
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   57    62    66    65.00000  118.96000
   57    62    68    70.00000  124.00000
   57    77    72    90.00000  111.29400
   57    77    78    80.00000  123.72100
   62    66    67    80.00000  123.72100
   62    66    72    90.00000  111.29400
   62    68    69    35.00000  109.50000
   62    68    38    70.00000  112.02700
   62    68    73    70.00000  112.02700
   66    72    77   105.00000  110.06700
   72    66    67    83.00000  123.40000
   72    77    78    83.00000  123.40000
   77    57    62    65.00000  118.96000
   68    62    66    65.00000  116.34900
   68    38    39    37.50000  110.70000
   68    38    45    50.00000  109.50000
   68    73    74    37.50000  110.70000
   68    73    79    58.35000  112.70000
   68    73    82    50.00000  109.50000
   38    33    37    70.00000  112.02700
   38    33    50    63.00000  111.10000
   38    68    69    37.50000  110.70000
   38    45    46    55.00000  108.50000
   45    38    39    35.00000  109.50000
   73    68    69    37.50000  110.70000
   73    68    38    58.35000  112.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    86    58.35000  112.70000
   73    82    83    55.00000  108.50000
   79    73    74    37.50000  110.70000
   79    86    87    37.50000  110.70000
   79    86    88    37.50000  110.70000
   79    86    90    58.35000  112.70000
   81    79    80    33.00000  107.80000
   86    79    80    37.50000  110.70000
   86    79    81    37.50000  110.70000
   86    90    91    37.50000  110.70000
   86    90    92    37.50000  110.70000
   86    90    93    58.35000  112.70000
   88    86    87    33.00000  107.80000
   90    86    87    37.50000  110.70000
   90    86    88    37.50000  110.70000
   90    93    94    37.50000  110.70000
   90    93    95    37.50000  110.70000
   90    93    96    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   93    96    97    37.50000  110.70000
   93    96    98    37.50000  110.70000
   93    96    99    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    37.50000  110.70000
   96    99   100    37.50000  110.70000
   96    99   101    37.50000  110.70000
   96    99   102    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   82    73    74    35.00000  109.50000
   82    73    79    50.00000  109.50000
   55    48    49    37.50000  110.70000
   55    48    52    58.35000  112.70000
   55    58    59    37.50000  110.70000
   55    58    63    58.35000  112.70000
   55    58    89    50.00000  109.50000
   55    60    61    55.00000  108.50000
   58    55    56    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    70    70.00000  112.02700
   58    89    84    83.00000  116.90000
   63    58    59    37.50000  110.70000
   63    70    71    35.00000  117.00000
   63    70    75    70.00000  124.00000
   65    63    64    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    65    35.00000  109.50000
   70    75    76    35.00000  120.00000
   70    75    84    65.00000  118.96000
   75    70    71    35.00000  120.00000
   75    84    85    80.00000  123.72100
   75    84    89    90.00000  111.29400
   84    75    76    40.00000  117.72500
   89    58    59    35.00000  109.50000
   89    58    63    50.00000  109.50000
   89    84    85    83.00000  123.40000
   60    55    56    35.00000  109.50000
   60    55    58    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    50    47   0.40000  1.0 3.0
   29    33    50    51   0.30150 -1.0 2.0
   29    33    38    68   0.44750  1.0 1.0
   29    33    38    68  -0.17800 -1.0 2.0
   29    33    38    68   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    47   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    48   0.46850  1.0 1.0
   33    37    42    48   0.08550 -1.0 2.0
   33    37    42    48   0.09800  1.0 3.0
   33    38    45    46  -0.11600  1.0 1.0
   33    38    45    46  -0.09450 -1.0 2.0
   33    38    45    46   0.21250  1.0 3.0
   37    33   -50    47   0.40000  1.0 3.0
   37    33    50    51   0.30150 -1.0 2.0
   37    33    38    68   0.34400  1.0 1.0
   37    33    38    68   0.09450 -1.0 2.0
   37    33    38    68   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    45   1.05650  1.0 1.0
   37    33    38    45   0.15600 -1.0 2.0
   37    33    38    45   0.53150  1.0 3.0
   37    40   -47    50  -1.93650  1.0 1.0
   37    40   -47    50   2.17750 -1.0 2.0
   37    40   -47    50  -0.40250  1.0 3.0
   37    42    48    49   0.15000  1.0 3.0
   37    42    48    52   0.34400  1.0 1.0
   37    42    48    52   0.09450 -1.0 2.0
   37    42    48    52   0.11100  1.0 3.0
   37    42    48    55   0.34400  1.0 1.0
   37    42    48    55   0.09450 -1.0 2.0
   37    42    48    55   0.11100  1.0 3.0
   40    37    42    43   0.00000  1.0 1.0
   40    37    42    44   0.00000  1.0 1.0
   40    37    42    48   0.09850  1.0 1.0
   40    37    42    48   0.15250 -1.0 2.0
   40    37    42    48  -0.50650  1.0 3.0
   40    47   -50    33   0.82650  1.0 1.0
   40    47   -50    33   1.69000 -1.0 2.0
   40    47    50    51   3.00000 -1.0 2.0
   41    40    47    50   2.00000 -1.0 2.0
   50    33   -37    40  -0.51250  1.0 1.0
   50    33   -37    40  -0.88800 -1.0 2.0
   50    33   -37    40   0.08850  1.0 3.0
   50    33    37    42   0.17250  1.0 1.0
   50    33    37    42  -0.04100 -1.0 2.0
   50    33    37    42  -0.33850  1.0 3.0
   50    33    38    68  -0.95700  1.0 1.0
   50    33    38    68  -0.18200 -1.0 2.0
   50    33    38    68   0.29450  1.0 3.0
   50    33    38    39  -0.11250  1.0 3.0
   50    33    38    45  -0.09450  1.0 1.0
   50    33    38    45  -1.12950 -1.0 2.0
   50    33    38    45   0.54000  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    47   7.00000 -1.0 2.0
   42    48    52    53   0.15000  1.0 3.0
   42    48    52    54   0.15000  1.0 3.0
   42    48    52    57   0.34400  1.0 1.0
   42    48    52    57   0.09450 -1.0 2.0
   42    48    52    57   0.11100  1.0 3.0
   42    48    55    56   0.15000  1.0 3.0
   42    48    55    58   0.56750  1.0 1.0
   42    48    55    58  -0.07550 -1.0 2.0
   42    48    55    58   0.20000  1.0 3.0
   42    48    55    60   0.86500  1.0 1.0
   42    48    55    60  -0.17500 -1.0 2.0
   42    48    55    60   0.20800  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    52   0.15000  1.0 3.0
   43    42    48    55   0.15000  1.0 3.0
   44    42    48    49   0.15000  1.0 3.0
   44    42    48    52   0.15000  1.0 3.0
   44    42    48    55   0.15000  1.0 3.0
   48    52    57    62   0.09850  1.0 1.0
   48    52    57    62   0.15250 -1.0 2.0
   48    52    57    62  -0.50650  1.0 3.0
   48    52    57    77   0.09700  1.0 1.0
   48    52    57    77   0.15600 -1.0 2.0
   48    52    57    77  -0.50800  1.0 3.0
   48    55    58    59   0.15000  1.0 3.0
   48    55    58    63   0.56750  1.0 1.0
   48    55    58    63  -0.07550 -1.0 2.0
   48    55    58    63   0.20000  1.0 3.0
   48    55    58    89   0.62750  1.0 1.0
   48    55    58    89  -0.30950 -1.0 2.0
   48    55    58    89   0.27300  1.0 3.0
   48    55    60    61  -0.11600  1.0 1.0
   48    55    60    61  -0.09450 -1.0 2.0
   48    55    60    61   0.21250  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    57   0.15000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    58   0.15000  1.0 3.0
   49    48    55    60   0.23400  1.0 3.0
   52    48    55    56   0.15000  1.0 3.0
   52    48    55    58   0.56750  1.0 1.0
   52    48    55    58  -0.07550 -1.0 2.0
   52    48    55    58   0.20000  1.0 3.0
   52    48    55    60   0.86500  1.0 1.0
   52    48    55    60  -0.17500 -1.0 2.0
   52    48    55    60   0.20800  1.0 3.0
   52    57    62    66   7.00000 -1.0 2.0
   52    57    62    68   7.00000 -1.0 2.0
   52    57    77    72  -0.15000  1.0 1.0
   52    57    77    72   0.89550 -1.0 2.0
   52    57    77    72  -0.06900  1.0 3.0
   52    57    77    78  -0.64400  1.0 1.0
   52    57    77    78   0.26850 -1.0 2.0
   53    52    57    62   0.00000  1.0 1.0
   53    52    57    77   0.15000  1.0 3.0
   54    52    57    62   0.00000  1.0 1.0
   54    52    57    77   0.15000  1.0 3.0
   57    62    66    67   1.00000 -1.0 2.0
   57    62   -66    72  -0.56150  1.0 1.0
   57    62   -66    72   2.19150 -1.0 2.0
   57    62    68    69   0.00000  1.0 1.0
   57    62    68    38   0.09850  1.0 1.0
   57    62    68    38   0.15250 -1.0 2.0
   57    62    68    38  -0.50650  1.0 3.0
   57    62    68    73   0.09850  1.0 1.0
   57    62    68    73   0.15250 -1.0 2.0
   57    62    68    73  -0.50650  1.0 3.0
   62    57   -77    72  -0.56150  1.0 1.0
   62    57   -77    72   2.19150 -1.0 2.0
   62    57    77    78   1.00000 -1.0 2.0
   62    66   -72    77   2.00000 -1.0 2.0
   62    68    38    33   0.34400  1.0 1.0
   62    68    38    33   0.09450 -1.0 2.0
   62    68    38    33   0.11100  1.0 3.0
   62    68    38    39   0.15000  1.0 3.0
   62    68    38    45   1.05650  1.0 1.0
   62    68    38    45   0.15600 -1.0 2.0
   62    68    38    45   0.53150  1.0 3.0
   62    68    73    74   0.15000  1.0 3.0
   62    68    73    79   0.34400  1.0 1.0
   62    68    73    79   0.09450 -1.0 2.0
   62    68    73    79   0.11100  1.0 3.0
   62    68    73    82   1.05650  1.0 1.0
   62    68    73    82   0.15600 -1.0 2.0
   62    68    73    82   0.53150  1.0 3.0
   66    62    68    69   0.15000  1.0 3.0
   66    62    68    38   0.09700  1.0 1.0
   66    62    68    38   0.15600 -1.0 2.0
   66    62    68    38  -0.50800  1.0 3.0
   66    62    68    73   0.09700  1.0 1.0
   66    62    68    73   0.15600 -1.0 2.0
   66    62    68    73  -0.50800  1.0 3.0
   66    72   -77    57   2.00000 -1.0 2.0
   66    72    77    78   3.00000 -1.0 2.0
   67    66    72    77   3.00000 -1.0 2.0
   77    57   -62    66   7.00000 -1.0 2.0
   77    57    62    68   7.00000 -1.0 2.0
   68    62    66    67  -0.64400  1.0 1.0
   68    62    66    67   0.26850 -1.0 2.0
   68    62    66    72  -0.15000  1.0 1.0
   68    62    66    72   0.89550 -1.0 2.0
   68    62    66    72  -0.06900  1.0 3.0
   68    38    45    46  -0.11600  1.0 1.0
   68    38    45    46  -0.09450 -1.0 2.0
   68    38    45    46   0.21250  1.0 3.0
   68    73    79    80   0.15000  1.0 3.0
   68    73    79    81   0.15000  1.0 3.0
   68    73    79    86   0.56750  1.0 1.0
   68    73    79    86  -0.07550 -1.0 2.0
   68    73    79    86   0.20000  1.0 3.0
   68    73    82    83  -0.11600  1.0 1.0
   68    73    82    83  -0.09450 -1.0 2.0
   68    73    82    83   0.21250  1.0 3.0
   69    68    38    33   0.15000  1.0 3.0
   69    68    38    39   0.15000  1.0 3.0
   69    68    38    45   0.23400  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    79   0.15000  1.0 3.0
   69    68    73    82   0.23400  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    50    47   0.36750  1.0 3.0
   38    33    50    51   0.30150 -1.0 2.0
   38    68    73    74   0.15000  1.0 3.0
   38    68    73    79   0.56750  1.0 1.0
   38    68    73    79  -0.07550 -1.0 2.0
   38    68    73    79   0.20000  1.0 3.0
   38    68    73    82   0.86500  1.0 1.0
   38    68    73    82  -0.17500 -1.0 2.0
   38    68    73    82   0.20800  1.0 3.0
   39    38    45    46   0.19450  1.0 3.0
   73    68    38    33   0.56750  1.0 1.0
   73    68    38    33  -0.07550 -1.0 2.0
   73    68    38    33   0.20000  1.0 3.0
   73    68    38    39   0.15000  1.0 3.0
   73    68    38    45   0.86500  1.0 1.0
   73    68    38    45  -0.17500 -1.0 2.0
   73    68    38    45   0.20800  1.0 3.0
   73    79    86    87   0.15000  1.0 3.0
   73    79    86    88   0.15000  1.0 3.0
   73    79    86    90   0.56750  1.0 1.0
   73    79    86    90  -0.07550 -1.0 2.0
   73    79    86    90   0.20000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    86   0.15000  1.0 3.0
   74    73    82    83   0.19450  1.0 3.0
   79    73    82    83  -0.11600  1.0 1.0
   79    73    82    83  -0.09450 -1.0 2.0
   79    73    82    83   0.21250  1.0 3.0
   79    86    90    91   0.15000  1.0 3.0
   79    86    90    92   0.15000  1.0 3.0
   79    86    90    93   0.56750  1.0 1.0
   79    86    90    93  -0.07550 -1.0 2.0
   79    86    90    93   0.20000  1.0 3.0
   80    79    86    87   0.15000  1.0 3.0
   80    79    86    88   0.15000  1.0 3.0
   80    79    86    90   0.15000  1.0 3.0
   81    79    86    87   0.15000  1.0 3.0
   81    79    86    88   0.15000  1.0 3.0
   81    79    86    90   0.15000  1.0 3.0
   86    90    93    94   0.15000  1.0 3.0
   86    90    93    95   0.15000  1.0 3.0
   86    90    93    96   0.56750  1.0 1.0
   86    90    93    96  -0.07550 -1.0 2.0
   86    90    93    96   0.20000  1.0 3.0
   87    86    90    91   0.15000  1.0 3.0
   87    86    90    92   0.15000  1.0 3.0
   87    86    90    93   0.15000  1.0 3.0
   88    86    90    91   0.15000  1.0 3.0
   88    86    90    92   0.15000  1.0 3.0
   88    86    90    93   0.15000  1.0 3.0
   90    93    96    97   0.15000  1.0 3.0
   90    93    96    98   0.15000  1.0 3.0
   90    93    96    99   0.56750  1.0 1.0
   90    93    96    99  -0.07550 -1.0 2.0
   90    93    96    99   0.20000  1.0 3.0
   91    90    93    94   0.15000  1.0 3.0
   91    90    93    95   0.15000  1.0 3.0
   91    90    93    96   0.15000  1.0 3.0
   92    90    93    94   0.15000  1.0 3.0
   92    90    93    95   0.15000  1.0 3.0
   92    90    93    96   0.15000  1.0 3.0
   93    96    99   100   0.15000  1.0 3.0
   93    96    99   101   0.15000  1.0 3.0
   93    96    99   102   0.15000  1.0 3.0
   94    93    96    97   0.15000  1.0 3.0
   94    93    96    98   0.15000  1.0 3.0
   94    93    96    99   0.15000  1.0 3.0
   95    93    96    97   0.15000  1.0 3.0
   95    93    96    98   0.15000  1.0 3.0
   95    93    96    99   0.15000  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
   82    73    79    80   0.23400  1.0 3.0
   82    73    79    81   0.23400  1.0 3.0
   82    73    79    86   0.86500  1.0 1.0
   82    73    79    86  -0.17500 -1.0 2.0
   82    73    79    86   0.20800  1.0 3.0
   55    48    52    53   0.15000  1.0 3.0
   55    48    52    54   0.15000  1.0 3.0
   55    48    52    57   0.34400  1.0 1.0
   55    48    52    57   0.09450 -1.0 2.0
   55    48    52    57   0.11100  1.0 3.0
   55    58    63    64   0.15000  1.0 3.0
   55    58    63    65   0.15000  1.0 3.0
   55    58    63    70   0.34400  1.0 1.0
   55    58    63    70   0.09450 -1.0 2.0
   55    58    63    70   0.11100  1.0 3.0
   55    58    89    84  -0.25900  1.0 1.0
   55    58    89    84  -0.47000 -1.0 2.0
   55    58    89    84   0.11750  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    63   0.15000  1.0 3.0
   56    55    58    89   0.23400  1.0 3.0
   56    55    60    61   0.19450  1.0 3.0
   58    55    60    61  -0.11600  1.0 1.0
   58    55    60    61  -0.09450 -1.0 2.0
   58    55    60    61   0.21250  1.0 3.0
   58    63    70    71   0.00000  1.0 1.0
   58    63    70    75   0.09850  1.0 1.0
   58    63    70    75   0.15250 -1.0 2.0
   58    63    70    75  -0.50650  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    70   0.15000  1.0 3.0
   59    58    89    84   0.08050  1.0 3.0
   63    58    89    84  -0.25900  1.0 1.0
   63    58    89    84  -0.47000 -1.0 2.0
   63    58    89    84   0.11750  1.0 3.0
   63    70    75    76   7.00000 -1.0 2.0
   63    70   -75    84   7.00000 -1.0 2.0
   64    63    70    71   0.33100  1.0 3.0
   64    63    70    75   0.00000  1.0 1.0
   65    63    70    71   0.33100  1.0 3.0
   65    63    70    75   0.00000  1.0 1.0
   70    75    84    85   1.00000 -1.0 2.0
   70    75    84    89  -0.56150  1.0 1.0
   70    75    84    89   2.19150 -1.0 2.0
   71    70    75    76   7.00000 -1.0 2.0
   71    70    75    84   7.00000 -1.0 2.0
   75    84   -89    58   2.00000 -1.0 2.0
   76    75    84    85   0.00000  1.0 1.0
   76    75    84    89   1.63100 -1.0 2.0
   85    84    89    58   3.00000 -1.0 2.0
   89    58    63    64   0.23400  1.0 3.0
   89    58    63    65   0.23400  1.0 3.0
   89    58   -63    70   0.61850  1.0 1.0
   89    58   -63    70  -0.22750 -1.0 2.0
   89    58   -63    70   0.15300  1.0 3.0
   60    55    58    59   0.23400  1.0 3.0
   60    55    58    63   0.86500  1.0 1.0
   60    55    58    63  -0.17500 -1.0 2.0
   60    55    58    63   0.20800  1.0 3.0
   60    55    58    89   3.69350  1.0 1.0
   60    55    58    89  -1.82950 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   41    47    40    37   1.10000 -1.0 2.0
   33    47    50    51  10.50000 -1.0 2.0
   52    77    57    62   1.10000 -1.0 2.0
   66    68    62    57   1.10000 -1.0 2.0
   62    72    66    67  10.50000 -1.0 2.0
   57    72    77    78  10.50000 -1.0 2.0
   63    71    70    75   1.10000 -1.0 2.0
   84    76    75    70   1.10000 -1.0 2.0
   75    89    84    85  10.50000 -1.0 2.0
END
