* LIGAND DATABASE FILE (OPLS2005)
*
001     108   110    197    300     575
    1     0 S   NP   _N1_     1    28.56319    94.77414   -22.07718
    2     1 S   H    _HN1     2     1.02959    86.70764    25.36799
    3     1 S   H    _H1_     3     1.02838    30.16285   158.47624
    4     1 S   H    _H2_     4     1.02780    94.38801   -82.77466
    5     1 S   CT   _CA1     5     1.50105   140.28020   143.88038
    6     5 S   HC   _HA1     6     1.09574   105.25010    66.95081
    7     5 S   CO3  _C1_     7     1.53799   112.39000   -53.30124
    8     7 S   O2Z  _O11     8     1.26360   115.01621   -44.29130
    9     7 S   O2Z  _O12     9     1.26240   114.92064   134.96469
   10     5 S   CT   _CB1    10     1.53103   107.44319  -175.12074
   11    10 S   HC   HB11    11     1.09823   109.37659   -50.82052
   12    10 S   HC   HB12    12     1.09820   110.39759    65.74070
   13    10 S   CT   _CG1    13     1.53006   112.64954  -171.92423
   14    13 S   HC   HG11    14     1.09599   110.42336   -62.90537
   15    13 S   HC   HG12    15     1.09648   110.00713    56.30738
   16    13 S   C    _CD1    16     1.51810   112.34100   176.69512
   17    16 S   O    _OE1    17     1.22711   123.26723    -3.34989
   18    16 S   N    _N2_    18     1.38629   111.59349   176.86175
   19    18 S   H    _HN2    19     1.01577   119.01244     1.72420
   20    18 S   CT1  _CA2    20     1.46211   123.43030  -179.30959
   21    20 S   HC   _HA2    21     1.09734   109.42935    -6.60931
   22    20 S   C    _C2_    22     1.53458   108.44031  -122.27370
   23    22 S   O    _O2_    23     1.23024   122.19427  -145.72149
   24    20 S   CT   _CB2    32     1.53353   111.38190   115.40295
   25    24 S   HC   HB21    33     1.09542   109.96375    55.89328
   26    24 S   HC   HB22    34     1.09533   110.32878   174.84406
   27    22 S   N    _N3_    24     1.38489   113.44085    41.60156
   28    27 S   H    _HN3    25     1.01517   118.92382    -0.79500
   29    24 S   S    _SG2    35     1.82597   111.71617   -65.53675
   30    27 S   CT   _CA3    26     1.45467   123.61115   175.24074
   31    30 S   HC   HA31    27     1.09510   109.46229    19.89896
   32    30 S   HC   HA32    28     1.09503   107.06785   136.92883
   33    29 S   CT   _C24    36     1.83512    99.02739   174.42775
   34    33 S   HC   _H5_    37     1.09472   110.18196    40.18696
   35    30 S   CO3  _C3_    29     1.52910   112.94713  -103.73563
   36    35 S   O2Z  _O31    30     1.26417   115.33443   -46.13919
   37    35 S   O2Z  _O32    31     1.26345   115.02666   134.75142
   38    33 S   CM   _C25    38     1.53064   110.22202   164.29512
   39    38 S   CMA  _C26    39     1.36492   123.44945   -75.44927
   40    39 S   OM   _O38    40     1.26817   126.41738   171.40774
   41    38 S   N    _N6_    82     1.40661   108.34072   102.62332
   42    39 S   OS   _O37    41     1.42327   110.08761    -5.43105
   43    41 S   CT   _C22    83     1.47029   109.77662    -6.25965
   44    43 S   HC   _H23    84     1.09538   108.50265   -93.07700
   45    43 S   HC   _H24    85     1.09433   111.66789   146.07677
   46    42 S   CT   _C27    42     1.44258   118.71038  -160.60333
   47    46 S   HC   _H6_    43     1.09748   112.22722   -15.47650
   48    33 S   CT   _C23    86     1.52697   110.83488   -82.61654
   49    48 S   HC   _H25    87     1.09853   108.97604   156.64312
   50    48 S   HC   _H26    88     1.09404   115.28502    36.13388
   51    46 S   CT   _C5_    44     1.55626   109.06717   104.17146
   52    51 S   HC   _H3_    45     1.09751   108.48947   178.57166
   53    46 S   CT   _C28    99     1.55580   106.60963  -132.07954
   54    53 S   HC   _H27   100     1.09720   109.19481   -55.73237
   55    51 S   CM   _C6_    46     1.51618   111.65118   -63.81868
   56    55 S   HC   _H10    47     1.08822   117.12700    95.56309
   57    51 S   CT   _C4_    95     1.53352   113.35981    59.81333
   58    57 S   HC   _H7_    96     1.09520   111.84847   -57.93905
   59    57 S   HC   _H8_    97     1.09628   110.84160  -178.05801
   60    57 S   HC   _H9_    98     1.09412   111.31197    62.97166
   61    53 S   CT   _C29   101     1.53624   110.70666    60.87092
   62    61 S   HC   _H28   102     1.09526   111.17266    59.80991
   63    61 S   HC   _H29   103     1.09452   111.42342   -60.95555
   64    61 S   HC   _H30   104     1.09545   110.75491   179.82983
   65    53 S   CT   _C30   105     1.53018   112.79087  -176.63210
   66    65 S   HC   _H31   106     1.09516   111.19374   -54.63455
   67    65 S   HC   _H32   107     1.09554   110.83861  -174.67641
   68    65 S   HC   _H33   108     1.09379   111.52583    66.38415
   69    55 S   CM   _C7_    48     1.34060   123.19960   -82.99127
   70    69 S   HC   _H11    49     1.08402   121.54289     1.29316
   71    69 S   C    _C8_    50     1.48500   119.85868  -179.35350
   72    71 S   O    _O33    51     1.22629   122.35874    29.21133
   73    71 S   N    _N4_    52     1.38289   111.86092  -150.89026
   74    73 S   H    _H12    53     1.01514   119.54860     3.56579
   75    73 S   CT   _C9_    54     1.45023   122.96028  -177.89095
   76    75 S   HC   _H13    55     1.09463   107.54546   159.32722
   77    75 S   HC   _H14    56     1.09502   109.24942    41.80620
   78    75 S   CM   _C10    57     1.49723   109.46631   -78.54731
   79    78 S   HC   _H15    58     1.08681   115.24564    72.72856
   80    78 S   CM   _C11    59     1.34338   124.18527  -107.67618
   81    80 S   HC   _H16    60     1.08904   117.69684     1.53187
   82    80 S   CM   _C12    61     1.46532   126.21072   179.97202
   83    82 S   CM   _C13    62     1.35068   118.66366  -171.17962
   84    83 S   HC   _H17    63     1.09066   118.16229    -0.24787
   85    82 S   CT   _C31    91     1.50808   117.11836     8.64806
   86    85 S   HC   _H35    92     1.09606   110.34298    57.20327
   87    85 S   HC   _H36    93     1.09499   110.79096   -63.02894
   88    85 S   HC   _H37    94     1.09106   113.95073   176.63879
   89    83 S   CT   _C14    64     1.50751   128.05861   177.36055
   90    89 S   HC   _H4_    65     1.08853   111.68631     8.94633
   91    89 S   CT   _C15    66     1.53207   110.82347  -115.34800
   92    91 S   HC   _H18    67     1.09527   112.26182    32.48516
   93    91 S   HC   _H19    68     1.09778   110.50219   -86.04195
   94    89 S   OH   _O39    89     1.42944   108.64519   124.80599
   95    94 S   HO   _H34    90     0.97245   108.30579    58.61063
   96    91 S   CO4  _C16    69     1.52415   112.57718   154.13808
   97    96 S   O    _O34    70     1.23437   120.10098   115.28927
   98    96 S   CT   _C17    71     1.51760   119.75536   -62.93777
   99    98 S   HC   _H20    72     1.09592   108.41952  -171.01246
  100    98 S   HC   _H21    73     1.09353   109.18766    72.45391
  101    98 S   CRA  _C18    74     1.47784   110.92787   -49.98623
  102   101 S   N5B  _N5_    75     1.31581   128.31877    76.96334
  103   102 S   C5B  _C19    76     1.37786   104.20773  -178.47517
  104   103 S   C5A  _C20    77     1.37739   108.98090    -0.61102
  105   104 S   HA   _H22    78     1.07991   135.39950   177.87588
  106   103 S   C    _C21    80     1.45535   121.61490   175.13788
  107   106 S   O    _O36    81     1.22923   118.78539   -26.00388
  108   101 S   OA   _O35    79     1.36664   117.17615  -102.41365
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  14  10   3  12  10   8   5   4  20   8   3
   1   1  14   8  11   8  10   4   4   2   1   1   7   3   2   1
   3   2   1   1   6   3   7   3   7   4   7   4   3   6   3   9
   3  10  13   5   4   2   1   1   9   6  10   5   4   2   1   7
   4   7   4   3   6   6   5   4   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    43    48    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42   106    41    43    44    45    48    49    50  
   38    39    41    43    48    49    50  
   36    37  
   37  
    0  
   39    40    42    46   103   106   107    41    43    44    45    48    49    50  
   40    42    46    47    51   106    41    43    48    53  
   42    46    41  
   43    44    45    48    49    50    42   102   103   104   106   107  
   46    47    51    52    55    57    53    54    61    65  
   44    45    48    49    50   103   106   107  
   45    48    49    50   106  
   48    49    50   106  
   47    51    52    55    56    69    57    58    59    60    53    54    61    62    63    64    65    66    67    68  
   51    52    55    57    53    54    61    65  
   49    50   106  
   50  
    0  
   52    55    56    69    70    71    57    58    59    60    53    54    61    65  
   55    56    69    57    58    59    60    53  
   54    61    62    63    64    65    66    67    68    55    57  
   61    62    63    64    65    66    67    68  
   56    69    70    71    72    73    57    58    59    60  
   69    70    71    57  
   58    59    60    69  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75    76    77    78    79    80  
   75    76    77    78  
   76    77    78    79    80    81    82  
   77    78    79    80  
   78    79    80  
   79    80    81    82    83    85  
   80    81    82  
   81    82    83    84    89    85    86    87    88  
   82    83    85  
   83    84    89    90    91    94    85    86    87    88  
   84    89    90    91    92    93    96    94    95    85    86    87    88  
   89    90    91    94    85  
   86    87    88    89  
   87    88  
   88  
    0  
   90    91    92    93    96    97    98    94    95  
   91    92    93    96    94    95  
   92    93    96    97    98    99   100   101    94    95  
   93    96    97    98    94  
   96    97    98    94  
   95    96  
    0  
   97    98    99   100   101   102   108  
   98    99   100   101  
   99   100   101   102   103   104   108  
  100   101   102   108  
  101   102   108  
  102   103   104   105   108   106  
  103   104   105   108   106   107  
  104   105   108   106   107  
  105   108   106   107  
  108   106  
  107   108  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.674400   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.2500   0.1700   0.003200   1.8100   1.6000   0.054801302  -1.445846770
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   74   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   75   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   98   3.5000   0.0660  -0.005000   2.4950   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   3.5500   0.0700   0.439000   2.5000   1.7750   0.001000000  -0.843144165
  102   3.2500   0.1700  -0.590000   1.8650   1.6500   0.001000000  -0.511443539
  103   3.5500   0.0700   0.145000   2.5000   1.7750   0.001000000  -0.843144165
  104   3.5500   0.0700  -0.148000   2.0020   1.7750   0.001000000  -0.843144165
  105   2.4200   0.0300   0.181000   1.3810   1.2100   0.030040813   0.268726247
  106   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  108   2.9000   0.1400  -0.257000   1.6450   1.4500   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   465.000  1.376
   38    41   400.000  1.384
   39    40   745.000  1.250
   39    42   440.000  1.360
   42    46   320.000  1.410
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    53   268.000  1.529
   51    52   340.000  1.090
   51    55   317.000  1.510
   51    57   268.000  1.529
   55    56   340.000  1.080
   55    69   549.000  1.340
   69    70   340.000  1.080
   69    71   410.000  1.444
   71    72   570.000  1.229
   71    73   490.000  1.335
   73    74   434.000  1.010
   73    75   337.000  1.449
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.510
   78    79   340.000  1.080
   78    80   549.000  1.340
   80    81   340.000  1.080
   80    82   380.000  1.444
   82    83   549.000  1.340
   82    85   317.000  1.510
   83    84   340.000  1.080
   83    89   317.000  1.510
   89    90   340.000  1.090
   89    91   268.000  1.529
   89    94   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    96   317.000  1.522
   96    97   570.000  1.229
   96    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   295.000  1.488
  101   102   488.000  1.335
  101   108   462.000  1.357
  102   103   410.000  1.394
  103   104   520.000  1.370
  103   106   310.000  1.477
  104   105   367.000  1.080
  104   108   340.000  1.360
  106   107   570.000  1.229
  106    41   490.000  1.335
   41    43   337.000  1.449
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   94    95   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   53    54   340.000  1.090
   53    61   268.000  1.529
   53    65   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  113.82800
   33    48    43    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    50    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    80.00000  120.01400
   38    41   106    70.00000  120.89900
   38    41    43    70.00000  119.94800
   39    42    46    90.00000  111.18400
   42    39    40    65.00000  121.00000
   42    46    47    35.00000  109.50000
   42    46    51    50.00000  109.50000
   42    46    53    50.00000  109.50000
   46    51    52    37.50000  110.70000
   46    51    55    70.00000  112.02700
   46    51    57    58.35000  112.70000
   46    53    54    37.50000  110.70000
   46    53    61    58.35000  112.70000
   46    53    65    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    55    56    35.00000  117.00000
   51    55    69    70.00000  124.00000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    37.50000  110.70000
   55    51    52    35.00000  109.50000
   55    69    70    35.00000  120.00000
   55    69    71    70.00000  118.70000
   69    55    56    35.00000  120.00000
   69    71    72    80.00000  125.30000
   69    71    73    80.00000  111.56200
   71    69    70    35.00000  119.70000
   71    73    74    35.00000  119.80000
   71    73    75    50.00000  121.90000
   73    71    72    80.00000  122.90000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    75.00000  110.78400
   75    73    74    38.00000  118.40000
   75    78    79    35.00000  117.00000
   75    78    80    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   78    80    81    35.00000  120.00000
   78    80    82    70.00000  123.01800
   80    78    79    35.00000  120.00000
   80    82    83    70.00000  123.01800
   80    82    85    70.00000  124.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  120.00000
   82    83    89    70.00000  124.00000
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    88    35.00000  109.50000
   83    89    90    35.00000  109.50000
   83    89    91    70.00000  112.02700
   83    89    94    90.00000  110.39200
   89    83    84    35.00000  117.00000
   89    91    92    37.50000  110.70000
   89    91    93    37.50000  110.70000
   89    91    96    63.00000  111.10000
   89    94    95    55.00000  108.50000
   91    89    90    37.50000  110.70000
   91    96    97    80.00000  120.40000
   91    96    98    70.00000  116.00000
   93    91    92    33.00000  107.80000
   96    91    92    35.00000  109.50000
   96    91    93    35.00000  109.50000
   96    98    99    35.00000  109.50000
   96    98   100    35.00000  109.50000
   96    98   101    75.00000  105.85400
   98    96    97    80.00000  120.40000
   98   101   102    65.00000  125.57700
   98   101   108    80.00000  117.62500
  100    98    99    33.00000  107.80000
  101    98    99    45.00000  109.19200
  101    98   100    45.00000  109.19200
  101   102   103    70.00000  110.00000
  101   108   104    70.00000  104.00000
  102   103   104    70.00000  111.00000
  102   103   106    65.00000  122.69000
  103   104   105    35.00000  130.70000
  103   104   108    70.00000  108.00000
  103   106   107    80.00000  122.33200
  103   106    41    75.00000  113.48100
  108   101   102    70.00000  115.00000
  108   104   105    35.00000  113.40000
  106   103   104    60.00000  124.35000
  106    41    43    50.00000  121.90000
   41    38    39    75.00000  120.83300
   41   106   107    80.00000  122.90000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    48    70.00000  110.72300
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   45    43    44    33.00000  107.80000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   50    48    49    33.00000  107.80000
   94    89    90    35.00000  109.50000
   94    89    91    50.00000  109.50000
   85    82    83    70.00000  124.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    55    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   53    46    47    37.50000  110.70000
   53    46    51    58.35000  112.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    64    37.50000  110.70000
   53    65    66    37.50000  110.70000
   53    65    67    37.50000  110.70000
   53    65    68    37.50000  110.70000
   61    53    54    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    53    54    37.50000  110.70000
   65    53    61    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    48    43   0.44750  1.0 1.0
   29    33    48    43  -0.17800 -1.0 2.0
   29    33    48    43   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    50   0.15000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41   106  -0.45200  1.0 1.0
   33    38    41   106   0.85900 -1.0 2.0
   33    38    41   106   0.16650  1.0 3.0
   33    38   -41    43   1.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41  -0.18050  1.0 3.0
   34    33    48    43   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    50   0.15000  1.0 3.0
   38    33   -48    43   0.34400  1.0 1.0
   38    33   -48    43   0.09450 -1.0 2.0
   38    33   -48    43   0.11100  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    50   0.15000  1.0 3.0
   38    39    42    46  -2.26850  1.0 1.0
   38    39    42    46   3.39050 -1.0 2.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41   -43    48  -0.05900 -1.0 2.0
   39    38    41   106  -0.18900  1.0 1.0
   39    38    41   106   1.70900 -1.0 2.0
   39    38    41    43  -0.88150  1.0 1.0
   39    38    41    43   2.95600 -1.0 2.0
   39    42    46    47   0.08050  1.0 3.0
   39    42    46    51  -0.46850  1.0 1.0
   39    42    46    51   0.09300 -1.0 2.0
   39    42    46    51  -0.12850  1.0 3.0
   39    42    46    53  -0.46850  1.0 1.0
   39    42    46    53   0.09300 -1.0 2.0
   39    42    46    53  -0.12850  1.0 3.0
   40    39    42    46   2.00000 -1.0 2.0
   42    46    51    52   0.23400  1.0 3.0
   42    46    51    55   0.61850  1.0 1.0
   42    46    51    55  -0.22750 -1.0 2.0
   42    46    51    55   0.15300  1.0 3.0
   42    46    51    57   0.62750  1.0 1.0
   42    46    51    57  -0.30950 -1.0 2.0
   42    46    51    57   0.27300  1.0 3.0
   42    46    53    54   0.23400  1.0 3.0
   42    46    53    61   0.62750  1.0 1.0
   42    46    53    61  -0.30950 -1.0 2.0
   42    46    53    61   0.27300  1.0 3.0
   42    46    53    65   0.62750  1.0 1.0
   42    46    53    65  -0.30950 -1.0 2.0
   42    46    53    65   0.27300  1.0 3.0
   46    51    55    56   0.00000  1.0 1.0
   46    51    55    69   0.09850  1.0 1.0
   46    51    55    69   0.15250 -1.0 2.0
   46    51    55    69  -0.50650  1.0 3.0
   46    51    57    58   0.15000  1.0 3.0
   46    51    57    59   0.15000  1.0 3.0
   46    51    57    60   0.15000  1.0 3.0
   46    53    61    62   0.15000  1.0 3.0
   46    53    61    63   0.15000  1.0 3.0
   46    53    61    64   0.15000  1.0 3.0
   46    53    65    66   0.15000  1.0 3.0
   46    53    65    67   0.15000  1.0 3.0
   46    53    65    68   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   47    46    51    57   0.15000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    61   0.15000  1.0 3.0
   47    46    53    65   0.15000  1.0 3.0
   51    46    53    54   0.15000  1.0 3.0
   51    46    53    61   0.56750  1.0 1.0
   51    46    53    61  -0.07550 -1.0 2.0
   51    46    53    61   0.20000  1.0 3.0
   51    46    53    65   0.56750  1.0 1.0
   51    46    53    65  -0.07550 -1.0 2.0
   51    46    53    65   0.20000  1.0 3.0
   51    55    69    70   7.00000 -1.0 2.0
   51    55    69    71   7.00000 -1.0 2.0
   52    51    55    56   0.33100  1.0 3.0
   52    51    55    69   0.00000  1.0 1.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   55    51    57    58   0.15000  1.0 3.0
   55    51    57    59   0.15000  1.0 3.0
   55    51    57    60   0.15000  1.0 3.0
   55    69    71    72   1.00000 -1.0 2.0
   55    69    71    73   0.49500  1.0 1.0
   55    69    71    73   1.31600 -1.0 2.0
   55    69    71    73  -0.02300  1.0 3.0
   56    55    69    70   7.00000 -1.0 2.0
   56    55    69    71   7.00000 -1.0 2.0
   69    71    73    74   2.56700 -1.0 2.0
   69    71    73    75   1.49850  1.0 1.0
   69    71    73    75   1.53950 -1.0 2.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   0.65100 -1.0 2.0
   71    73    75    76   0.00000  1.0 1.0
   71    73    75    77   0.00000  1.0 1.0
   71    73    75    78  -0.19250  1.0 1.0
   71    73    75    78  -0.00500 -1.0 2.0
   71    73    75    78   0.17000  1.0 3.0
   72    71    73    74   2.45000 -1.0 2.0
   72    71    73    75   3.04450 -1.0 2.0
   73    75    78    79   0.00000  1.0 1.0
   73    75    78    80   0.62150  1.0 1.0
   73    75    78    80   0.42850 -1.0 2.0
   73    75    78    80  -0.68200  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   75    78    80    81   7.00000 -1.0 2.0
   75    78    80    82   7.00000 -1.0 2.0
   76    75    78    79   0.33100  1.0 3.0
   76    75    78    80   0.00000  1.0 1.0
   77    75    78    79   0.33100  1.0 3.0
   77    75    78    80   0.00000  1.0 1.0
   78    80    82    83   0.28850  1.0 1.0
   78    80    82    83   2.61350 -1.0 2.0
   78    80    82    83   0.78400  1.0 3.0
   78    80    82    85  -0.18600  1.0 3.0
   79    78    80    81   7.00000 -1.0 2.0
   79    78    80    82   7.00000 -1.0 2.0
   80    82    83    84   7.00000 -1.0 2.0
   80    82    83    89   7.00000 -1.0 2.0
   80    82    85    86   0.00000  1.0 1.0
   80    82    85    87   0.00000  1.0 1.0
   80    82    85    88   0.00000  1.0 1.0
   81    80    82    83  -0.18600  1.0 3.0
   81    80    82    85   0.00000  1.0 1.0
   82    83    89    90   0.00000  1.0 1.0
   82    83    89    91   0.09850  1.0 1.0
   82    83    89    91   0.15250 -1.0 2.0
   82    83    89    91  -0.50650  1.0 3.0
   82    83    89    94   0.67800  1.0 1.0
   82    83    89    94   0.47050 -1.0 2.0
   82    83    89    94  -0.62500  1.0 3.0
   83    82    85    86   0.00000  1.0 1.0
   83    82    85    87   0.00000  1.0 1.0
   83    82    85    88   0.00000  1.0 1.0
   83    89    91    92   0.15000  1.0 3.0
   83    89    91    93   0.15000  1.0 3.0
   83    89    91    96  -0.98800  1.0 1.0
   83    89    91    96   0.48800 -1.0 2.0
   83    89    91    96   0.76800  1.0 3.0
   83    89    94    95  -0.07800  1.0 1.0
   83    89    94    95  -0.21500 -1.0 2.0
   83    89    94    95  -0.03150  1.0 3.0
   84    83    89    90   0.33100  1.0 3.0
   84    83    89    91   0.00000  1.0 1.0
   84    83    89    94   0.00000  1.0 1.0
   89    91    96    97   0.30150 -1.0 2.0
   89    91    96    98   0.60050  1.0 1.0
   89    91    96    98   0.05600 -1.0 2.0
   89    91    96    98   0.26150  1.0 3.0
   90    89    91    92   0.15000  1.0 3.0
   90    89    91    93   0.15000  1.0 3.0
   90    89    91    96  -0.11250  1.0 3.0
   90    89    94    95   0.19450  1.0 3.0
   91    89    94    95  -0.11600  1.0 1.0
   91    89    94    95  -0.09450 -1.0 2.0
   91    89    94    95   0.21250  1.0 3.0
   91    96    98    99   0.00000  1.0 1.0
   91    96    98   100   0.00000  1.0 1.0
   91    96    98   101   0.65300  1.0 1.0
   91    96    98   101  -0.03850 -1.0 2.0
   91    96    98   101   0.33900  1.0 3.0
   92    91    96    97   0.00000  1.0 1.0
   92    91    96    98   0.00000  1.0 1.0
   93    91    96    97   0.00000  1.0 1.0
   93    91    96    98   0.00000  1.0 1.0
   96    98   101   102   0.04300 -1.0 2.0
   96    98   101   108   0.04300 -1.0 2.0
   97    96    98    99   0.00000  1.0 1.0
   97    96    98   100   0.00000  1.0 1.0
   97    96    98   101   0.30150 -1.0 2.0
   98   101   102   103   3.62500 -1.0 2.0
   98   101   108   104   3.62500 -1.0 2.0
   99    98   101   102   0.00000  1.0 1.0
   99    98   101   108   0.00000  1.0 1.0
  100    98   101   102   0.00000  1.0 1.0
  100    98   101   108   0.00000  1.0 1.0
  101   102  -103   104   2.40000 -1.0 2.0
  101   102   103   106   3.62500 -1.0 2.0
  102   101  -108   104   3.62500 -1.0 2.0
  102   103   104   105   3.62500 -1.0 2.0
  102   103  -104   108   3.62500 -1.0 2.0
  102   103   106   107   1.05000 -1.0 2.0
  102   103   106    41   1.61600  1.0 1.0
  102   103   106    41  -0.04750 -1.0 2.0
  102   103   106    41   0.11700  1.0 3.0
  103   104  -108   101   3.62500 -1.0 2.0
  103   106    41    38   2.45000 -1.0 2.0
  103   106    41    43   1.49850  1.0 1.0
  103   106    41    43   1.53950 -1.0 2.0
  104   103   106   107   1.05000 -1.0 2.0
  104   103   106    41   0.75700  1.0 1.0
  104   103   106    41   0.34650 -1.0 2.0
  104   103   106    41   0.33000  1.0 3.0
  104   103   106    41  -0.28100 -1.0 4.0
  105   104   108   101   3.62500 -1.0 2.0
  108   101  -102   103   3.62500 -1.0 2.0
  106   103   104   105   3.62500 -1.0 2.0
  106   103   104   108   3.62500 -1.0 2.0
  106    41    43    44   0.00000  1.0 1.0
  106    41    43    45   0.00000  1.0 1.0
  106    41    43    48  -0.43950  1.0 1.0
  106    41    43    48  -0.08100 -1.0 2.0
  106    41    43    48   0.03350  1.0 3.0
  107   106    41    38   2.67200 -1.0 2.0
  107   106    41    43   3.04450 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
   41    43   -48    33   0.43900  1.0 1.0
   41    43   -48    33   0.49100 -1.0 2.0
   41    43   -48    33   0.28400  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50   0.15000  1.0 3.0
   44    43    48    33   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   45    43    48    33   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   48    33    38    39   0.09850  1.0 1.0
   48    33    38    39   0.15250 -1.0 2.0
   48    33    38    39  -0.50650  1.0 3.0
   48    33   -38    41  -0.93550  1.0 1.0
   48    33   -38    41   0.38900 -1.0 2.0
   48    33   -38    41   0.16950  1.0 3.0
   94    89    91    92   0.23400  1.0 3.0
   94    89    91    93   0.23400  1.0 3.0
   94    89    91    96  -0.09450  1.0 1.0
   94    89    91    96  -1.12950 -1.0 2.0
   94    89    91    96   0.54000  1.0 3.0
   85    82    83    84   7.00000 -1.0 2.0
   85    82    83    89   7.00000 -1.0 2.0
   57    51    55    56   0.00000  1.0 1.0
   57    51    55    69   0.09850  1.0 1.0
   57    51    55    69   0.15250 -1.0 2.0
   57    51    55    69  -0.50650  1.0 3.0
   53    46    51    52   0.15000  1.0 3.0
   53    46    51    55   0.34400  1.0 1.0
   53    46    51    55   0.09450 -1.0 2.0
   53    46    51    55   0.11100  1.0 3.0
   53    46    51    57   0.56750  1.0 1.0
   53    46    51    57  -0.07550 -1.0 2.0
   53    46    51    57   0.20000  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    64   0.15000  1.0 3.0
   54    53    65    66   0.15000  1.0 3.0
   54    53    65    67   0.15000  1.0 3.0
   54    53    65    68   0.15000  1.0 3.0
   61    53    65    66   0.15000  1.0 3.0
   61    53    65    67   0.15000  1.0 3.0
   61    53    65    68   0.15000  1.0 3.0
   65    53    61    62   0.15000  1.0 3.0
   65    53    61    63   0.15000  1.0 3.0
   65    53    61    64   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   40    42    39    38   1.10000 -1.0 2.0
   51    56    55    69   1.10000 -1.0 2.0
   71    70    69    55   1.10000 -1.0 2.0
   69    73    71    72  10.50000 -1.0 2.0
   74    71    73    75   1.00000 -1.0 2.0
   75    79    78    80   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   80    85    82    83   1.10000 -1.0 2.0
   89    84    83    82   1.10000 -1.0 2.0
   91    98    96    97  10.50000 -1.0 2.0
  102   108   101    98   4.00000 -1.0 2.0
  104   106   103   102   4.00000 -1.0 2.0
  108   105   104   103   1.10000 -1.0 2.0
  103    41   106   107  10.50000 -1.0 2.0
   43   106    41    38   1.00000 -1.0 2.0
END
