* LIGAND DATABASE FILE (OPLS2005)
*
001     102   104    188    275     535
    1     0 S   NP   _N1_     1    28.60561    96.06409   -24.13498
    2     1 S   H    _HN1     2     1.02960    71.86442    27.08492
    3     1 S   H    _H1_     3     1.02834    37.57304  -174.33206
    4     1 S   H    _H2_     4     1.02778   107.19353   -77.11588
    5     1 S   CT   _CA1     5     1.50139   136.69122   127.83126
    6     5 S   HC   _HA1     6     1.09578   105.18896    92.62894
    7     5 S   CO3  _C1_     7     1.53766   112.45174   -27.48720
    8     7 S   O2Z  _O11     8     1.26359   114.99132   -41.84197
    9     7 S   O2Z  _O12     9     1.26242   114.92295   137.24191
   10     5 S   CT   _CB1    10     1.53090   107.40964  -149.49476
   11    10 S   HC   HB11    11     1.09828   109.22036   -50.76159
   12    10 S   HC   HB12    12     1.09816   110.44535    65.75680
   13    10 S   CT   _CG1    13     1.53026   112.74543  -171.87230
   14    13 S   HC   HG11    14     1.09592   110.48167   -66.10850
   15    13 S   HC   HG12    15     1.09663   109.92034    53.12310
   16    13 S   C    _CD1    16     1.51840   112.31268   173.39954
   17    16 S   O    _OE1    17     1.22728   123.25128     0.91343
   18    16 S   N    _N2_    18     1.38646   111.67848  -178.71641
   19    18 S   H    _HN2    19     1.01576   119.01892     1.03439
   20    18 S   CT1  _CA2    20     1.46164   123.38531   178.54156
   21    20 S   HC   _HA2    21     1.09752   109.38669    -0.60974
   22    20 S   C    _C2_    22     1.53521   108.62108  -116.07764
   23    22 S   O    _O2_    23     1.23046   122.17343  -145.51998
   24    20 S   CT   _CB2    32     1.53313   111.65092   121.35301
   25    24 S   HC   HB21    33     1.09519   110.24689    55.51470
   26    24 S   HC   HB22    34     1.09522   109.84086   174.63170
   27    22 S   N    _N3_    24     1.38485   113.57251    41.95843
   28    27 S   H    _HN3    25     1.01485   119.00796    -0.56821
   29    24 S   S    _SG2    35     1.82636   111.60587   -65.70470
   30    27 S   CT   _CA3    26     1.45455   123.43910   174.92125
   31    30 S   HC   HA31    27     1.09522   109.27938    24.38898
   32    30 S   HC   HA32    28     1.09497   107.13301   141.40514
   33    29 S   CT   _C18    36     1.85579    99.34394  -173.18928
   34    33 S   HC   _H3_    37     1.09395   105.97605    34.76833
   35    30 S   CO3  _C3_    29     1.52922   112.99529   -99.10030
   36    35 S   O2Z  _O31    30     1.26412   115.34740   -46.14207
   37    35 S   O2Z  _O32    31     1.26346   115.02452   134.74292
   38    33 S   CM   _C8_    38     1.54672   108.09107   149.81050
   39    33 S   C3T  _C19    56     1.52087   107.28650   -80.41508
   40    39 S   HC   _H47    57     1.08325   115.02823   -39.97392
   41    38 S   CT   _C17    39     1.55247   115.78085   -89.74142
   42    41 S   HC   _H45    40     1.09859   105.74612   140.81356
   43    97 S   O3T  _O34    58     1.43642   124.50967    -1.74159
   44    38 S   CMA  _C10    96     1.37226   123.27950    84.64225
   45    44 S   OM   _O26    97     1.26857   126.25367     4.29979
   46    41 S   CT   _C20    41     1.56716   120.20397   -99.43085
   47    46 S   HC   _H48    42     1.09475   102.29052  -167.32389
   48    41 S   OS   _O37    89     1.45506   109.16471    27.18981
   49    44 S   OS   _O36    98     1.41795   111.80095  -176.26267
   50    46 S   CT   _C16    43     1.55549   117.81724    77.65136
   51    50 S   HC   _H44    44     1.09891   109.17556    27.99287
   52    46 S   OS   _O38    66     1.44763   111.18162   -51.51431
   53    48 S   CO4  _C11    90     1.36101   118.89734   144.51716
   54    53 S   O    _O28    91     1.22270   126.58417     1.43940
   55    49 S   CT   _C26    99     1.42825   113.53975   133.29052
   56    55 S   HC   _H64   100     1.09400   107.74197  -169.81317
   57    55 S   HC   _H65   101     1.09472   110.96343    72.25419
   58    55 S   HC   _H66   102     1.09545   111.15834   -51.62032
   59    50 S   CM   _C6_    45     1.50467   116.56220   146.68613
   60    52 S   CO4  _C13    67     1.36681   118.29698  -114.10889
   61    60 S   O    _O30    68     1.22593   125.44365     4.09309
   62    53 S   CT   _C22    92     1.49863   109.28893  -178.70638
   63    62 S   HC   _H52    93     1.09299   109.81119   -60.20431
   64    62 S   HC   _H53    94     1.09372   109.37340  -179.23741
   65    62 S   HC   _H54    95     1.09297   109.84073    61.65008
   66    59 S   CO4  _C7_    46     1.48098   108.55633   151.48132
   67    66 S   O    _O27    47     1.21744   127.16280   168.20244
   68    59 S   CM   _C9_    63     1.33664   131.31490   -28.60927
   69    68 S   HC   _H40    64     1.08379   122.01857    -0.66470
   70    68 S   HC   _H41    65     1.08576   121.52897   179.93147
   71    60 S   CT   _C28    69     1.53407   111.23494  -174.22172
   72    66 S   OS   _O33    48     1.36159   106.94318   -10.44653
   73    71 S   CT   _C25    70     1.52612   110.14027   -62.72144
   74    73 S   HC   _H61    71     1.09523   111.56472  -168.12755
   75    73 S   HC   _H62    72     1.09393   111.90961    70.00446
   76    73 S   HC   _H63    73     1.09578   110.50777   -50.73296
   77    71 S   CT   _C27    74     1.54578   110.85388    63.17171
   78    77 S   HC   _H67    75     1.09545   109.41850   -61.58905
   79    71 S   OH   _O35    87     1.43140   106.92529  -177.96972
   80    79 S   HO   _H68    88     0.97354   107.37582   -64.08227
   81    50 S   CT   _C14    49     1.53475   116.90180   -98.30068
   82    81 S   HC   _H42    50     1.09206   112.25863   -42.10716
   83    77 S   CT   _C24    76     1.52981   113.51509   176.22213
   84    83 S   HC   _H58    77     1.09517   111.30303   -58.75425
   85    83 S   HC   _H59    78     1.09334   111.74142    63.25054
   86    83 S   HC   _H60    79     1.09530   110.65627  -176.72458
   87    77 S   OS   _O39    80     1.45128   107.49146    57.36700
   88    81 S   CM   _C4_    51     1.49102   111.13426    84.36296
   89    88 S   HC   _H39    52     1.08954   114.62209    56.84551
   90    87 S   CO4  _C12    81     1.36266   117.60802  -152.95368
   91    90 S   O    _O29    82     1.22302   126.36341     0.62870
   92    88 S   CM   _C5_    53     1.34719   126.60312  -113.64193
   93    90 S   CT   _C23    83     1.49821   109.58266  -178.13345
   94    93 S   HC   _H55    84     1.09283   110.09191   -50.23982
   95    93 S   HC   _H56    85     1.09369   109.33958  -168.86392
   96    93 S   HC   _H57    86     1.09253   109.67554    71.48951
   97    92 S   C3T  _C15    54     1.47861   121.61614   161.81485
   98    97 S   HC   _H43    55     1.08543   114.09172   148.91402
   99    92 S   CT   _C21    59     1.50655   122.60534   -12.29870
  100    99 S   HC   _H49    60     1.09237   110.91006    83.44779
  101    99 S   HC   _H50    61     1.09456   111.62230   -38.19623
  102    99 S   HC   _H51    62     1.09534   111.03264  -156.48739
  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
  15   7   2   1   1  16   9   4  16   7   5   8   2  16   7   8
   4  15   8   8   5   4   3   2   1   1   9  12   4   3   2   1
   1   8   3   4   1   1  14   5   9   4   3   2  11   7   3   1
   6   3   5   3   2   1   6   8   3   5   4   6   3   2   1   1
   5   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    97    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    92    97    98    39    40    43    48    44    45    49  
   38    41    97    39    40    43    44  
   36    37  
   37  
    0  
   41    42    46    47    50    97    39    40    43    52    48    53    44    45    49    55  
   40    43    99    44    41    88    92    97    98  
   43    92    97    98  
   42    46    47    50    51    59    81    52    60    48    53    54    62    44    45    49  
   46    47    50    52    48    53    44  
   99    88    92    97    98  
   45    49    55    56    57    58    46    48  
   49    55  
   47    50    51    59    66    72    81    82    88    68    52    60    61    71    48    53  
   50    51    59    81    52    60    48  
   53    54    62    63    64    65    50    52  
   55    56    57    58  
   51    59    66    67    72    81    82    88    89    92    68    69    70    52    60  
   59    66    72    81    82    88    68    52  
   60    61    71    73    77    79    59    81  
   54    62    63    64    65  
   62    63    64    65  
   56    57    58  
   57    58  
   58  
    0  
   66    67    72    81    82    88    68    69    70  
   61    71    73    74    75    76    77    78    83    87    79    80  
   71    73    77    79  
   63    64    65  
   64    65  
   65  
    0  
   67    72    81    82    88    68    69    70  
   72    81    68  
   69    70    72    81  
   70  
    0  
   73    74    75    76    77    78    83    84    85    86    87    90    79    80  
   81    82    88    89    92  
   74    75    76    77    78    83    87    79    80  
   75    76    77    79  
   76    77    79  
   77    79  
   78    83    84    85    86    87    90    91    93    79    80  
   83    84    85    86    87    90    79  
   80    83    87  
    0  
   82    88    89    92    97    99  
   88    89    92  
   84    85    86    87    90  
   85    86    87  
   86    87  
   87  
   90    91    93    94    95    96  
   89    92    97    98    99   100   101   102  
   92    97    99  
   91    93    94    95    96  
   93    94    95    96  
   97    98    99   100   101   102  
   94    95    96  
   95    96  
   96  
    0  
   98    99   100   101   102  
   99  
  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   0.107500   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   89   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   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    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    39   275.000  1.510
   38    41   317.000  1.510
   38    44   465.000  1.376
   41    42   340.000  1.090
   41    46   268.000  1.529
   41    48   320.000  1.410
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   320.000  1.410
   50    51   340.000  1.090
   50    59   317.000  1.510
   50    81   268.000  1.529
   59    66   320.000  1.462
   59    68   549.000  1.340
   66    67   570.000  1.229
   66    72   214.000  1.327
   72    81   320.000  1.410
   81    82   340.000  1.090
   81    88   317.000  1.510
   88    89   340.000  1.080
   88    92   549.000  1.340
   92    97   305.000  1.480
   92    99   317.000  1.510
   97    98   340.000  1.088
   97    39   260.000  1.509
   97    43   335.000  1.432
   39    40   340.000  1.088
   39    43   335.000  1.432
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   52    60   214.000  1.327
   60    61   570.000  1.229
   60    71   317.000  1.522
   71    73   268.000  1.529
   71    77   268.000  1.529
   71    79   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    83   268.000  1.529
   77    87   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    90   214.000  1.327
   90    91   570.000  1.229
   90    93   317.000  1.522
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   79    80   553.000  0.945
   48    53   214.000  1.327
   53    54   570.000  1.229
   53    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   44    45   745.000  1.250
   44    49   440.000  1.360
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    39    75.00000  111.63000
   33    38    41    65.00000  117.92700
   33    38    44    70.00000  124.00000
   33    39    97    60.00000  120.94000
   33    39    40    40.00000  115.04500
   33    39    43    80.00000  116.47100
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  109.50000
   38    41    46    70.00000  112.02700
   38    41    48    85.00000  110.90400
   38    44    45    65.00000  137.10300
   38    44    49    80.00000  120.01400
   41    46    47    37.50000  110.70000
   41    46    50    58.35000  112.70000
   41    46    52    50.00000  109.50000
   41    48    53    83.00000  116.90000
   46    41    42    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    59    70.00000  112.02700
   46    50    81    58.35000  112.70000
   46    52    60    83.00000  116.90000
   50    46    47    37.50000  110.70000
   50    59    66    65.00000  116.34900
   50    59    68    70.00000  124.00000
   50    81    72    50.00000  109.50000
   50    81    82    37.50000  110.70000
   50    81    88    70.00000  112.02700
   59    50    51    35.00000  109.50000
   59    66    67    80.00000  123.72100
   59    66    72    90.00000  111.29400
   59    68    69    35.00000  120.00000
   59    68    70    35.00000  120.00000
   66    72    81    83.00000  116.90000
   72    66    67    83.00000  123.40000
   72    81    82    35.00000  109.50000
   72    81    88    85.00000  110.90400
   81    50    51    37.50000  110.70000
   81    50    59    70.00000  112.02700
   81    88    89    35.00000  117.00000
   81    88    92    70.00000  124.00000
   88    81    82    35.00000  109.50000
   88    92    97    55.00000  125.06700
   88    92    99    70.00000  124.00000
   92    88    89    35.00000  120.00000
   92    97    98    40.00000  112.45000
   92    97    39    60.00000  120.58800
   92    97    43    85.00000  114.23300
   92    99   100    35.00000  109.50000
   92    99   101    35.00000  109.50000
   92    99   102    35.00000  109.50000
   97    39    40    37.50000  117.20000
   97    39    43    15.00000   60.43100
   97    43    39    15.00000   59.14900
   39    33    34    45.00000  109.38400
   39    33    38    70.00000  112.02700
   39    97    98    37.50000  117.20000
   43    97    98    50.00000  114.27700
   43    97    39    15.00000   60.43100
   43    39    40    50.00000  114.27700
   99    92    97    65.00000  117.92700
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   68    59    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   52    46    47    35.00000  109.50000
   52    46    50    50.00000  109.50000
   52    60    61    83.00000  123.40000
   52    60    71    81.00000  111.40000
   60    71    73    63.00000  111.10000
   60    71    77    63.00000  111.10000
   60    71    79    90.00000  109.61100
   71    60    61    80.00000  120.40000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    76    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    83    58.35000  112.70000
   71    77    87    50.00000  109.50000
   71    79    80    55.00000  108.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    71    73    58.35000  112.70000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    86    37.50000  110.70000
   77    87    90    83.00000  116.90000
   83    77    78    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    77    78    35.00000  109.50000
   87    77    83    50.00000  109.50000
   87    90    91    83.00000  123.40000
   87    90    93    81.00000  111.40000
   90    93    94    35.00000  109.50000
   90    93    95    35.00000  109.50000
   90    93    96    35.00000  109.50000
   93    90    91    80.00000  120.40000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   79    71    73    50.00000  109.50000
   79    71    77    50.00000  109.50000
   48    41    42    35.00000  109.50000
   48    41    46    50.00000  109.50000
   48    53    54    83.00000  123.40000
   48    53    62    81.00000  111.40000
   53    62    63    35.00000  109.50000
   53    62    64    35.00000  109.50000
   53    62    65    35.00000  109.50000
   62    53    54    80.00000  120.40000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   44    38    41    70.00000  124.00000
   44    49    55    90.00000  111.18400
   49    44    45    65.00000  121.00000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   29    33    39    97   0.44750  1.0 1.0
   29    33    39    97  -0.17800 -1.0 2.0
   29    33    39    97   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    46   0.46850  1.0 1.0
   33    38    41    46   0.08550 -1.0 2.0
   33    38    41    46   0.09800  1.0 3.0
   33    38    41    48   0.09700  1.0 1.0
   33    38    41    48   0.15600 -1.0 2.0
   33    38    41    48  -0.50800  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    49   7.00000 -1.0 2.0
   33    39   -43    97   0.06250  1.0 1.0
   33    39   -43    97  -0.01100 -1.0 2.0
   33    39   -43    97   0.28050  1.0 3.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    39    97   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   38    33    39    97   0.34400  1.0 1.0
   38    33    39    97   0.09450 -1.0 2.0
   38    33    39    97   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.61850  1.0 1.0
   38    33    39    43  -0.22750 -1.0 2.0
   38    33    39    43   0.15300  1.0 3.0
   38    41    46    47   0.15000  1.0 3.0
   38    41    46    50   0.34400  1.0 1.0
   38    41    46    50   0.09450 -1.0 2.0
   38    41    46    50   0.11100  1.0 3.0
   38    41    46    52   0.61850  1.0 1.0
   38    41    46    52  -0.22750 -1.0 2.0
   38    41    46    52   0.15300  1.0 3.0
   38    41    48    53  -0.82050  1.0 1.0
   38    41    48    53   0.00600 -1.0 2.0
   38    41    48    53   0.04400  1.0 3.0
   38    44    49    55  -2.26850  1.0 1.0
   38    44    49    55   3.39050 -1.0 2.0
   41    38    44    45   7.00000 -1.0 2.0
   41    38    44    49   7.00000 -1.0 2.0
   41    46    50    51   0.15000  1.0 3.0
   41    46    50    59   0.34400  1.0 1.0
   41    46    50    59   0.09450 -1.0 2.0
   41    46    50    59   0.11100  1.0 3.0
   41    46    50    81   0.56750  1.0 1.0
   41    46    50    81  -0.07550 -1.0 2.0
   41    46    50    81   0.20000  1.0 3.0
   41    46    52    60  -0.25900  1.0 1.0
   41    46    52    60  -0.47000 -1.0 2.0
   41    46    52    60   0.11750  1.0 3.0
   41    48    53    54   3.00000 -1.0 2.0
   41    48    53    62   1.63150  1.0 1.0
   41    48    53    62   2.92000 -1.0 2.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    50   0.15000  1.0 3.0
   42    41    46    52   0.23400  1.0 3.0
   42    41    48    53   0.08050  1.0 3.0
   46    41    48    53  -0.25900  1.0 1.0
   46    41    48    53  -0.47000 -1.0 2.0
   46    41    48    53   0.11750  1.0 3.0
   46    50    59    66   0.09700  1.0 1.0
   46    50    59    66   0.15600 -1.0 2.0
   46    50    59    66  -0.50800  1.0 3.0
   46    50    59    68   0.09850  1.0 1.0
   46    50    59    68   0.15250 -1.0 2.0
   46    50    59    68  -0.50650  1.0 3.0
   46    50    81    72   0.62750  1.0 1.0
   46    50    81    72  -0.30950 -1.0 2.0
   46    50    81    72   0.27300  1.0 3.0
   46    50    81    82   0.15000  1.0 3.0
   46    50    81    88   0.34400  1.0 1.0
   46    50    81    88   0.09450 -1.0 2.0
   46    50    81    88   0.11100  1.0 3.0
   46    52    60    61   3.00000 -1.0 2.0
   46    52    60    71   1.63150  1.0 1.0
   46    52    60    71   2.92000 -1.0 2.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    59   0.15000  1.0 3.0
   47    46    50    81   0.15000  1.0 3.0
   47    46    52    60   0.08050  1.0 3.0
   50    46    52    60  -0.25900  1.0 1.0
   50    46    52    60  -0.47000 -1.0 2.0
   50    46    52    60   0.11750  1.0 3.0
   50    59    66    67  -0.64400  1.0 1.0
   50    59    66    67   0.26850 -1.0 2.0
   50    59   -66    72  -0.15000  1.0 1.0
   50    59   -66    72   0.89550 -1.0 2.0
   50    59   -66    72  -0.06900  1.0 3.0
   50    59    68    69   7.00000 -1.0 2.0
   50    59    68    70   7.00000 -1.0 2.0
   50    81    88    89   0.00000  1.0 1.0
   50    81    88    92   0.09850  1.0 1.0
   50    81    88    92   0.15250 -1.0 2.0
   50    81    88    92  -0.50650  1.0 3.0
   51    50    59    66   0.15000  1.0 3.0
   51    50    59    68   0.00000  1.0 1.0
   51    50    81    72   0.23400  1.0 3.0
   51    50    81    82   0.15000  1.0 3.0
   51    50    81    88   0.15000  1.0 3.0
   59    50   -81    72   0.61850  1.0 1.0
   59    50   -81    72  -0.22750 -1.0 2.0
   59    50   -81    72   0.15300  1.0 3.0
   59    50    81    82   0.15000  1.0 3.0
   59    50    81    88   0.31000  1.0 1.0
   59    50    81    88   0.14700 -1.0 2.0
   59    50    81    88   0.07550  1.0 3.0
   59    66   -72    81   2.00000 -1.0 2.0
   66    59    68    69   7.00000 -1.0 2.0
   66    59    68    70   7.00000 -1.0 2.0
   66    72   -81    50  -0.25900  1.0 1.0
   66    72   -81    50  -0.47000 -1.0 2.0
   66    72   -81    50   0.11750  1.0 3.0
   66    72    81    82   0.08050  1.0 3.0
   66    72    81    88  -0.82050  1.0 1.0
   66    72    81    88   0.00600 -1.0 2.0
   66    72    81    88   0.04400  1.0 3.0
   67    66    72    81   3.00000 -1.0 2.0
   72    81    88    89   0.00000  1.0 1.0
   72    81    88    92   0.39000  1.0 1.0
   72    81    88    92  -0.05800 -1.0 2.0
   72    81    88    92  -0.55150  1.0 3.0
   81    50   -59    66   0.09700  1.0 1.0
   81    50   -59    66   0.15600 -1.0 2.0
   81    50   -59    66  -0.50800  1.0 3.0
   81    50    59    68   0.09850  1.0 1.0
   81    50    59    68   0.15250 -1.0 2.0
   81    50    59    68  -0.50650  1.0 3.0
   81    88    92    97   7.00000 -1.0 2.0
   81    88    92    99   7.00000 -1.0 2.0
   82    81    88    89   0.33100  1.0 3.0
   82    81    88    92   0.00000  1.0 1.0
   88    92    97    98   0.00000  1.0 1.0
   88    92    97    39   0.09850  1.0 1.0
   88    92    97    39   0.15250 -1.0 2.0
   88    92    97    39  -0.50650  1.0 3.0
   88    92    97    43   0.39000  1.0 1.0
   88    92    97    43  -0.05800 -1.0 2.0
   88    92    97    43  -0.55150  1.0 3.0
   88    92    99   100   0.00000  1.0 1.0
   88    92    99   101   0.00000  1.0 1.0
   88    92    99   102   0.00000  1.0 1.0
   89    88    92    97   7.00000 -1.0 2.0
   89    88    92    99   7.00000 -1.0 2.0
   92    97    39    33   0.34400  1.0 1.0
   92    97    39    33   0.09450 -1.0 2.0
   92    97    39    33   0.11100  1.0 3.0
   92    97    39    40   0.15000  1.0 3.0
   92    97   -39    43   0.61850  1.0 1.0
   92    97   -39    43  -0.22750 -1.0 2.0
   92    97   -39    43   0.15300  1.0 3.0
   92    97   -43    39  -0.77900  1.0 1.0
   92    97   -43    39  -0.36900 -1.0 2.0
   92    97   -43    39   0.40400  1.0 3.0
   97    92    99   100   0.34800  1.0 3.0
   97    92    99   101   0.34800  1.0 3.0
   97    92    99   102   0.34800  1.0 3.0
   98    97    39    33   0.15000  1.0 3.0
   98    97    39    40   0.15000  1.0 3.0
   98    97   -39    43   0.23400  1.0 3.0
   98    97   -43    39   0.36800  1.0 3.0
   39    33    38    41   0.46850  1.0 1.0
   39    33    38    41   0.08550 -1.0 2.0
   39    33    38    41   0.09800  1.0 3.0
   39    33    38    44   0.09850  1.0 1.0
   39    33    38    44   0.15250 -1.0 2.0
   39    33    38    44  -0.50650  1.0 3.0
   40    39   -43    97   0.36800  1.0 3.0
   43    97   -39    33   0.02550  1.0 1.0
   43    97   -39    33  -0.02600 -1.0 2.0
   43    97   -39    33   1.20400  1.0 3.0
   43    97   -39    40   0.23400  1.0 3.0
   99    92    97    98   0.34800  1.0 3.0
   99    92    97    39   0.46850  1.0 1.0
   99    92    97    39   0.08550 -1.0 2.0
   99    92    97    39   0.09800  1.0 3.0
   99    92    97    43   0.09700  1.0 1.0
   99    92    97    43   0.15600 -1.0 2.0
   99    92    97    43  -0.50800  1.0 3.0
   68    59    66    67   1.00000 -1.0 2.0
   68    59    66    72  -0.56150  1.0 1.0
   68    59    66    72   2.19150 -1.0 2.0
   52    46    50    51   0.23400  1.0 3.0
   52    46    50    59   0.61850  1.0 1.0
   52    46    50    59  -0.22750 -1.0 2.0
   52    46    50    59   0.15300  1.0 3.0
   52    46    50    81   0.62750  1.0 1.0
   52    46    50    81  -0.30950 -1.0 2.0
   52    46    50    81   0.27300  1.0 3.0
   52    60    71    73   0.36750  1.0 3.0
   52    60    71    77   0.36750  1.0 3.0
   52    60    71    79   0.30750  1.0 1.0
   52    60    71    79   1.13850 -1.0 2.0
   52    60    71    79   0.38850  1.0 3.0
   60    71    73    74  -0.11250  1.0 3.0
   60    71    73    75  -0.11250  1.0 3.0
   60    71    73    76  -0.11250  1.0 3.0
   60    71    77    78  -0.11250  1.0 3.0
   60    71    77    83  -0.95700  1.0 1.0
   60    71    77    83  -0.18200 -1.0 2.0
   60    71    77    83   0.29450  1.0 3.0
   60    71    77    87  -0.09450  1.0 1.0
   60    71    77    87  -1.12950 -1.0 2.0
   60    71    77    87   0.54000  1.0 3.0
   60    71    79    80   0.91850  1.0 1.0
   60    71    79    80   0.57950  1.0 3.0
   61    60    71    73   0.30150 -1.0 2.0
   61    60    71    77   0.30150 -1.0 2.0
   61    60    71    79   0.30150 -1.0 2.0
   71    77    83    84   0.15000  1.0 3.0
   71    77    83    85   0.15000  1.0 3.0
   71    77    83    86   0.15000  1.0 3.0
   71    77    87    90  -0.25900  1.0 1.0
   71    77    87    90  -0.47000 -1.0 2.0
   71    77    87    90   0.11750  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    83   0.56750  1.0 1.0
   73    71    77    83  -0.07550 -1.0 2.0
   73    71    77    83   0.20000  1.0 3.0
   73    71    77    87   0.62750  1.0 1.0
   73    71    77    87  -0.30950 -1.0 2.0
   73    71    77    87   0.27300  1.0 3.0
   73    71    79    80  -0.11600  1.0 1.0
   73    71    79    80  -0.09450 -1.0 2.0
   73    71    79    80   0.21250  1.0 3.0
   77    71    73    74   0.15000  1.0 3.0
   77    71    73    75   0.15000  1.0 3.0
   77    71    73    76   0.15000  1.0 3.0
   77    71    79    80  -0.11600  1.0 1.0
   77    71    79    80  -0.09450 -1.0 2.0
   77    71    79    80   0.21250  1.0 3.0
   77    87    90    91   3.00000 -1.0 2.0
   77    87    90    93   1.63150  1.0 1.0
   77    87    90    93   2.92000 -1.0 2.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    86   0.15000  1.0 3.0
   78    77    87    90   0.08050  1.0 3.0
   83    77    87    90  -0.25900  1.0 1.0
   83    77    87    90  -0.47000 -1.0 2.0
   83    77    87    90   0.11750  1.0 3.0
   87    77    83    84   0.23400  1.0 3.0
   87    77    83    85   0.23400  1.0 3.0
   87    77    83    86   0.23400  1.0 3.0
   87    90    93    94   0.00000  1.0 1.0
   87    90    93    95   0.00000  1.0 1.0
   87    90    93    96   0.00000  1.0 1.0
   91    90    93    94   0.00000  1.0 1.0
   91    90    93    95   0.00000  1.0 1.0
   91    90    93    96   0.00000  1.0 1.0
   79    71    73    74   0.23400  1.0 3.0
   79    71    73    75   0.23400  1.0 3.0
   79    71    73    76   0.23400  1.0 3.0
   79    71    77    78   0.23400  1.0 3.0
   79    71    77    83   0.86500  1.0 1.0
   79    71    77    83  -0.17500 -1.0 2.0
   79    71    77    83   0.20800  1.0 3.0
   79    71    77    87   3.69350  1.0 1.0
   79    71    77    87  -1.82950 -1.0 2.0
   48    41    46    47   0.23400  1.0 3.0
   48    41    46    50   0.62750  1.0 1.0
   48    41    46    50  -0.30950 -1.0 2.0
   48    41    46    50   0.27300  1.0 3.0
   48    41    46    52   1.11900  1.0 1.0
   48    41    46    52  -1.16350 -1.0 2.0
   48    41    46    52  -0.34150  1.0 3.0
   48    53    62    63   0.00000  1.0 1.0
   48    53    62    64   0.00000  1.0 1.0
   48    53    62    65   0.00000  1.0 1.0
   54    53    62    63   0.00000  1.0 1.0
   54    53    62    64   0.00000  1.0 1.0
   54    53    62    65   0.00000  1.0 1.0
   44    38    41    42   0.00000  1.0 1.0
   44    38    41    46   0.09850  1.0 1.0
   44    38    41    46   0.15250 -1.0 2.0
   44    38    41    46  -0.50650  1.0 3.0
   44    38    41    48   0.39000  1.0 1.0
   44    38    41    48  -0.05800 -1.0 2.0
   44    38    41    48  -0.55150  1.0 3.0
   44    49    55    56   0.08050  1.0 3.0
   44    49    55    57   0.08050  1.0 3.0
   44    49    55    58   0.08050  1.0 3.0
   45    44    49    55   2.00000 -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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    44   1.10000 -1.0 2.0
   50    66    59    68   1.10000 -1.0 2.0
   59    72    66    67  10.50000 -1.0 2.0
   81    89    88    92   1.10000 -1.0 2.0
   97    99    92    88   1.10000 -1.0 2.0
   69    70    68    59   1.10000 -1.0 2.0
   52    71    60    61  10.50000 -1.0 2.0
   87    93    90    91  10.50000 -1.0 2.0
   48    62    53    54  10.50000 -1.0 2.0
   45    49    44    38   1.10000 -1.0 2.0
END
