* LIGAND DATABASE FILE (OPLS2005)
*
001     104   107    196    297     562
    1     0 S   NP   _N1_     1    29.02136    97.41846   -24.66860
    2     1 S   H    _HN1     2     1.02787   113.05698   -92.14845
    3     1 S   H    _H1_     3     1.02949    63.52720     7.67583
    4     1 S   H    _H2_     4     1.02828    44.40836   175.40995
    5     1 S   CT   _CA1     5     1.50110   133.62249   101.31360
    6     5 S   HC   _HA1     6     1.09573   105.19621   105.27373
    7     5 S   CO3  _C1_     7     1.53789   112.48136   -14.97166
    8     7 S   O2Z  _O11     8     1.26373   115.00915   -42.25981
    9     7 S   O2Z  _O12     9     1.26242   114.94767   136.89682
   10     5 S   CT   _CB1    10     1.53080   107.42255  -136.73103
   11    10 S   HC   HB11    11     1.09833   109.37815   -49.64868
   12    10 S   HC   HB12    12     1.09813   110.44441    66.96386
   13    10 S   CT   _CG1    13     1.52989   112.60300  -170.62103
   14    13 S   HC   HG11    14     1.09580   110.63797   -65.67132
   15    13 S   HC   HG12    15     1.09671   109.77614    53.55830
   16    13 S   C    _CD1    16     1.51801   112.22562   174.02689
   17    16 S   O    _OE1    17     1.22733   123.26870     7.23538
   18    16 S   N    _N2_    18     1.38639   111.65409  -172.80571
   19    18 S   H    _HN2    19     1.01578   118.97521     1.72737
   20    18 S   CT1  _CA2    20     1.46221   123.47006   177.59377
   21    20 S   HC   _HA2    21     1.09739   109.30305     4.75753
   22    20 S   C    _C2_    22     1.53632   108.90849  -110.72782
   23    22 S   O    _O2_    23     1.23065   122.31158  -149.79456
   24    20 S   CT   _CB2    32     1.53303   111.44323   126.70635
   25    24 S   HC   HB21    33     1.09569   110.02220    55.48542
   26    24 S   HC   HB22    34     1.09400   109.89730   174.71168
   27    22 S   N    _N3_    24     1.38326   113.81119    37.79588
   28    27 S   H    _HN3    25     1.01559   119.59386    -3.40933
   29    24 S   S    _SG2    35     1.82865   111.45438   -65.52248
   30    27 S   CT   _CA3    26     1.45273   123.20127   177.07738
   31    30 S   HC   HA31    27     1.09550   107.52234   -64.44518
   32    30 S   HC   HA32    28     1.09557   107.97955    51.99768
   33    29 S   CT   _C30    36     1.83843    99.80012   171.98913
   34    33 S   HC   _H3_    37     1.09519   105.83212   -56.30333
   35    30 S   CO3  _C3_    29     1.52949   114.07032   173.99433
   36    35 S   O2Z  _O31    30     1.26377   116.07701    -0.33279
   37    35 S   O2Z  _O32    31     1.26427   114.41218   179.72375
   38    33 S   CM   _C11    38     1.53024   111.51098    65.10940
   39    33 S   CT   _C27   101     1.53081   109.07344  -170.15142
   40    39 S   HC   _H62   102     1.09569   112.69383   -59.06049
   41    39 S   HC   _H63   103     1.09623   110.91734    61.78578
   42    39 S   HC   _H64   104     1.09620   110.51989  -179.50901
   43    38 S   CMA  _C12    39     1.36806   122.62562  -114.44683
   44    43 S   OM   _O28    40     1.26847   125.44691     0.68185
   45    38 S   CT   _C29    83     1.52207   116.22510    66.85139
   46    45 S   HC   _H67    84     1.09660   111.12310  -143.23347
   47    45 S   HC   _H68    85     1.09450   111.69987   -24.38757
   48    43 S   OS   _O37    41     1.41477   110.69606  -177.27294
   49    45 S   OS   _O38    86     1.43735   108.17253    94.46931
   50    48 S   CT   _C22    42     1.43652   118.97126  -157.09047
   51    50 S   HC   _H52    43     1.09735   111.16278    17.50676
   52    49 S   CO4  _C13    87     1.35792   116.46376   158.73270
   53    52 S   O    _O30    88     1.22264   126.05315     2.67430
   54    50 S   CT   _C15    44     1.53413   108.75775  -100.91397
   55    54 S   HC   _H43    45     1.09758   108.91122    55.60143
   56    54 S   HC   _H44    46     1.09691   109.35388   171.10362
   57    50 S   CT   _C19    63     1.54159   108.55760   135.84454
   58    57 S   HC   _H49    64     1.09870   109.45372   175.53753
   59    52 S   CM   _C10    89     1.49353   109.44014  -176.85888
   60    54 S   C3T  _C23    47     1.51547   113.99899   -66.42287
   61    57 S   CM   _C6_    65     1.49740   115.31954   -63.71775
   62    59 S   CM   _C9_    90     1.34665   115.88089   158.93080
   63    62 S   HC   _H42    91     1.08870   119.50438    -0.72308
   64    59 S   CT   _C28    96     1.50057   118.71774   -23.52247
   65    64 S   HC   _H65    97     1.09581   110.97664   -33.96657
   66    64 S   HC   _H66    98     1.09382   112.24840  -153.11300
   67    60 S   C3T  _C16    48     1.52056   119.03831    80.29284
   68    67 S   HC   _H45    49     1.08059   120.21879  -156.32018
   69    67 S   HC   _H46    50     1.08284   118.96147    -7.50679
   70    60 S   CT   _C20    52     1.52841   115.68762   -80.29342
   71    70 S   HC   _H50    53     1.09839   106.68236   -32.56122
   72    61 S   CO4  _C7_    66     1.47477   108.83104   145.37992
   73    72 S   O    _O29    67     1.21745   127.22836   169.66795
   74    61 S   CM   _C8_    69     1.33635   130.27736   -33.34814
   75    74 S   HC   _H40    70     1.08459   121.47026    -0.80891
   76    74 S   HC   _H41    71     1.08539   121.77919   179.04571
   77    62 S   CT   _C25    92     1.49541   126.90326  -178.93670
   78    77 S   HC   _H56    93     1.09413   109.87722  -113.64799
   79    77 S   HC   _H57    94     1.09497   109.39918   127.79519
   80    77 S   HC   _H58    95     1.09228   113.49396     8.02238
   81    64 S   OH   _O36    99     1.42009   109.34179    86.30269
   82    81 S   HO   _H70   100     0.97214   107.13977  -174.74488
   83    60 S   O3T  _O35    51     1.43648   111.39027   144.29428
   84    70 S   CT   _C17    54     1.55032   119.17254  -153.68602
   85    84 S   HC   _H47    55     1.09978   110.37973   153.39920
   86   103 S   OS   _O34    68     1.44713   107.75702  -165.05586
   87    84 S   CM   _C4_    56     1.49435   102.62261   -93.30421
   88    87 S   HC   _H39    57     1.08081   123.83225   163.46913
   89    84 S   OS   _O39    76     1.42412   116.80341    28.24340
   90    87 S   CM   _C5_    58     1.33998   111.12404   -21.28526
   91    89 S   CO4  _C14    77     1.36416   116.00892    79.14350
   92    91 S   O    _O33    78     1.22344   126.37403    -0.27695
   93    70 S   CT   _C18    59     1.55735   112.20092    86.42382
   94    93 S   HC   _H48    60     1.10075   108.74010  -149.45841
   95    90 S   CT   _C24    72     1.48799   125.42982  -174.78891
   96    95 S   HC   _H53    73     1.09432   110.40936   119.16185
   97    95 S   HC   _H54    74     1.09515   111.52770    -0.50358
   98    95 S   HC   _H55    75     1.09342   110.86232  -120.29512
   99    91 S   CT   _C26    79     1.49849   109.52345   179.74744
  100    99 S   HC   _H59    80     1.09288   109.82321   -60.87647
  101    99 S   HC   _H60    81     1.09379   109.34534  -179.89532
  102    99 S   HC   _H61    82     1.09282   109.89001    61.05208
  103    93 S   CT   _C21    61     1.53638   116.64979   -26.69724
  104   103 S   HC   _H51    62     1.09689   110.39624    79.20894
  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  13   5   2   1   1  10   3   7   3   2  10
   5  17   8   9   3  15   6   5  15   7  11  14   9   9   5   5
   3   2   7   3   2  15   9   8   3   4   1   1   3   2   1   1
   1   1   2  12   6   5  11   4   8   8   5   4   7   3   4   2
   1   1   3   2   1   1   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    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    45    46    47    49    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    50    45    46    47    49    52    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    50    51    54    57    45    46    47    49  
   48    50    45  
   46    47    49    52    53    59    48  
   47    49    52  
   49    52  
   50    51    54    55    56    60   103    57    58    61  
   52    53    59    62    64  
   51    54    55    56    60    67    83    70    93   103   104    57    58    61    72    86    74  
   54    55    56    60   103    57    58    61  
   53    59    62    63    77    64    65    66    81  
   59    62    64  
   55    56    60    67    68    69    83    70    71    84    93   103    57    58    61  
   56    60    67    83    70    57  
   60    67    83    70    57  
   58    61    72    73    86    74    75    76    60    70    90    93    94   103   104  
   61    72    86    74    93   103   104  
   62    63    77    78    79    80    64    65    66    81    82  
   67    68    69    83    70    71    84    85    87    90    93    94   103    89  
   72    73    86    74    75    76    93   103   104  
   63    77    78    79    80    64    65    66    81  
   77    78    79    80    64  
   65    66    81    82    77  
   66    81    82  
   81    82  
   68    69    83    70    71    84    93  
   69    83    70  
   83    70  
   71    84    85    87    88    90    93    94   103   104    86    95    89    91    83  
   84    85    87    90    93    94   103    89    83  
   73    86    74    75    76    93   103   104  
   86    74   103  
   75    76    86   103  
   76  
    0  
   78    79    80  
   79    80  
   80  
    0  
   82  
    0  
   84    93  
   85    87    88    90    93    94   103    95    89    91    92    99  
   87    88    90    93    89    91  
   90    93    94   103   104  
   88    90    93    94   103    95    96    97    98    89    91  
   90    93    95    89  
   91    92    99   100   101   102    90    93  
   93    94   103   104    95    96    97    98  
   92    99   100   101   102  
   99   100   101   102  
   94   103   104    95    96    97    98  
  103   104    95  
   96    97    98   103  
   97    98  
   98  
    0  
  100   101   102  
  101   102  
  102  
    0  
  104  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   84   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   91   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   275.000  1.510
   60    67   260.000  1.509
   60    83   335.000  1.432
   60    70   275.000  1.510
   67    68   340.000  1.088
   67    69   340.000  1.088
   67    83   335.000  1.432
   70    71   340.000  1.090
   70    84   268.000  1.529
   70    93   268.000  1.529
   84    85   340.000  1.090
   84    87   317.000  1.510
   84    89   320.000  1.410
   87    88   340.000  1.080
   87    90   549.000  1.340
   90    93   317.000  1.510
   90    95   317.000  1.510
   93    94   340.000  1.090
   93   103   268.000  1.529
  103   104   340.000  1.090
  103    57   268.000  1.529
  103    86   320.000  1.410
   57    58   340.000  1.090
   57    61   317.000  1.510
   61    72   320.000  1.462
   61    74   549.000  1.340
   72    73   570.000  1.229
   72    86   214.000  1.327
   74    75   340.000  1.080
   74    76   340.000  1.080
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   89    91   214.000  1.327
   91    92   570.000  1.229
   91    99   317.000  1.522
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   320.000  1.410
   49    52   214.000  1.327
   52    53   570.000  1.229
   52    59   320.000  1.462
   59    62   549.000  1.340
   59    64   317.000  1.510
   62    63   340.000  1.080
   62    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    81   320.000  1.410
   81    82   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    49    85.00000  110.90400
   43    48    50    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    50    51    35.00000  109.50000
   48    50    54    50.00000  109.50000
   48    50    57    50.00000  109.50000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    60    70.00000  112.37300
   50    57   103    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    61    70.00000  112.02700
   54    50    51    37.50000  110.70000
   54    60    67    60.00000  120.94000
   54    60    83    80.00000  116.47100
   54    60    70    58.35000  112.70000
   56    54    55    33.00000  107.80000
   60    54    55    45.00000  109.38400
   60    54    56    45.00000  109.38400
   60    67    68    37.50000  117.20000
   60    67    69    37.50000  117.20000
   60    67    83    15.00000   60.43100
   60    83    67    15.00000   59.14900
   60    70    71    45.00000  109.38400
   60    70    84    70.00000  112.37300
   60    70    93    70.00000  112.37300
   69    67    68    35.00000  114.30000
   83    60    67    15.00000   60.43100
   83    67    68    50.00000  114.27700
   83    67    69    50.00000  114.27700
   70    60    67    60.00000  120.94000
   70    60    83    80.00000  116.47100
   70    84    85    37.50000  110.70000
   70    84    87    70.00000  112.02700
   70    84    89    50.00000  109.50000
   70    93    90    70.00000  112.02700
   70    93    94    37.50000  110.70000
   70    93   103    58.35000  112.70000
   84    70    71    37.50000  110.70000
   84    87    88    35.00000  117.00000
   84    87    90    70.00000  124.00000
   84    89    91    83.00000  116.90000
   87    84    85    35.00000  109.50000
   87    90    93    70.00000  124.00000
   87    90    95    70.00000  124.00000
   90    87    88    35.00000  120.00000
   90    93    94    35.00000  109.50000
   90    93   103    70.00000  112.02700
   90    95    96    35.00000  109.50000
   90    95    97    35.00000  109.50000
   90    95    98    35.00000  109.50000
   93    70    71    37.50000  110.70000
   93    70    84    58.35000  112.70000
   93   103   104    37.50000  110.70000
   93   103    57    58.35000  112.70000
   93   103    86    50.00000  109.50000
  103    93    94    37.50000  110.70000
  103    57    58    37.50000  110.70000
  103    57    61    70.00000  112.02700
  103    86    72    83.00000  116.90000
   57    50    51    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57   103   104    37.50000  110.70000
   57    61    72    65.00000  116.34900
   57    61    74    70.00000  124.00000
   61    57    58    35.00000  109.50000
   61    72    73    80.00000  123.72100
   61    72    86    90.00000  111.29400
   61    74    75    35.00000  120.00000
   61    74    76    35.00000  120.00000
   86   103   104    35.00000  109.50000
   86   103    57    50.00000  109.50000
   86    72    73    83.00000  123.40000
   74    61    72    65.00000  118.96000
   76    74    75    35.00000  117.00000
   95    90    93    65.00000  117.92700
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   89    84    85    35.00000  109.50000
   89    84    87    85.00000  110.90400
   89    91    92    83.00000  123.40000
   89    91    99    81.00000  111.40000
   91    99   100    35.00000  109.50000
   91    99   101    35.00000  109.50000
   91    99   102    35.00000  109.50000
   99    91    92    80.00000  120.40000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   45    38    43    70.00000  124.00000
   45    49    52    83.00000  116.90000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   49    52    53    83.00000  123.40000
   49    52    59    90.00000  111.29400
   52    59    62    65.00000  118.96000
   52    59    64    65.00000  116.34900
   59    52    53    80.00000  123.72100
   59    62    63    35.00000  120.00000
   59    62    77    70.00000  124.00000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    81    90.00000  110.39200
   62    77    78    35.00000  109.50000
   62    77    79    35.00000  109.50000
   62    77    80    35.00000  109.50000
   77    62    63    35.00000  117.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   64    59    62    70.00000  124.00000
   64    81    82    55.00000  108.50000
   66    64    65    33.00000  107.80000
   81    64    65    35.00000  109.50000
   81    64    66    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    49   0.09700  1.0 1.0
   33    38    45    49   0.15600 -1.0 2.0
   33    38    45    49  -0.50800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    50  -2.26850  1.0 1.0
   38    43    48    50   3.39050 -1.0 2.0
   38    45    49    52  -0.82050  1.0 1.0
   38    45    49    52   0.00600 -1.0 2.0
   38    45    49    52   0.04400  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    49   0.39000  1.0 1.0
   43    38    45    49  -0.05800 -1.0 2.0
   43    38    45    49  -0.55150  1.0 3.0
   43    48    50    51   0.08050  1.0 3.0
   43    48    50    54  -0.46850  1.0 1.0
   43    48    50    54   0.09300 -1.0 2.0
   43    48    50    54  -0.12850  1.0 3.0
   43    48    50    57  -0.46850  1.0 1.0
   43    48    50    57   0.09300 -1.0 2.0
   43    48    50    57  -0.12850  1.0 3.0
   44    43    48    50   2.00000 -1.0 2.0
   48    50    54    55   0.23400  1.0 3.0
   48    50    54    56   0.23400  1.0 3.0
   48    50    54    60  -0.26800  1.0 1.0
   48    50    54    60   0.69150 -1.0 2.0
   48    50    54    60  -0.48750  1.0 3.0
   48    50    57   103   0.62750  1.0 1.0
   48    50    57   103  -0.30950 -1.0 2.0
   48    50    57   103   0.27300  1.0 3.0
   48    50    57    58   0.23400  1.0 3.0
   48    50    57    61   0.61850  1.0 1.0
   48    50    57    61  -0.22750 -1.0 2.0
   48    50    57    61   0.15300  1.0 3.0
   50    54    60    67   0.07850  1.0 1.0
   50    54    60    67  -0.03950 -1.0 2.0
   50    54    60    67   0.67350  1.0 3.0
   50    54    60    83   0.02550  1.0 1.0
   50    54    60    83  -0.02600 -1.0 2.0
   50    54    60    83   1.20400  1.0 3.0
   50    54    60    70   0.56750  1.0 1.0
   50    54    60    70  -0.07550 -1.0 2.0
   50    54    60    70   0.20000  1.0 3.0
   50    57    61    72   0.09700  1.0 1.0
   50    57    61    72   0.15600 -1.0 2.0
   50    57    61    72  -0.50800  1.0 3.0
   50    57    61    74   0.09850  1.0 1.0
   50    57    61    74   0.15250 -1.0 2.0
   50    57    61    74  -0.50650  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    60   0.15000  1.0 3.0
   51    50    57   103   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    61   0.15000  1.0 3.0
   54    50    57   103   0.56750  1.0 1.0
   54    50    57   103  -0.07550 -1.0 2.0
   54    50    57   103   0.20000  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    61   0.34400  1.0 1.0
   54    50    57    61   0.09450 -1.0 2.0
   54    50    57    61   0.11100  1.0 3.0
   54    60    67    68   0.15000  1.0 3.0
   54    60    67    69   0.15000  1.0 3.0
   54    60   -67    83   0.02550  1.0 1.0
   54    60   -67    83  -0.02600 -1.0 2.0
   54    60   -67    83   1.20400  1.0 3.0
   54    60   -83    67   0.06250  1.0 1.0
   54    60   -83    67  -0.01100 -1.0 2.0
   54    60   -83    67   0.28050  1.0 3.0
   54    60    70    71   0.15000  1.0 3.0
   54    60    70    84   0.56750  1.0 1.0
   54    60    70    84  -0.07550 -1.0 2.0
   54    60    70    84   0.20000  1.0 3.0
   54    60    70    93   0.56750  1.0 1.0
   54    60    70    93  -0.07550 -1.0 2.0
   54    60    70    93   0.20000  1.0 3.0
   55    54    60    67   0.15000  1.0 3.0
   55    54    60    83   0.23400  1.0 3.0
   55    54    60    70   0.15000  1.0 3.0
   56    54    60    67   0.15000  1.0 3.0
   56    54    60    83   0.23400  1.0 3.0
   56    54    60    70   0.15000  1.0 3.0
   60    70    84    85   0.15000  1.0 3.0
   60    70    84    87   0.34400  1.0 1.0
   60    70    84    87   0.09450 -1.0 2.0
   60    70    84    87   0.11100  1.0 3.0
   60    70    84    89  -0.26800  1.0 1.0
   60    70    84    89   0.69150 -1.0 2.0
   60    70    84    89  -0.48750  1.0 3.0
   60    70    93    90   0.34400  1.0 1.0
   60    70    93    90   0.09450 -1.0 2.0
   60    70    93    90   0.11100  1.0 3.0
   60    70    93    94   0.15000  1.0 3.0
   60    70    93   103   0.47050  1.0 1.0
   60    70    93   103   0.03900 -1.0 2.0
   60    70    93   103   0.20100  1.0 3.0
   67    60    70    71   0.15000  1.0 3.0
   67    60    70    84   0.07850  1.0 1.0
   67    60    70    84  -0.03950 -1.0 2.0
   67    60    70    84   0.67350  1.0 3.0
   67    60    70    93   0.07850  1.0 1.0
   67    60    70    93  -0.03950 -1.0 2.0
   67    60    70    93   0.67350  1.0 3.0
   68    67   -83    60   0.36800  1.0 3.0
   69    67   -83    60   0.36800  1.0 3.0
   83    60   -67    68   0.23400  1.0 3.0
   83    60   -67    69   0.23400  1.0 3.0
   83    60    70    71   0.23400  1.0 3.0
   83    60    70    84   0.02550  1.0 1.0
   83    60    70    84  -0.02600 -1.0 2.0
   83    60    70    84   1.20400  1.0 3.0
   83    60    70    93   0.02550  1.0 1.0
   83    60    70    93  -0.02600 -1.0 2.0
   83    60    70    93   1.20400  1.0 3.0
   70    60    67    68   0.15000  1.0 3.0
   70    60    67    69   0.15000  1.0 3.0
   70    60   -67    83   0.02550  1.0 1.0
   70    60   -67    83  -0.02600 -1.0 2.0
   70    60   -67    83   1.20400  1.0 3.0
   70    60   -83    67   0.06250  1.0 1.0
   70    60   -83    67  -0.01100 -1.0 2.0
   70    60   -83    67   0.28050  1.0 3.0
   70    84    87    88   0.00000  1.0 1.0
   70    84   -87    90   0.09850  1.0 1.0
   70    84   -87    90   0.15250 -1.0 2.0
   70    84   -87    90  -0.50650  1.0 3.0
   70    84    89    91  -0.25900  1.0 1.0
   70    84    89    91  -0.47000 -1.0 2.0
   70    84    89    91   0.11750  1.0 3.0
   70    93   103   104   0.15000  1.0 3.0
   70    93   103    57   0.56750  1.0 1.0
   70    93   103    57  -0.07550 -1.0 2.0
   70    93   103    57   0.20000  1.0 3.0
   70    93   103    86   0.62750  1.0 1.0
   70    93   103    86  -0.30950 -1.0 2.0
   70    93   103    86   0.27300  1.0 3.0
   71    70    84    85   0.15000  1.0 3.0
   71    70    84    87   0.15000  1.0 3.0
   71    70    84    89   0.23400  1.0 3.0
   71    70    93    90   0.15000  1.0 3.0
   71    70    93    94   0.15000  1.0 3.0
   71    70    93   103   0.15000  1.0 3.0
   84    70   -93    90   0.34400  1.0 1.0
   84    70   -93    90   0.09450 -1.0 2.0
   84    70   -93    90   0.11100  1.0 3.0
   84    70    93    94   0.15000  1.0 3.0
   84    70    93   103   0.56750  1.0 1.0
   84    70    93   103  -0.07550 -1.0 2.0
   84    70    93   103   0.20000  1.0 3.0
   84    87   -90    93   7.00000 -1.0 2.0
   84    87    90    95   7.00000 -1.0 2.0
   84    89    91    92   3.00000 -1.0 2.0
   84    89    91    99   1.63150  1.0 1.0
   84    89    91    99   2.92000 -1.0 2.0
   85    84    87    88   0.33100  1.0 3.0
   85    84    87    90   0.00000  1.0 1.0
   85    84    89    91   0.08050  1.0 3.0
   87    84    89    91  -0.82050  1.0 1.0
   87    84    89    91   0.00600 -1.0 2.0
   87    84    89    91   0.04400  1.0 3.0
   87    90   -93    70   0.09850  1.0 1.0
   87    90   -93    70   0.15250 -1.0 2.0
   87    90   -93    70  -0.50650  1.0 3.0
   87    90    93    94   0.00000  1.0 1.0
   87    90    93   103   0.09850  1.0 1.0
   87    90    93   103   0.15250 -1.0 2.0
   87    90    93   103  -0.50650  1.0 3.0
   87    90    95    96   0.00000  1.0 1.0
   87    90    95    97   0.00000  1.0 1.0
   87    90    95    98   0.00000  1.0 1.0
   88    87    90    93   7.00000 -1.0 2.0
   88    87    90    95   7.00000 -1.0 2.0
   90    93   103   104   0.15000  1.0 3.0
   90    93   103    57   0.34400  1.0 1.0
   90    93   103    57   0.09450 -1.0 2.0
   90    93   103    57   0.11100  1.0 3.0
   90    93   103    86   0.61850  1.0 1.0
   90    93   103    86  -0.22750 -1.0 2.0
   90    93   103    86   0.15300  1.0 3.0
   93    70    84    85   0.15000  1.0 3.0
   93    70   -84    87   0.34400  1.0 1.0
   93    70   -84    87   0.09450 -1.0 2.0
   93    70   -84    87   0.11100  1.0 3.0
   93    70    84    89   0.62750  1.0 1.0
   93    70    84    89  -0.30950 -1.0 2.0
   93    70    84    89   0.27300  1.0 3.0
   93    90    95    96   0.34800  1.0 3.0
   93    90    95    97   0.34800  1.0 3.0
   93    90    95    98   0.34800  1.0 3.0
   93   103    57    50   0.56750  1.0 1.0
   93   103    57    50  -0.07550 -1.0 2.0
   93   103    57    50   0.20000  1.0 3.0
   93   103    57    58   0.15000  1.0 3.0
   93   103    57    61   0.34400  1.0 1.0
   93   103    57    61   0.09450 -1.0 2.0
   93   103    57    61   0.11100  1.0 3.0
   93   103    86    72  -0.25900  1.0 1.0
   93   103    86    72  -0.47000 -1.0 2.0
   93   103    86    72   0.11750  1.0 3.0
   94    93   103   104   0.15000  1.0 3.0
   94    93   103    57   0.15000  1.0 3.0
   94    93   103    86   0.23400  1.0 3.0
  103    57   -61    72   0.09700  1.0 1.0
  103    57   -61    72   0.15600 -1.0 2.0
  103    57   -61    72  -0.50800  1.0 3.0
  103    57    61    74   0.09850  1.0 1.0
  103    57    61    74   0.15250 -1.0 2.0
  103    57    61    74  -0.50650  1.0 3.0
  104   103    57    50   0.15000  1.0 3.0
  104   103    57    58   0.15000  1.0 3.0
  104   103    57    61   0.15000  1.0 3.0
  104   103    86    72   0.08050  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    60   0.47050  1.0 1.0
   57    50    54    60   0.03900 -1.0 2.0
   57    50    54    60   0.20100  1.0 3.0
   57   103   -86    72  -0.25900  1.0 1.0
   57   103   -86    72  -0.47000 -1.0 2.0
   57   103   -86    72   0.11750  1.0 3.0
   57    61    72    73  -0.64400  1.0 1.0
   57    61    72    73   0.26850 -1.0 2.0
   57    61   -72    86  -0.15000  1.0 1.0
   57    61   -72    86   0.89550 -1.0 2.0
   57    61   -72    86  -0.06900  1.0 3.0
   57    61    74    75   7.00000 -1.0 2.0
   57    61    74    76   7.00000 -1.0 2.0
   58    57    61    72   0.15000  1.0 3.0
   58    57    61    74   0.00000  1.0 1.0
   61    72   -86   103   2.00000 -1.0 2.0
   72    61    74    75   7.00000 -1.0 2.0
   72    61    74    76   7.00000 -1.0 2.0
   73    72    86   103   3.00000 -1.0 2.0
   86   103    57    50   0.62750  1.0 1.0
   86   103    57    50  -0.30950 -1.0 2.0
   86   103    57    50   0.27300  1.0 3.0
   86   103    57    58   0.23400  1.0 3.0
   86   103   -57    61   0.61850  1.0 1.0
   86   103   -57    61  -0.22750 -1.0 2.0
   86   103   -57    61   0.15300  1.0 3.0
   74    61    72    73   1.00000 -1.0 2.0
   74    61    72    86  -0.56150  1.0 1.0
   74    61    72    86   2.19150 -1.0 2.0
   95    90    93    70   0.46850  1.0 1.0
   95    90    93    70   0.08550 -1.0 2.0
   95    90    93    70   0.09800  1.0 3.0
   95    90    93    94   0.34800  1.0 3.0
   95    90    93   103   0.46850  1.0 1.0
   95    90    93   103   0.08550 -1.0 2.0
   95    90    93   103   0.09800  1.0 3.0
   89    84    87    88   0.00000  1.0 1.0
   89    84    87    90   0.39000  1.0 1.0
   89    84    87    90  -0.05800 -1.0 2.0
   89    84    87    90  -0.55150  1.0 3.0
   89    91    99   100   0.00000  1.0 1.0
   89    91    99   101   0.00000  1.0 1.0
   89    91    99   102   0.00000  1.0 1.0
   92    91    99   100   0.00000  1.0 1.0
   92    91    99   101   0.00000  1.0 1.0
   92    91    99   102   0.00000  1.0 1.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    49    52    53   3.00000 -1.0 2.0
   45    49    52    59   2.00000 -1.0 2.0
   46    45    49    52   0.08050  1.0 3.0
   47    45    49    52   0.08050  1.0 3.0
   49    52    59    62  -0.56150  1.0 1.0
   49    52    59    62   2.19150 -1.0 2.0
   49    52    59    64  -0.15000  1.0 1.0
   49    52    59    64   0.89550 -1.0 2.0
   49    52    59    64  -0.06900  1.0 3.0
   52    59    62    63   7.00000 -1.0 2.0
   52    59    62    77   7.00000 -1.0 2.0
   52    59    64    65   0.15000  1.0 3.0
   52    59    64    66   0.15000  1.0 3.0
   52    59    64    81   0.09700  1.0 1.0
   52    59    64    81   0.15600 -1.0 2.0
   52    59    64    81  -0.50800  1.0 3.0
   53    52    59    62   1.00000 -1.0 2.0
   53    52    59    64  -0.64400  1.0 1.0
   53    52    59    64   0.26850 -1.0 2.0
   59    62    77    78   0.00000  1.0 1.0
   59    62    77    79   0.00000  1.0 1.0
   59    62    77    80   0.00000  1.0 1.0
   59    64    81    82  -0.07800  1.0 1.0
   59    64    81    82  -0.21500 -1.0 2.0
   59    64    81    82  -0.03150  1.0 3.0
   62    59    64    65   0.00000  1.0 1.0
   62    59    64    66   0.00000  1.0 1.0
   62    59    64    81   0.67800  1.0 1.0
   62    59    64    81   0.47050 -1.0 2.0
   62    59    64    81  -0.62500  1.0 3.0
   63    62    77    78   0.33100  1.0 3.0
   63    62    77    79   0.33100  1.0 3.0
   63    62    77    80   0.33100  1.0 3.0
   64    59    62    63   7.00000 -1.0 2.0
   64    59    62    77   7.00000 -1.0 2.0
   65    64    81    82   0.19450  1.0 3.0
   66    64    81    82   0.19450  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
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    45    38    43  15.00000 -1.0 2.0
   44    48    43    38  15.00000 -1.0 2.0
   84    88    87    90   1.10000 -1.0 2.0
   93    95    90    87   1.10000 -1.0 2.0
   57    72    61    74   1.10000 -1.0 2.0
   61    86    72    73  10.50000 -1.0 2.0
   75    76    74    61   1.10000 -1.0 2.0
   89    99    91    92  10.50000 -1.0 2.0
   49    59    52    53  10.50000 -1.0 2.0
   52    64    59    62  15.00000 -1.0 2.0
   77    63    62    59  15.00000 -1.0 2.0
END
