* LIGAND DATABASE FILE (OPLS2005)
*
001     104   106    196    308     580
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02042    86.39772    46.05624
    3     1 S   H    _H1_     3     1.02143    33.40674   178.77475
    4     1 S   H    _H2_     4     1.02070    93.85621   -62.46850
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C21    36     1.84914    97.93591  -158.14217
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C17    37     1.52666   109.22740   179.95154
   38    37 S   HC   _H48    38     1.10032   113.23078    31.10674
   39    37 S   HC   _H49    39     1.09909   113.58727   154.42448
   40    33 S   CT   _C23   101     1.52633   107.68583   -57.82593
   41    40 S   HC   _H56   102     1.08569   109.42536    59.66430
   42    40 S   HC   _H57   103     1.08649   109.35950   -60.29205
   43    40 S   HC   _H58   104     1.08576   109.37680   179.72305
   44    37 S   N    _N25    40     1.45381   105.12916   -84.65152
   45    44 S   C    _C10    41     1.42162   110.47312   -19.34327
   46    45 S   O    _O29    42     1.22347   128.09668  -178.78679
   47    44 S   C    _C11    52     1.41581   119.78143   162.96612
   48    47 S   O    _O30    53     1.23362   122.95263    -2.77354
   49    33 S   CT   _C18    43     1.54423   109.01983    68.35053
   50    49 S   HC   _H50    44     1.07076   112.80035   -30.22985
   51    47 S   N    _N26    54     1.39006   113.87667   176.86962
   52    51 S   H    _H68    55     1.01670   119.40549    -2.37833
   53    49 S   CT   _C26    45     1.52673   115.29453  -157.22286
   54    53 S   HC   _H64    46     1.09515   109.41317   -50.11175
   55    53 S   HC   _H65    47     1.09481   109.39655    67.33114
   56    51 S   CT   _C27    56     1.44416   122.69838  -179.68596
   57    56 S   HC   _H66    57     1.09457   106.76345   149.31595
   58    56 S   HC   _H67    58     1.09466   107.58172    33.39793
   59    53 S   CT   _C24    48     1.49607   111.91632  -171.38662
   60    59 S   HC   _H59    49     1.09619   109.78351   -58.67037
   61    59 S   HC   _H60    50     1.09465   110.86694  -178.00600
   62    59 S   HC   _H61    51     1.09531   110.77714    60.54459
   63    56 S   CT   _C25    59     1.52653   112.55353   -89.99536
   64    63 S   HC   _H62    60     1.09817   109.27809  -177.97281
   65    63 S   HC   _H63    61     1.09756   110.10608   -61.99442
   66    63 S   CA   _C8_    62     1.50875   112.97670    61.17558
   67    66 S   CA   _C4_    63     1.39536   119.95429   -90.00986
   68    67 S   HA   _H36    64     1.08660   120.52209    -0.02798
   69    67 S   CA   _C6_    65     1.39487   119.96268  -179.96044
   70    69 S   HA   _H38    66     1.08690   119.34976   179.97202
   71    69 S   CA   _C9_    67     1.39465   120.04287    -0.07402
   72    71 S   CA   _C7_    68     1.39536   119.99441     0.07402
   73    72 S   HA   _H39    69     1.08667   120.61487   179.91377
   74    71 S   SY   _S35    72     1.74520   120.02617  -179.90721
   75    74 S   OY   _O34    73     1.45680   108.95966  -155.20442
   76    74 S   OY   _O35    74     1.45730   107.67167   -24.20491
   77    66 S   CA   _C5_    70     1.39509   120.01327    89.99953
   78    77 S   HA   _H37    71     1.08575   120.53152    -0.01978
   79    74 S   NS   _N28    75     1.71335   101.74758    89.97433
   80    79 S   H    _H70    76     1.02787   117.12162   100.00147
   81    79 S   C    _C12    77     1.43112   125.18212   -82.94699
   82    81 S   O    _O33    78     1.22790   122.85140     2.85403
   83    81 S   N    _N27    79     1.38248   112.64133  -176.94354
   84    83 S   H    _H69    80     1.01516   118.57545    -0.17246
   85    83 S   CT   _C20    81     1.44542   122.83863   179.88297
   86    85 S   HC   _H52    82     1.09876   105.02920    29.95650
   87    85 S   CT   _C15    83     1.53151   111.30072   -87.75181
   88    87 S   HC   _H44    84     1.09807   108.68808   166.38006
   89    87 S   HC   _H45    85     1.09739   110.48884    49.71031
   90    87 S   CT   _C13    86     1.52941   112.90744   -73.12402
   91    90 S   HC   _H40    87     1.09698   109.31852    68.68603
   92    90 S   HC   _H41    88     1.09651   109.07612  -175.07272
   93    90 S   CT   _C19    89     1.53346   111.79677   -53.31245
   94    93 S   HC   _H51    90     1.09773   108.39040   -64.16326
   95    93 S   CT   _C14    91     1.53399   110.89555    54.62270
   96    95 S   HC   _H42    92     1.09711   109.79708  -176.21478
   97    95 S   HC   _H43    93     1.09740   110.06308    66.71343
   98    93 S   CT   _C22    97     1.52751   110.66988   177.77701
   99    98 S   HC   _H53    98     1.08866   109.79503   -61.61071
  100    98 S   HC   _H54    99     1.08842   109.85422   178.33164
  101    98 S   HC   _H55   100     1.08926   109.75946    58.31382
  102    85 S   CT   _C16    94     1.53097   110.93630   147.36334
  103   102 S   HC   _H46    95     1.09692   110.46998   -49.65055
  104   102 S   HC   _H47    96     1.09711   108.82696  -166.54169
  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  13   5   4   3
  17   2   1   1  15   6   5   8   3   2   1  10  10   4   8   3
   8   4   8   4   6   5   4   8   5   4   3   2   1   1   9   4
   3   9   8   4   9   3  10   7   3   8   4   3   1   1   6   3
   7   3  11   4  14   8  12   6   5  12   5   4  11   8   9   5
   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    45    49    50    53    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    49    50    53    54    55    59    47    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    49    50    53    47    48    51    40    41    42    43  
   39    44    45    49    47    40  
   44    45    49    47    40  
   41    42    43    44    45    49    50    53  
   42    43    49  
   43    49  
   49  
   45    46    49    50    53    47    48    51    52    56  
   46    49    50    53    54    55    59    47    48    51  
   49    50    53    47  
   48    51    52    56    57    58    63    49  
   51    52    56  
   50    53    54    55    59    60    61    62  
   53    54    55    59  
   52    56    57    58    63    64    65    66  
   56    57    58    63  
   54    55    59    60    61    62  
   55    59    60    61    62  
   59    60    61    62  
   57    58    63    64    65    66    67    77  
   58    63    64    65    66  
   63    64    65    66  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68    69    72    77    78  
   65    66    67    77  
   66    67    77  
   67    68    69    70    71    72    73    77    78  
   68    69    70    71    72    77    78    74  
   69    70    71    77  
   70    71    72    73    77    74    75    76    79  
   71    72    74  
   72    73    77    78    74    75    76    79    80    81  
   73    77    78    74    75    76    79  
   77    78    74  
   75    76    79    80    81    82    83    77  
   76    79    80    81  
   79    80    81  
   78  
    0  
   80    81    82    83    84    85  
   81    82    83  
   82    83    84    85    86    87   102  
   83    84    85  
   84    85    86    87    88    89    90    95   102   103   104  
   85    86    87   102  
   86    87    88    89    90    91    92    93    95    96    97   102   103   104  
   87    88    89    90    95   102   103   104  
   88    89    90    91    92    93    94    95   102   103   104    98  
   89    90    91    92    93   102  
   90    91    92    93   102  
   91    92    93    94    95    96    97   102    98    99   100   101  
   92    93    94    95    98  
   93    94    95    98  
   94    95    96    97   102   103   104    98    99   100   101  
   95    96    97   102    98    99   100   101  
   96    97   102   103   104    98    99   100   101  
   97   102   103   104    98  
  102   103   104    98  
   99   100   101   102  
  100   101  
  101  
    0  
  103   104  
  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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.070300   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.2500   0.1700  -0.294700   1.8100   1.6000   0.054801302  -1.445846770
   45   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.7500   0.1050   0.753000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.565700   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.032000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   75   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   76   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.2500   0.1700  -0.533100   1.8100   1.6000   0.054801302  -1.445846770
   80   0.5000   0.0300   0.357200   1.5900   1.4000   0.030040813  -0.651083722
   81   3.7500   0.1050   0.813700   1.9250   1.7000   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   83   3.2500   0.1700  -0.518100   1.8100   1.6000   0.054801302  -1.445846770
   84   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   85   3.5000   0.0660   0.092000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.060000   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  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    49   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   337.000  1.449
   44    45   490.000  1.335
   44    47   490.000  1.335
   45    46   570.000  1.229
   45    49   317.000  1.522
   49    50   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   47    48   570.000  1.229
   47    51   490.000  1.335
   51    52   434.000  1.010
   51    56   337.000  1.449
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   317.000  1.510
   66    67   469.000  1.400
   66    77   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    74   225.000  1.779
   72    73   367.000  1.080
   72    77   469.000  1.400
   77    78   367.000  1.080
   74    75   735.000  1.471
   74    76   735.000  1.471
   74    79   245.000  1.722
   79    80   500.000  1.020
   79    81   410.000  1.392
   81    82   570.000  1.229
   81    83   490.000  1.335
   83    84   434.000  1.010
   83    85   337.000  1.449
   85    86   340.000  1.090
   85    87   268.000  1.529
   85   102   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   340.000  1.090
   93    95   268.000  1.529
   93    98   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    49    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    70.00000  110.72300
   33    49    45    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    53    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    50.00000  121.90000
   37    44    47    50.00000  121.90000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    45    46    80.00000  122.90000
   44    45    49    70.00000  116.60000
   44    47    48    80.00000  122.90000
   44    47    51    90.00000  111.91700
   45    49    50    35.00000  109.50000
   45    49    53    63.00000  111.10000
   49    33    37    58.35000  112.70000
   49    45    46    80.00000  120.40000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    59    58.35000  112.70000
   53    49    50    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   55    53    54    33.00000  107.80000
   59    53    54    37.50000  110.70000
   59    53    55    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   47    44    45    70.00000  121.37400
   47    51    52    35.00000  119.80000
   47    51    56    50.00000  121.90000
   51    47    48    80.00000  122.90000
   51    56    57    35.00000  109.50000
   51    56    58    35.00000  109.50000
   51    56    63    70.00000  110.72300
   56    51    52    38.00000  118.40000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    70.00000  112.17500
   58    56    57    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    58    37.50000  110.70000
   63    66    67    70.00000  120.00000
   63    66    77    70.00000  120.00000
   65    63    64    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   66    77    72    63.00000  120.00000
   66    77    78    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    74    65.00000  117.06700
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    77    63.00000  120.00000
   71    74    75   100.00000  107.67100
   71    74    76   100.00000  107.67100
   71    74    79    95.00000  101.59200
   72    77    78    35.00000  120.00000
   77    66    67    63.00000  120.00000
   77    72    73    35.00000  120.00000
   74    71    72    65.00000  117.06700
   74    79    80    50.00000  110.93800
   74    79    81    75.00000  121.06100
   76    74    75   115.00000  120.17200
   79    74    75   115.00000  107.22500
   79    74    76   115.00000  107.22500
   79    81    82    90.00000  121.01300
   79    81    83    80.00000  114.00000
   81    79    80    45.00000  118.75000
   81    83    84    35.00000  119.80000
   81    83    85    50.00000  121.90000
   83    81    82    80.00000  122.90000
   83    85    86    35.00000  109.50000
   83    85    87    70.00000  110.72300
   83    85   102    70.00000  110.72300
   85    83    84    38.00000  118.40000
   85    87    88    37.50000  110.70000
   85    87    89    37.50000  110.70000
   85    87    90    58.35000  112.70000
   85   102    95    58.35000  112.70000
   85   102   103    37.50000  110.70000
   85   102   104    37.50000  110.70000
   87    85    86    37.50000  110.70000
   87    90    91    37.50000  110.70000
   87    90    92    37.50000  110.70000
   87    90    93    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    37.50000  110.70000
   90    87    89    37.50000  110.70000
   90    93    94    37.50000  110.70000
   90    93    95    58.35000  112.70000
   90    93    98    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   93    95    96    37.50000  110.70000
   93    95    97    37.50000  110.70000
   93    95   102    58.35000  112.70000
   93    98    99    37.50000  110.70000
   93    98   100    37.50000  110.70000
   93    98   101    37.50000  110.70000
   95    93    94    37.50000  110.70000
   95   102   103    37.50000  110.70000
   95   102   104    37.50000  110.70000
   97    95    96    33.00000  107.80000
  102    85    86    37.50000  110.70000
  102    85    87    58.35000  112.70000
  102    95    96    37.50000  110.70000
  102    95    97    37.50000  110.70000
  104   102   103    33.00000  107.80000
   98    93    94    37.50000  110.70000
   98    93    95    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    49    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    49    45   0.56750  1.0 1.0
   29    33    49    45  -0.07550 -1.0 2.0
   29    33    49    45   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    53   0.44750  1.0 1.0
   29    33    49    53  -0.17800 -1.0 2.0
   29    33    49    53   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37   -44    45  -0.43950  1.0 1.0
   33    37   -44    45  -0.08100 -1.0 2.0
   33    37   -44    45   0.03350  1.0 3.0
   33    37    44    47  -0.43950  1.0 1.0
   33    37    44    47  -0.08100 -1.0 2.0
   33    37    44    47   0.03350  1.0 3.0
   33    49    53    54   0.15000  1.0 3.0
   33    49    53    55   0.15000  1.0 3.0
   33    49    53    59   0.56750  1.0 1.0
   33    49    53    59  -0.07550 -1.0 2.0
   33    49    53    59   0.20000  1.0 3.0
   37    33   -49    45  -0.95700  1.0 1.0
   37    33   -49    45  -0.18200 -1.0 2.0
   37    33   -49    45   0.29450  1.0 3.0
   37    33    49    50   0.15000  1.0 3.0
   37    33    49    53   0.56750  1.0 1.0
   37    33    49    53  -0.07550 -1.0 2.0
   37    33    49    53   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    45    46   3.04450 -1.0 2.0
   37    44   -45    49   1.49850  1.0 1.0
   37    44   -45    49   1.53950 -1.0 2.0
   37    44    47    48   3.04450 -1.0 2.0
   37    44    47    51   4.56800  1.0 1.0
   37    44    47    51   0.31650 -1.0 2.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    47   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    47   0.00000  1.0 1.0
   44    45   -49    33   1.39750  1.0 1.0
   44    45   -49    33  -0.07950 -1.0 2.0
   44    45   -49    33  -0.18750  1.0 3.0
   44    45    49    50   0.00000  1.0 1.0
   44    45    49    53   1.39750  1.0 1.0
   44    45    49    53  -0.07950 -1.0 2.0
   44    45    49    53  -0.18750  1.0 3.0
   44    47    51    52   2.56700 -1.0 2.0
   44    47    51    56   4.56800  1.0 1.0
   44    47    51    56   0.31650 -1.0 2.0
   45    44    47    48   2.22250 -1.0 2.0
   45    44    47    51   3.00000 -1.0 2.0
   45    49    53    54  -0.11250  1.0 3.0
   45    49    53    55  -0.11250  1.0 3.0
   45    49    53    59  -0.95700  1.0 1.0
   45    49    53    59  -0.18200 -1.0 2.0
   45    49    53    59   0.29450  1.0 3.0
   46    45    49    33   0.30150 -1.0 2.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    53   0.30150 -1.0 2.0
   49    33    37    38   0.15000  1.0 3.0
   49    33    37    39   0.15000  1.0 3.0
   49    33   -37    44   0.43900  1.0 1.0
   49    33   -37    44   0.49100 -1.0 2.0
   49    33   -37    44   0.28400  1.0 3.0
   49    33    40    41   0.15000  1.0 3.0
   49    33    40    42   0.15000  1.0 3.0
   49    33    40    43   0.15000  1.0 3.0
   49    53    59    60   0.15000  1.0 3.0
   49    53    59    61   0.15000  1.0 3.0
   49    53    59    62   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    59   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   55    53    59    60   0.15000  1.0 3.0
   55    53    59    61   0.15000  1.0 3.0
   55    53    59    62   0.15000  1.0 3.0
   47    44    45    46   2.22250 -1.0 2.0
   47    44    45    49   2.45000 -1.0 2.0
   47    51    56    57   0.00000  1.0 1.0
   47    51    56    58   0.00000  1.0 1.0
   47    51    56    63  -0.43950  1.0 1.0
   47    51    56    63  -0.08100 -1.0 2.0
   47    51    56    63   0.03350  1.0 3.0
   48    47    51    52   2.45000 -1.0 2.0
   48    47    51    56   3.04450 -1.0 2.0
   51    56    63    64   0.15000  1.0 3.0
   51    56    63    65   0.15000  1.0 3.0
   51    56    63    66   0.08550  1.0 1.0
   51    56    63    66   1.07500 -1.0 2.0
   51    56    63    66  -0.10950  1.0 3.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    58   0.00000  1.0 1.0
   52    51    56    63   0.00000  1.0 1.0
   56    63    66    67   0.04150 -1.0 2.0
   56    63    66    77   0.04150 -1.0 2.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.43200  1.0 3.0
   58    56    63    64   0.15000  1.0 3.0
   58    56    63    65   0.15000  1.0 3.0
   58    56    63    66   0.43200  1.0 3.0
   63    66    67    68   3.62500 -1.0 2.0
   63    66    67    69   3.62500 -1.0 2.0
   63    66    77    72   3.62500 -1.0 2.0
   63    66    77    78   3.62500 -1.0 2.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    77   0.00000  1.0 1.0
   65    63    66    67   0.00000  1.0 1.0
   65    63    66    77   0.00000  1.0 1.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    71   3.62500 -1.0 2.0
   67    66    77    72   3.62500 -1.0 2.0
   67    66    77    78   3.62500 -1.0 2.0
   67    69   -71    72   3.62500 -1.0 2.0
   67    69    71    74   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    72    77   3.62500 -1.0 2.0
   69    71    74    75   0.19500  1.0 1.0
   69    71    74    75   0.12000 -1.0 2.0
   69    71    74    76   0.19500  1.0 1.0
   69    71    74    76   0.12000 -1.0 2.0
   69    71    74    79  -0.49050  1.0 1.0
   69    71    74    79   0.22250 -1.0 2.0
   69    71    74    79  -0.39350  1.0 3.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   71    72   -77    66   3.62500 -1.0 2.0
   71    72    77    78   3.62500 -1.0 2.0
   71    74    79    80   1.01100  1.0 1.0
   71    74    79    80  -0.22250 -1.0 2.0
   71    74    79    80   1.33750  1.0 3.0
   71    74    79    81  -0.64500  1.0 1.0
   71    74    79    81  -1.19050 -1.0 2.0
   71    74    79    81  -0.04400  1.0 3.0
   72    71    74    75   0.19500  1.0 1.0
   72    71    74    75   0.12000 -1.0 2.0
   72    71    74    76   0.19500  1.0 1.0
   72    71    74    76   0.12000 -1.0 2.0
   72    71    74    79  -0.49050  1.0 1.0
   72    71    74    79   0.22250 -1.0 2.0
   72    71    74    79  -0.39350  1.0 3.0
   73    72    77    66   3.62500 -1.0 2.0
   73    72    77    78   3.62500 -1.0 2.0
   77    66    67    68   3.62500 -1.0 2.0
   77    66   -67    69   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    77   3.62500 -1.0 2.0
   74    79    81    82   2.45000 -1.0 2.0
   74    79    81    83   1.82050  1.0 1.0
   75    74    79    80   1.12100  1.0 1.0
   75    74    79    80   0.54800 -1.0 2.0
   75    74    79    80  -0.29400  1.0 3.0
   75    74    79    81   0.64800  1.0 1.0
   75    74    79    81   0.05750 -1.0 2.0
   75    74    79    81   0.28250  1.0 3.0
   76    74    79    80   1.12100  1.0 1.0
   76    74    79    80   0.54800 -1.0 2.0
   76    74    79    80  -0.29400  1.0 3.0
   76    74    79    81   0.64800  1.0 1.0
   76    74    79    81   0.05750 -1.0 2.0
   76    74    79    81   0.28250  1.0 3.0
   79    81    83    84   2.56700 -1.0 2.0
   79    81    83    85   2.45000 -1.0 2.0
   80    79    81    82   1.00000 -1.0 2.0
   80    79    81    83   2.45000 -1.0 2.0
   81    83    85    86   0.00000  1.0 1.0
   81    83    85    87  -0.43950  1.0 1.0
   81    83    85    87  -0.08100 -1.0 2.0
   81    83    85    87   0.03350  1.0 3.0
   81    83    85   102  -0.43950  1.0 1.0
   81    83    85   102  -0.08100 -1.0 2.0
   81    83    85   102   0.03350  1.0 3.0
   82    81    83    84   2.45000 -1.0 2.0
   82    81    83    85   3.04450 -1.0 2.0
   83    85    87    88   0.15000  1.0 3.0
   83    85    87    89   0.15000  1.0 3.0
   83    85    87    90  -0.27100  1.0 1.0
   83    85    87    90  -0.01700 -1.0 2.0
   83    85    87    90  -0.48600  1.0 3.0
   83    85   102    95  -0.27100  1.0 1.0
   83    85   102    95  -0.01700 -1.0 2.0
   83    85   102    95  -0.48600  1.0 3.0
   83    85   102   103   0.15000  1.0 3.0
   83    85   102   104   0.15000  1.0 3.0
   84    83    85    86   0.00000  1.0 1.0
   84    83    85    87   0.00000  1.0 1.0
   84    83    85   102   0.00000  1.0 1.0
   85    87    90    91   0.15000  1.0 3.0
   85    87    90    92   0.15000  1.0 3.0
   85    87    90    93   0.56750  1.0 1.0
   85    87    90    93  -0.07550 -1.0 2.0
   85    87    90    93   0.20000  1.0 3.0
   86    85    87    88   0.15000  1.0 3.0
   86    85    87    89   0.15000  1.0 3.0
   86    85    87    90   0.15000  1.0 3.0
   86    85   102    95   0.15000  1.0 3.0
   86    85   102   103   0.15000  1.0 3.0
   86    85   102   104   0.15000  1.0 3.0
   87    85   102    95   0.56750  1.0 1.0
   87    85   102    95  -0.07550 -1.0 2.0
   87    85   102    95   0.20000  1.0 3.0
   87    85   102   103   0.15000  1.0 3.0
   87    85   102   104   0.15000  1.0 3.0
   87    90    93    94   0.15000  1.0 3.0
   87    90   -93    95   0.56750  1.0 1.0
   87    90   -93    95  -0.07550 -1.0 2.0
   87    90   -93    95   0.20000  1.0 3.0
   87    90    93    98   0.56750  1.0 1.0
   87    90    93    98  -0.07550 -1.0 2.0
   87    90    93    98   0.20000  1.0 3.0
   88    87    90    91   0.15000  1.0 3.0
   88    87    90    92   0.15000  1.0 3.0
   88    87    90    93   0.15000  1.0 3.0
   89    87    90    91   0.15000  1.0 3.0
   89    87    90    92   0.15000  1.0 3.0
   89    87    90    93   0.15000  1.0 3.0
   90    93    95    96   0.15000  1.0 3.0
   90    93    95    97   0.15000  1.0 3.0
   90    93    95   102   0.56750  1.0 1.0
   90    93    95   102  -0.07550 -1.0 2.0
   90    93    95   102   0.20000  1.0 3.0
   90    93    98    99   0.15000  1.0 3.0
   90    93    98   100   0.15000  1.0 3.0
   90    93    98   101   0.15000  1.0 3.0
   91    90    93    94   0.15000  1.0 3.0
   91    90    93    95   0.15000  1.0 3.0
   91    90    93    98   0.15000  1.0 3.0
   92    90    93    94   0.15000  1.0 3.0
   92    90    93    95   0.15000  1.0 3.0
   92    90    93    98   0.15000  1.0 3.0
   93    95  -102    85   0.56750  1.0 1.0
   93    95  -102    85  -0.07550 -1.0 2.0
   93    95  -102    85   0.20000  1.0 3.0
   93    95   102   103   0.15000  1.0 3.0
   93    95   102   104   0.15000  1.0 3.0
   94    93    95    96   0.15000  1.0 3.0
   94    93    95    97   0.15000  1.0 3.0
   94    93    95   102   0.15000  1.0 3.0
   94    93    98    99   0.15000  1.0 3.0
   94    93    98   100   0.15000  1.0 3.0
   94    93    98   101   0.15000  1.0 3.0
   95    93    98    99   0.15000  1.0 3.0
   95    93    98   100   0.15000  1.0 3.0
   95    93    98   101   0.15000  1.0 3.0
   96    95   102    85   0.15000  1.0 3.0
   96    95   102   103   0.15000  1.0 3.0
   96    95   102   104   0.15000  1.0 3.0
   97    95   102    85   0.15000  1.0 3.0
   97    95   102   103   0.15000  1.0 3.0
   97    95   102   104   0.15000  1.0 3.0
  102    85    87    88   0.15000  1.0 3.0
  102    85    87    89   0.15000  1.0 3.0
  102    85   -87    90   0.56750  1.0 1.0
  102    85   -87    90  -0.07550 -1.0 2.0
  102    85   -87    90   0.20000  1.0 3.0
   98    93    95    96   0.15000  1.0 3.0
   98    93    95    97   0.15000  1.0 3.0
   98    93    95   102   0.56750  1.0 1.0
   98    93    95   102  -0.07550 -1.0 2.0
   98    93    95   102   0.20000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.43900  1.0 1.0
   40    33    37    44   0.49100 -1.0 2.0
   40    33    37    44   0.28400  1.0 3.0
   40    33    49    45  -0.95700  1.0 1.0
   40    33    49    45  -0.18200 -1.0 2.0
   40    33    49    45   0.29450  1.0 3.0
   40    33    49    50   0.15000  1.0 3.0
   40    33    49    53   0.56750  1.0 1.0
   40    33    49    53  -0.07550 -1.0 2.0
   40    33    49    53   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
   47    45    44    37   1.00000 -1.0 2.0
   44    49    45    46  10.50000 -1.0 2.0
   44    51    47    48  10.50000 -1.0 2.0
   52    47    51    56   1.00000 -1.0 2.0
   67    77    66    63   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    74    71    69   4.00000 -1.0 2.0
   77    73    72    71   1.10000 -1.0 2.0
   72    78    77    66   1.10000 -1.0 2.0
   80    74    79    81   1.00000 -1.0 2.0
   79    83    81    82  10.50000 -1.0 2.0
   84    81    83    85   1.00000 -1.0 2.0
END
