* LIGAND DATABASE FILE (OPLS2005)
*
001     101   104    188    298     559
    1     0 S   NP   _N1_     1    29.19810    98.02919   -22.86797
    2     1 S   H    _HN1     2     1.02789    97.59184   -73.98485
    3     1 S   H    _H1_     3     1.02946    63.45720    32.78180
    4     1 S   H    _H2_     4     1.02830    50.71127   179.10278
    5     1 S   CT   _CA1     5     1.50080   149.50723   118.27102
    6     5 S   HC   _HA1     6     1.09584   105.15251   105.32236
    7     5 S   CO3  _C1_     7     1.53613   112.74469   -14.71103
    8     7 S   O2Z  _O11     8     1.26349   115.17707   -39.16449
    9     7 S   O2Z  _O12     9     1.26291   114.99661   140.24966
   10     5 S   CT   _CB1    10     1.53093   107.45803  -136.83741
   11    10 S   HC   HB11    11     1.09822   109.00804   -51.80508
   12    10 S   HC   HB12    12     1.09810   110.55526    64.70269
   13    10 S   CT   _CG1    13     1.52984   112.69750  -172.97901
   14    13 S   HC   HG11    14     1.09607   110.52224   -70.68482
   15    13 S   HC   HG12    15     1.09691   109.80596    48.47471
   16    13 S   C    _CD1    16     1.51811   112.43755   168.64159
   17    16 S   O    _OE1    17     1.22704   123.38639     5.80056
   18    16 S   N    _N2_    18     1.38554   111.46567  -173.87158
   19    18 S   H    _HN2    19     1.01608   118.82330    -0.76821
   20    18 S   CT1  _CA2    20     1.46216   123.63058   175.45593
   21    20 S   HC   _HA2    21     1.09734   109.51754    -5.63270
   22    20 S   C    _C2_    22     1.53490   108.03556  -120.87527
   23    22 S   O    _O2_    23     1.23024   122.45983  -147.01006
   24    20 S   CT   _CB2    32     1.53108   111.18943   116.89974
   25    24 S   HC   HB21    33     1.09509   109.67626    51.36036
   26    24 S   HC   HB22    34     1.09489   111.01270   169.98068
   27    22 S   N    _N3_    24     1.38392   113.44437    40.50940
   28    27 S   H    _HN3    25     1.01623   119.50429    -3.62531
   29    24 S   S    _SG2    35     1.82869   111.29414   -71.22312
   30    27 S   CT   _CA3    26     1.45279   123.19935   177.00232
   31    30 S   HC   HA31    27     1.09550   107.54612   -63.54538
   32    30 S   HC   HA32    28     1.09556   107.93710    52.87916
   33    29 S   CT   _C25    36     1.85095    99.77131   144.36127
   34    33 S   HC   _H3_    37     1.09773   106.16811    31.15033
   35    30 S   CO3  _C3_    29     1.52952   114.08693   174.84528
   36    35 S   O2Z  _O31    30     1.26374   116.05719    -0.66558
   37    35 S   O2Z  _O32    31     1.26426   114.41609   179.38994
   38    33 S   CA   _C7_    38     1.52403   108.88071   -86.08320
   39    33 S   CT   _C26    69     1.55348   112.45777   147.90853
   40    39 S   HC   _H60    70     1.09698   110.60167    71.42646
   41    38 S   CA   _C4_    39     1.40423   121.71726   -65.85327
   42    41 S   HA   _H38    40     1.08774   120.44249    -1.89165
   43    39 S   C    _C11    71     1.52993   108.69106  -168.61708
   44    43 S   O    _O26    72     1.23027   122.02936    70.72145
   45    39 S   CT   _C24    98     1.53492   114.10610   -49.48629
   46    45 S   HC   _H56    99     1.09575   111.45263   -49.19305
   47    45 S   HC   _H57   100     1.09417   111.60597    72.13868
   48    45 S   HC   _H58   101     1.09626   110.73782  -168.69768
   49    41 S   CA   _C5_    41     1.39992   121.18240   176.93343
   50    49 S   HA   _H39    42     1.08568   117.70552   179.77971
   51    43 S   N    _N24    73     1.38407   113.49275  -109.08460
   52    51 S   H    _H61    74     1.01497   119.11937     3.48594
   53    49 S   CA   _C8_    43     1.39525   120.40719    -0.42290
   54    51 S   CT   _C14    75     1.46735   122.63056  -179.01404
   55    54 S   HC   _H44    76     1.09745   105.98166    28.61930
   56    53 S   CA   _C9_    44     1.39886   118.47797     2.18274
   57    53 S   OS   _O38    49     1.36959   125.25883  -178.27399
   58    54 S   CT   _C18    77     1.53577   111.03766   146.60888
   59    58 S   HC   _H48    78     1.09712   108.97359  -168.23166
   60    38 S   CA   _C6_    45     1.40093   120.03312   112.48515
   61    60 S   HA   _H40    46     1.08725   119.86377     2.34785
   62    56 S   OH   _O30    47     1.37069   118.92809   178.59723
   63    62 S   HO   _H62    48     0.97194   108.78806  -176.59792
   64    57 S   CO   _C22    50     1.43242   117.64430    13.85683
   65    64 S   HC   _H52    51     1.09485   111.29551    38.48501
   66    58 S   CT   _C15    79     1.53790   112.68549    69.54746
   67    66 S   HC   _H45    80     1.09508   110.92446   -78.46040
   68    58 S   OH   _O34    96     1.42899   110.29404   -52.19954
   69    68 S   HO   _H64    97     0.97251   107.60923   -54.41672
   70    64 S   CT   _C21    52     1.52322   109.68100   160.09610
   71    70 S   HC   _H51    53     1.09718   110.88416  -164.46909
   72    66 S   CT   _C16    81     1.51641   113.38342    48.99874
   73    72 S   HC   _H46    82     1.09701   110.90653  -171.01165
   74    70 S   CT   _C17    54     1.51282   101.51527    78.80973
   75    74 S   HC   _H47    55     1.09624   111.24432   -83.15273
   76    70 S   OH   _O37    67     1.41352   113.66641   -41.99256
   77    76 S   HO   _H67    68     0.97661   106.91902   -63.51440
   78    72 S   CT   _C20    83     1.52635   114.81629   -45.27800
   79    78 S   HC   _H50    84     1.09534   109.64961   -73.96478
   80    72 S   OS   _O28    91     1.43425   102.11957    76.11611
   81    74 S   CT   _C13    56     1.52455   101.98881    37.17261
   82    81 S   HC   _H43    57     1.09564   112.86763    96.33448
   83    74 S   OH   _O33    65     1.41986   112.16934   156.68933
   84    83 S   HO   _H63    66     0.97243   108.50970   -51.06791
   85    54 S   CT   _C19    85     1.54086   111.75072   -89.83410
   86    85 S   HC   _H49    86     1.09702   109.75794   171.81600
   87    78 S   OH   _O36    89     1.42795   109.59129   169.27910
   88    87 S   HO   _H66    90     0.97465   107.23504    58.82238
   89    80 S   CO   _C12    92     1.43097   103.68623    36.22907
   90    89 S   HC   _H41    93     1.09381   109.39153  -139.87653
   91    89 S   HC   _H42    94     1.09431   109.54298   100.35432
   92    64 S   OS   _O29    58     1.43897   111.37475   -85.59659
   93    81 S   CO4  _C10    59     1.52223   111.61761  -141.94853
   94    93 S   O    _O25    60     1.23055   122.35678   114.07589
   95    85 S   OH   _O35    87     1.42869   110.57086    54.88156
   96    95 S   HO   _H65    88     0.97278   107.75544    48.32022
   97    66 S   OS   _O27    95     1.43727   108.74436   162.33602
   98    93 S   CT   _C23    61     1.50743   116.85634   -66.39552
   99    98 S   HC   _H53    62     1.09218   109.94280    69.23662
  100    98 S   HC   _H54    63     1.09284   109.66926   -52.15908
  101    98 S   HC   _H55    64     1.09373   109.55243  -171.13964
  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
  17   7   2   1   1  13  12   7   8   4  11   4   4   2   1   1
   7   3  11   4  10  16   8   6  10  14   7   3   1   1   1  12
   6  14   7   4   1  11   7  13   7  11   7   4   1  10   6   6
  10   5   3   1   5   3   2   1   3   2   1   3   5   4   1   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    60    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    49    56    60    61    39    40    43    44    51    45    46    47    48  
   38    41    60    39    40    43    45  
   36    37  
   37  
    0  
   41    42    49    50    53    56    60    61    62    39    40    43    45  
   40    43    44    51    52    54    45    46    47    48    41    60  
   43    44    51    45    46    47    48  
   42    49    50    53    56    60    61    57  
   49    50    53    60  
   44    51    52    54    55    58    85    45    46    47    48  
   51    52    54    45  
   46    47    48    51  
   47    48  
   48  
    0  
   50    53    56    60    62    57    64  
   53    56    57  
   52    54    55    58    59    66    78    85    86    95    68  
   54    55    58    85  
   56    60    61    62    63    57    64    65    70    92  
   55    58    59    66    67    72    78    79    85    86    95    96    87    97    68    69  
   58    59    66    78    85    86    95    68  
   60    61    62    63    57    64  
   64    65    70    71    74    81    92    76    60    62  
   59    66    67    72    73    78    85    86    95    80    89    97    68    69  
   66    67    72    85    97    68    69  
   61    62    63  
   62  
   63  
    0  
   65    70    71    74    75    81    82    92    93    83    76    77  
   70    71    74    81    92    76  
   67    72    73    78    79    85    87    80    89    90    91    97    68    69  
   72    73    78    80    89    97    68  
   69    72    85    97  
    0  
   71    74    75    81    82    92    93    83    84    76    77  
   74    75    81    92    83    76    77  
   73    78    79    85    86    95    87    88    80    89    90    91    97  
   78    79    85    87    80    89    97  
   75    81    82    92    93    94    98    83    84    76    77  
   81    82    92    93    83    84    76  
   77    81    83    92  
    0  
   79    85    86    95    96    87    88    80    89    97  
   85    86    95    87    88    80  
   89    90    91    97    85    87  
   82    92    93    94    98    99   100   101    83    84  
   92    93    94    98    83  
   84    92    93  
    0  
   86    95    96    87    88  
   95    96    87  
   88    95  
    0  
   90    91    97  
   91    97  
   97  
   93    94    98  
   94    98    99   100   101  
   98    99   100   101  
   96  
    0  
    0  
   99   100   101  
  100   101  
  101  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   92   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   93   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    60   469.000  1.400
   41    42   367.000  1.080
   41    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    56   469.000  1.400
   53    57   450.000  1.364
   56    60   469.000  1.400
   56    62   450.000  1.364
   60    61   367.000  1.080
   62    63   553.000  0.945
   57    64   320.000  1.380
   64    65   340.000  1.090
   64    70   250.000  1.527
   64    92   320.000  1.380
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   320.000  1.410
   74    75   340.000  1.090
   74    81   268.000  1.529
   74    83   320.000  1.410
   81    82   340.000  1.090
   81    92   320.000  1.410
   81    93   317.000  1.522
   93    94   570.000  1.229
   93    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   83    84   553.000  0.945
   76    77   553.000  0.945
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    45   268.000  1.529
   43    44   570.000  1.229
   43    51   490.000  1.335
   51    52   434.000  1.010
   51    54   337.000  1.449
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    85   268.000  1.529
   58    59   340.000  1.090
   58    66   268.000  1.529
   58    68   320.000  1.410
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    97   320.000  1.410
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    80   320.000  1.410
   78    79   340.000  1.090
   78    85   268.000  1.529
   78    87   320.000  1.410
   85    86   340.000  1.090
   85    95   320.000  1.410
   95    96   553.000  0.945
   87    88   553.000  0.945
   80    89   320.000  1.380
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    97   320.000  1.380
   68    69   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    63.00000  111.10000
   33    39    45    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    49    63.00000  120.00000
   38    60    56    63.00000  120.00000
   38    60    61    35.00000  120.00000
   41    49    50    35.00000  120.00000
   41    49    53    63.00000  120.00000
   49    41    42    35.00000  120.00000
   49    53    56    63.00000  120.00000
   49    53    57    70.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    60    63.00000  120.00000
   53    56    62    70.00000  120.00000
   53    57    64   100.00000  112.36700
   56    60    61    35.00000  120.00000
   56    62    63    35.00000  113.00000
   60    38    41    63.00000  120.00000
   62    56    60    70.00000  120.00000
   57    53    56    70.00000  120.00000
   57    64    65    35.00000  109.50000
   57    64    70    90.00000  108.56700
   57    64    92    92.60000  111.55000
   64    70    71    45.00000  108.72000
   64    70    74    75.00000  109.43000
   64    70    76    90.00000  111.58700
   64    92    81    60.00000  109.50000
   70    64    65    45.00000  112.01100
   70    74    75    37.50000  110.70000
   70    74    81    58.35000  112.70000
   70    74    83    50.00000  109.50000
   70    76    77    55.00000  108.50000
   74    70    71    37.50000  110.70000
   74    81    82    37.50000  110.70000
   74    81    92    50.00000  109.50000
   74    81    93    63.00000  111.10000
   74    83    84    55.00000  108.50000
   81    74    75    37.50000  110.70000
   81    93    94    80.00000  120.40000
   81    93    98    70.00000  116.00000
   92    64    65    35.00000  109.50000
   92    64    70    90.00000  108.56700
   92    81    82    35.00000  109.50000
   93    81    82    35.00000  109.50000
   93    81    92    90.00000  108.74100
   93    98    99    35.00000  109.50000
   93    98   100    35.00000  109.50000
   93    98   101    35.00000  109.50000
   98    93    94    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   83    74    75    35.00000  109.50000
   83    74    81    50.00000  109.50000
   76    70    71    35.00000  109.50000
   76    70    74    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    51    70.00000  116.60000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    48    37.50000  110.70000
   43    39    40    35.00000  109.50000
   43    51    52    35.00000  119.80000
   43    51    54    50.00000  121.90000
   51    43    44    80.00000  122.90000
   51    54    55    35.00000  109.50000
   51    54    58    70.00000  110.72300
   51    54    85    70.00000  110.72300
   54    51    52    38.00000  118.40000
   54    58    59    37.50000  110.70000
   54    58    66    58.35000  112.70000
   54    58    68    50.00000  109.50000
   54    85    78    58.35000  112.70000
   54    85    86    37.50000  110.70000
   54    85    95    50.00000  109.50000
   58    54    55    37.50000  110.70000
   58    66    67    37.50000  110.70000
   58    66    72    58.35000  112.70000
   58    66    97    50.00000  109.50000
   58    68    69    55.00000  108.50000
   66    58    59    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    78    58.35000  112.70000
   66    72    80    50.00000  109.50000
   66    97    89    60.00000  109.50000
   72    66    67    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    85    58.35000  112.70000
   72    78    87    50.00000  109.50000
   72    80    89    60.00000  109.50000
   78    72    73    37.50000  110.70000
   78    85    86    37.50000  110.70000
   78    85    95    50.00000  109.50000
   78    87    88    55.00000  108.50000
   85    54    55    37.50000  110.70000
   85    54    58    58.35000  112.70000
   85    78    79    37.50000  110.70000
   85    95    96    55.00000  108.50000
   95    85    86    35.00000  109.50000
   87    78    79    35.00000  109.50000
   87    78    85    50.00000  109.50000
   80    72    73    35.00000  109.50000
   80    72    78    50.00000  109.50000
   80    89    90    35.00000  109.50000
   80    89    91    35.00000  109.50000
   80    89    97    92.60000  111.55000
   91    89    90    33.00000  109.50000
   97    66    67    35.00000  109.50000
   97    66    72    50.00000  109.50000
   97    89    90    35.00000  109.50000
   97    89    91    35.00000  109.50000
   68    58    59    35.00000  109.50000
   68    58    66    50.00000  109.50000
   45    39    40    37.50000  110.70000
   45    39    43    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    45   0.44750  1.0 1.0
   29    33    39    45  -0.17800 -1.0 2.0
   29    33    39    45   0.20200  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    49   3.62500 -1.0 2.0
   33    38    60    56   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    51   1.39750  1.0 1.0
   33    39    43    51  -0.07950 -1.0 2.0
   33    39    43    51  -0.18750  1.0 3.0
   33    39    45    46   0.15000  1.0 3.0
   33    39    45    47   0.15000  1.0 3.0
   33    39    45    48   0.15000  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   34    33    39    45   0.15000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    45  -0.03700  1.0 1.0
   38    33    39    45   0.37200 -1.0 2.0
   38    33    39    45  -0.47300  1.0 3.0
   38    41    49    50   3.62500 -1.0 2.0
   38    41    49    53   3.62500 -1.0 2.0
   41    38    60    56   3.62500 -1.0 2.0
   41    38    60    61   3.62500 -1.0 2.0
   41    49   -53    56   3.62500 -1.0 2.0
   41    49    53    57   3.62500 -1.0 2.0
   42    41    49    50   3.62500 -1.0 2.0
   42    41    49    53   3.62500 -1.0 2.0
   49    53    56    60   3.62500 -1.0 2.0
   49    53    56    62   3.62500 -1.0 2.0
   49    53    57    64   1.63200 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   50    49    53    57   3.62500 -1.0 2.0
   53    56   -60    38   3.62500 -1.0 2.0
   53    56    60    61   3.62500 -1.0 2.0
   53    56    62    63   0.84100 -1.0 2.0
   53    57    64    65   0.08050  1.0 3.0
   53    57    64    70  -0.32850  1.0 1.0
   53    57    64    70  -0.35800 -1.0 2.0
   53    57    64    70   0.33950  1.0 3.0
   53    57    64    92  -0.25600  1.0 1.0
   53    57    64    92  -0.40050 -1.0 2.0
   53    57    64    92   0.34700  1.0 3.0
   56    53    57    64   1.63200 -1.0 2.0
   60    38    41    42   3.62500 -1.0 2.0
   60    38   -41    49   3.62500 -1.0 2.0
   60    56    62    63   0.84100 -1.0 2.0
   62    56    60    38   3.62500 -1.0 2.0
   62    56    60    61   3.62500 -1.0 2.0
   57    53    56    60   3.62500 -1.0 2.0
   57    53    56    62   3.62500 -1.0 2.0
   57    64    70    71   0.23400  1.0 3.0
   57    64    70    74   0.62750  1.0 1.0
   57    64    70    74  -0.30950 -1.0 2.0
   57    64    70    74   0.27300  1.0 3.0
   57    64    70    76   3.69350  1.0 1.0
   57    64    70    76  -1.82950 -1.0 2.0
   57    64    92    81  -0.53350  1.0 1.0
   57    64    92    81  -0.78350 -1.0 2.0
   57    64    92    81   0.33750  1.0 3.0
   64    70    74    75   0.15000  1.0 3.0
   64    70   -74    81   3.97050  1.0 1.0
   64    70    74    83   0.86500  1.0 1.0
   64    70    74    83  -0.17500 -1.0 2.0
   64    70    74    83   0.20800  1.0 3.0
   64    70    76    77  -0.11600  1.0 1.0
   64    70    76    77  -0.09450 -1.0 2.0
   64    70    76    77   0.21250  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    74   0.15000  1.0 3.0
   65    64    70    76   0.23400  1.0 3.0
   65    64    92    81   0.37050  1.0 3.0
   70    64   -92    81   0.06250  1.0 1.0
   70    64   -92    81  -0.01100 -1.0 2.0
   70    64   -92    81   0.28050  1.0 3.0
   70    74    81    82   0.15000  1.0 3.0
   70    74   -81    92   0.62750  1.0 1.0
   70    74   -81    92  -0.30950 -1.0 2.0
   70    74   -81    92   0.27300  1.0 3.0
   70    74    81    93  -0.95700  1.0 1.0
   70    74    81    93  -0.18200 -1.0 2.0
   70    74    81    93   0.29450  1.0 3.0
   70    74    83    84  -0.11600  1.0 1.0
   70    74    83    84  -0.09450 -1.0 2.0
   70    74    83    84   0.21250  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    81   0.15000  1.0 3.0
   71    70    74    83   0.23400  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77  -0.11600  1.0 1.0
   74    70    76    77  -0.09450 -1.0 2.0
   74    70    76    77   0.21250  1.0 3.0
   74    81   -92    64   0.06250  1.0 1.0
   74    81   -92    64  -0.01100 -1.0 2.0
   74    81   -92    64   0.28050  1.0 3.0
   74    81    93    94   0.30150 -1.0 2.0
   74    81    93    98   0.60050  1.0 1.0
   74    81    93    98   0.05600 -1.0 2.0
   74    81    93    98   0.26150  1.0 3.0
   75    74    81    82   0.15000  1.0 3.0
   75    74    81    92   0.23400  1.0 3.0
   75    74    81    93  -0.11250  1.0 3.0
   75    74    83    84   0.19450  1.0 3.0
   81    74    83    84  -0.11600  1.0 1.0
   81    74    83    84  -0.09450 -1.0 2.0
   81    74    83    84   0.21250  1.0 3.0
   81    93    98    99   0.00000  1.0 1.0
   81    93    98   100   0.00000  1.0 1.0
   81    93    98   101   0.00000  1.0 1.0
   82    81    92    64   0.37050  1.0 3.0
   82    81    93    94   0.00000  1.0 1.0
   82    81    93    98   0.00000  1.0 1.0
   92    64    70    71   0.23400  1.0 3.0
   92    64   -70    74   0.62750  1.0 1.0
   92    64   -70    74  -0.30950 -1.0 2.0
   92    64   -70    74   0.27300  1.0 3.0
   92    64    70    76   3.69350  1.0 1.0
   92    64    70    76  -1.82950 -1.0 2.0
   92    81    93    94   0.30150 -1.0 2.0
   92    81    93    98   0.55300  1.0 1.0
   92    81    93    98   1.25850 -1.0 2.0
   92    81    93    98  -0.23600  1.0 3.0
   93    81    92    64  -1.11000  1.0 1.0
   93    81    92    64   0.50250 -1.0 2.0
   93    81    92    64   0.47450  1.0 3.0
   94    93    98    99   0.00000  1.0 1.0
   94    93    98   100   0.00000  1.0 1.0
   94    93    98   101   0.00000  1.0 1.0
   83    74    81    82   0.23400  1.0 3.0
   83    74    81    92   3.69350  1.0 1.0
   83    74    81    92  -1.82950 -1.0 2.0
   83    74    81    93  -0.09450  1.0 1.0
   83    74    81    93  -1.12950 -1.0 2.0
   83    74    81    93   0.54000  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    81   0.86500  1.0 1.0
   76    70    74    81  -0.17500 -1.0 2.0
   76    70    74    81   0.20800  1.0 3.0
   76    70    74    83   3.75450  1.0 1.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    60   0.04150 -1.0 2.0
   39    43    51    52   2.45000 -1.0 2.0
   39    43    51    54   1.49850  1.0 1.0
   39    43    51    54   1.53950 -1.0 2.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    51   0.00000  1.0 1.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    48   0.15000  1.0 3.0
   43    39    45    46  -0.11250  1.0 3.0
   43    39    45    47  -0.11250  1.0 3.0
   43    39    45    48  -0.11250  1.0 3.0
   43    51    54    55   0.00000  1.0 1.0
   43    51    54    58  -0.43950  1.0 1.0
   43    51    54    58  -0.08100 -1.0 2.0
   43    51    54    58   0.03350  1.0 3.0
   43    51    54    85  -0.43950  1.0 1.0
   43    51    54    85  -0.08100 -1.0 2.0
   43    51    54    85   0.03350  1.0 3.0
   44    43    51    52   2.45000 -1.0 2.0
   44    43    51    54   3.04450 -1.0 2.0
   51    54    58    59   0.15000  1.0 3.0
   51    54    58    66  -0.27100  1.0 1.0
   51    54    58    66  -0.01700 -1.0 2.0
   51    54    58    66  -0.48600  1.0 3.0
   51    54    58    68   2.76900  1.0 1.0
   51    54    58    68  -0.24350 -1.0 2.0
   51    54    58    68  -0.78250  1.0 3.0
   51    54    85    78  -0.27100  1.0 1.0
   51    54    85    78  -0.01700 -1.0 2.0
   51    54    85    78  -0.48600  1.0 3.0
   51    54    85    86   0.15000  1.0 3.0
   51    54    85    95   2.76900  1.0 1.0
   51    54    85    95  -0.24350 -1.0 2.0
   51    54    85    95  -0.78250  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    58   0.00000  1.0 1.0
   52    51    54    85   0.00000  1.0 1.0
   54    58    66    67   0.15000  1.0 3.0
   54    58    66    72   0.56750  1.0 1.0
   54    58    66    72  -0.07550 -1.0 2.0
   54    58    66    72   0.20000  1.0 3.0
   54    58    66    97   0.62750  1.0 1.0
   54    58    66    97  -0.30950 -1.0 2.0
   54    58    66    97   0.27300  1.0 3.0
   54    58    68    69  -0.11600  1.0 1.0
   54    58    68    69  -0.09450 -1.0 2.0
   54    58    68    69   0.21250  1.0 3.0
   54    85    95    96  -0.11600  1.0 1.0
   54    85    95    96  -0.09450 -1.0 2.0
   54    85    95    96   0.21250  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    66   0.15000  1.0 3.0
   55    54    58    68   0.23400  1.0 3.0
   55    54    85    78   0.15000  1.0 3.0
   55    54    85    86   0.15000  1.0 3.0
   55    54    85    95   0.23400  1.0 3.0
   58    54    85    78   0.56750  1.0 1.0
   58    54    85    78  -0.07550 -1.0 2.0
   58    54    85    78   0.20000  1.0 3.0
   58    54    85    86   0.15000  1.0 3.0
   58    54    85    95   0.86500  1.0 1.0
   58    54    85    95  -0.17500 -1.0 2.0
   58    54    85    95   0.20800  1.0 3.0
   58    66    72    73   0.15000  1.0 3.0
   58    66   -72    78   0.56750  1.0 1.0
   58    66   -72    78  -0.07550 -1.0 2.0
   58    66   -72    78   0.20000  1.0 3.0
   58    66    72    80   0.62750  1.0 1.0
   58    66    72    80  -0.30950 -1.0 2.0
   58    66    72    80   0.27300  1.0 3.0
   58    66    97    89   0.06250  1.0 1.0
   58    66    97    89  -0.01100 -1.0 2.0
   58    66    97    89   0.28050  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    72   0.15000  1.0 3.0
   59    58    66    97   0.23400  1.0 3.0
   59    58    68    69   0.19450  1.0 3.0
   66    58    68    69  -0.11600  1.0 1.0
   66    58    68    69  -0.09450 -1.0 2.0
   66    58    68    69   0.21250  1.0 3.0
   66    72    78    79   0.15000  1.0 3.0
   66    72    78    85   0.56750  1.0 1.0
   66    72    78    85  -0.07550 -1.0 2.0
   66    72    78    85   0.20000  1.0 3.0
   66    72    78    87   0.86500  1.0 1.0
   66    72    78    87  -0.17500 -1.0 2.0
   66    72    78    87   0.20800  1.0 3.0
   66    72   -80    89   0.06250  1.0 1.0
   66    72   -80    89  -0.01100 -1.0 2.0
   66    72   -80    89   0.28050  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    78   0.15000  1.0 3.0
   67    66    72    80   0.23400  1.0 3.0
   67    66    97    89   0.37050  1.0 3.0
   72    66   -97    89   0.06250  1.0 1.0
   72    66   -97    89  -0.01100 -1.0 2.0
   72    66   -97    89   0.28050  1.0 3.0
   72    78   -85    54   0.56750  1.0 1.0
   72    78   -85    54  -0.07550 -1.0 2.0
   72    78   -85    54   0.20000  1.0 3.0
   72    78    85    86   0.15000  1.0 3.0
   72    78    85    95   0.86500  1.0 1.0
   72    78    85    95  -0.17500 -1.0 2.0
   72    78    85    95   0.20800  1.0 3.0
   72    78    87    88  -0.11600  1.0 1.0
   72    78    87    88  -0.09450 -1.0 2.0
   72    78    87    88   0.21250  1.0 3.0
   72    80    89    90   0.37050  1.0 3.0
   72    80    89    91   0.37050  1.0 3.0
   72    80   -89    97  -0.53350  1.0 1.0
   72    80   -89    97  -0.78350 -1.0 2.0
   72    80   -89    97   0.33750  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    85   0.15000  1.0 3.0
   73    72    78    87   0.23400  1.0 3.0
   73    72    80    89   0.37050  1.0 3.0
   78    72    80    89   0.06250  1.0 1.0
   78    72    80    89  -0.01100 -1.0 2.0
   78    72    80    89   0.28050  1.0 3.0
   78    85    95    96  -0.11600  1.0 1.0
   78    85    95    96  -0.09450 -1.0 2.0
   78    85    95    96   0.21250  1.0 3.0
   79    78    85    54   0.15000  1.0 3.0
   79    78    85    86   0.15000  1.0 3.0
   79    78    85    95   0.23400  1.0 3.0
   79    78    87    88   0.19450  1.0 3.0
   85    54    58    59   0.15000  1.0 3.0
   85    54   -58    66   0.56750  1.0 1.0
   85    54   -58    66  -0.07550 -1.0 2.0
   85    54   -58    66   0.20000  1.0 3.0
   85    54    58    68   0.86500  1.0 1.0
   85    54    58    68  -0.17500 -1.0 2.0
   85    54    58    68   0.20800  1.0 3.0
   85    78    87    88  -0.11600  1.0 1.0
   85    78    87    88  -0.09450 -1.0 2.0
   85    78    87    88   0.21250  1.0 3.0
   86    85    95    96   0.19450  1.0 3.0
   87    78    85    54   0.86500  1.0 1.0
   87    78    85    54  -0.17500 -1.0 2.0
   87    78    85    54   0.20800  1.0 3.0
   87    78    85    86   0.23400  1.0 3.0
   87    78    85    95   3.75450  1.0 1.0
   80    72    78    79   0.23400  1.0 3.0
   80    72    78    85   0.62750  1.0 1.0
   80    72    78    85  -0.30950 -1.0 2.0
   80    72    78    85   0.27300  1.0 3.0
   80    72    78    87   3.69350  1.0 1.0
   80    72    78    87  -1.82950 -1.0 2.0
   80    89   -97    66  -0.53350  1.0 1.0
   80    89   -97    66  -0.78350 -1.0 2.0
   80    89   -97    66   0.33750  1.0 3.0
   90    89    97    66   0.37050  1.0 3.0
   91    89    97    66   0.37050  1.0 3.0
   97    66    72    73   0.23400  1.0 3.0
   97    66    72    78   0.62750  1.0 1.0
   97    66    72    78  -0.30950 -1.0 2.0
   97    66    72    78   0.27300  1.0 3.0
   97    66   -72    80   1.11900  1.0 1.0
   97    66   -72    80  -1.16350 -1.0 2.0
   97    66   -72    80  -0.34150  1.0 3.0
   68    58    66    67   0.23400  1.0 3.0
   68    58    66    72   0.86500  1.0 1.0
   68    58    66    72  -0.17500 -1.0 2.0
   68    58    66    72   0.20800  1.0 3.0
   68    58    66    97   3.69350  1.0 1.0
   68    58    66    97  -1.82950 -1.0 2.0
   45    39    43    44   0.30150 -1.0 2.0
   45    39    43    51   1.39750  1.0 1.0
   45    39    43    51  -0.07950 -1.0 2.0
   45    39    43    51  -0.18750  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
   41    60    38    33   4.00000 -1.0 2.0
   49    42    41    38   1.10000 -1.0 2.0
   53    50    49    41   1.10000 -1.0 2.0
   56    57    53    49   4.00000 -1.0 2.0
   60    62    56    53   4.00000 -1.0 2.0
   56    61    60    38   1.10000 -1.0 2.0
   81    98    93    94  10.50000 -1.0 2.0
   39    51    43    44  10.50000 -1.0 2.0
   52    43    51    54   1.00000 -1.0 2.0
END
