* LIGAND DATABASE FILE (OPLS2005)
*
001     105   107    195    280     557
    1     0 S   NP   _N1_     1    29.21241    95.47464   -26.60518
    2     1 S   H    _HN1     2     1.02958    77.55419     4.34569
    3     1 S   H    _H1_     3     1.02837    30.41636  -161.46383
    4     1 S   H    _H2_     4     1.02779   125.47437   -99.43117
    5     1 S   CT   _CA1     5     1.50135   115.80357   111.19605
    6     5 S   HC   _HA1     6     1.09576   105.20443    91.91900
    7     5 S   CO3  _C1_     7     1.53766   112.31235   -28.25471
    8     7 S   O2Z  _O11     8     1.26364   114.99572   -45.19135
    9     7 S   O2Z  _O12     9     1.26229   114.91908   133.80484
   10     5 S   CT   _CB1    10     1.53081   107.40894  -150.21623
   11    10 S   HC   HB11    11     1.09831   109.29256   -50.57294
   12    10 S   HC   HB12    12     1.09815   110.45630    65.96188
   13    10 S   CT   _CG1    13     1.53036   112.69531  -171.62722
   14    13 S   HC   HG11    14     1.09591   110.53670   -65.15966
   15    13 S   HC   HG12    15     1.09658   109.88880    54.06791
   16    13 S   C    _CD1    16     1.51841   112.20903   174.40949
   17    16 S   O    _OE1    17     1.22771   123.23207     2.61164
   18    16 S   N    _N2_    18     1.38592   111.80108  -177.48705
   19    18 S   H    _HN2    19     1.01568   119.07385     4.10713
   20    18 S   CT1  _CA2    20     1.45730   122.69874   176.99600
   21    20 S   HC   _HA2    21     1.09478   108.61134    22.71110
   22    20 S   C    _C2_    22     1.52956   107.46387   -93.84019
   23    22 S   O    _O2_    23     1.22925   122.90453   -25.96660
   24    20 S   CT   _CB2    32     1.52889   112.36884   145.36042
   25    24 S   HC   HB21    33     1.09589   110.56102    49.92187
   26    24 S   HC   HB22    34     1.09332   110.27149   168.96149
   27    22 S   N    _N3_    24     1.38646   112.29602   156.39344
   28    27 S   H    _HN3    25     1.01565   119.55335    -3.66298
   29    24 S   S    _SG2    35     1.82425   110.91579   -70.81023
   30    27 S   CT   _CA3    26     1.45507   123.42358  -177.93768
   31    30 S   HC   HA31    27     1.09455   107.08687  -134.62470
   32    30 S   HC   HA32    28     1.09495   109.49848   -17.48864
   33    29 S   CT   _C22    36     1.82757    98.70564  -174.17079
   34    33 S   HC   _H11    37     1.09481   105.97336   -43.94266
   35    30 S   CO3  _C3_    29     1.53033   113.12027   105.91617
   36    35 S   O2Z  _O31    30     1.26405   115.61212    37.78197
   37    35 S   O2Z  _O32    31     1.26375   114.84874  -142.87113
   38    33 S   CM   _C19    38     1.51948   111.28119  -162.44867
   39    33 S   OS   _O39    52     1.42762   114.49875    70.43881
   40    38 S   CT   _C14    39     1.51694   114.81908   -89.75062
   41    40 S   HC   _H10    40     1.10102   108.51925   129.94014
   42    38 S   CMA  _C20    99     1.36790   122.71108    90.47715
   43    42 S   OM   _O37   100     1.26970   125.24462     1.02832
   44    40 S   CT   _C15    41     1.53594   114.68860  -108.17654
   45    44 S   HC   _H17    42     1.09773   111.23279    48.05682
   46    44 S   HC   _H18    43     1.09445   112.95742   -72.90896
   47    42 S   OS   _O38   101     1.42039   111.35585  -179.56299
   48    44 S   CT   _C16    44     1.52643   103.79830   166.82683
   49    48 S   HC   _H19    45     1.09394   111.15781  -150.95846
   50    48 S   HC   _H20    46     1.09572   110.16247    87.68245
   51    47 S   CT   _C21   102     1.42669   114.83401   148.70735
   52    51 S   HC   _H23   103     1.09406   107.74589  -172.44669
   53    51 S   HC   _H24   104     1.09481   111.02894    69.65937
   54    51 S   HC   _H25   105     1.09530   111.10473   -54.32915
   55    48 S   CM   _C17    47     1.50308   103.44913   -29.86311
   56    40 S   CT   _C13    48     1.53591   114.22656    10.03707
   57    56 S   HC   _H9_    49     1.09784   109.91495    82.12517
   58    55 S   CM   _C18    96     1.33825   124.33300  -175.00096
   59    58 S   HC   _H21    97     1.08493   121.05510  -179.14225
   60    58 S   HC   _H22    98     1.08468   121.08565     0.94585
   61    56 S   CO   _C12    50     1.54328   113.73098   -42.59193
   62    61 S   HC   _H8_    51     1.09688   109.10829   -91.66799
   63    61 S   OS   _O36    53     1.43677   107.19564   152.47117
   64    63 S   CO   _C11    54     1.43255   113.77688   173.81401
   65    64 S   HC   _H7_    55     1.09622   108.23135    62.65436
   66    64 S   CT   _C10    56     1.53498   107.48594  -178.20289
   67    66 S   HC   _H6_    57     1.09845   108.61310    58.67542
   68    66 S   CT   _C9_    58     1.53648   110.25382   179.11552
   69    68 S   HC   _H5_    59     1.09734   109.56405    69.78903
   70    66 S   OS   _O40    89     1.44731   108.75787   -60.83048
   71    68 S   CT   _C8_    60     1.53678   110.09306   -52.64287
   72    71 S   HC   _H4_    61     1.09741   107.99046   -68.81361
   73    68 S   OS   _O42    82     1.44692   107.57059  -171.72621
   74    70 S   CO4  _C23    90     1.36546   116.92781   141.11168
   75    74 S   O    _O41    91     1.22404   126.45996     1.78290
   76    71 S   CT   _C7_    62     1.53585   110.23044    51.56278
   77    76 S   HC   _H3_    63     1.09849   110.32846    63.82534
   78    71 S   OS   _O44    75     1.44299   109.33336   170.02468
   79    73 S   CO4  _C25    83     1.36241   117.92334  -147.25838
   80    79 S   O    _O43    84     1.22311   126.52552    -3.34041
   81    74 S   CT   _C24    92     1.49768   110.09920  -176.70473
   82    81 S   HC   _H26    93     1.09162   110.30157   -53.31937
   83    81 S   HC   _H27    94     1.09388   109.28622  -171.88335
   84    81 S   HC   _H28    95     1.09250   109.66912    68.91666
   85    64 S   OS   _O35    64     1.42972   111.74641   -58.65741
   86    76 S   CT   _C6_    65     1.53300   112.77664  -176.57297
   87    86 S   HC   _H15    66     1.09602   110.18492   -66.61996
   88    86 S   HC   _H16    67     1.09618   109.86162   172.64198
   89    78 S   CO4  _C27    76     1.36236   118.08043   113.55103
   90    89 S   O    _O45    77     1.22294   126.66779    -0.12511
   91    79 S   CT   _C26    85     1.49782   109.43443   177.24054
   92    91 S   HC   _H29    86     1.09306   109.82543   -58.58873
   93    91 S   HC   _H30    87     1.09375   109.35213  -177.46256
   94    91 S   HC   _H31    88     1.09278   109.79127    63.32424
   95    86 S   OS   _O34    68     1.43804   109.61477    53.94575
   96    89 S   CT   _C28    78     1.49845   109.38291   179.82868
   97    96 S   HC   _H32    79     1.09292   109.80662   -60.94457
   98    96 S   HC   _H33    80     1.09378   109.35616  -179.96574
   99    96 S   HC   _H34    81     1.09282   109.87500    60.98815
  100    95 S   CO4  _C5_    69     1.36194   115.68380  -173.45390
  101   100 S   O    _O33    70     1.22327   126.25398    -0.81132
  102   100 S   CT   _C4_    71     1.49822   109.55108   179.11221
  103   102 S   HC   _H12    72     1.09297   109.80363   -60.87634
  104   102 S   HC   _H13    73     1.09377   109.36574  -179.91607
  105   102 S   HC   _H14    74     1.09289   109.83704    61.01835
  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   7   5   4   3
  13   5   2   1   1  15   9  17   9   8   2  10   6   5   4   9
   4   3   3   2   1   1   8   8   4   3   1   1   6   2   8  13
   6  14   7  15   7   9  14   7   8   5   4   9   6   8   5   4
   3   2   1   1   4   6   3   2   5   4   3   2   1   1   6   3
   2   1   1   5   4   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    40    61    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    56    61    62    39    63    42    43    47  
   38    40    61    39    42  
   36    37  
   37  
    0  
   40    41    44    45    46    48    55    56    57    61    39    42    43    47    51  
   63    64    42    40    55    56    57    61    62  
   41    44    45    46    48    49    50    55    56    57    61    62    63    58    42    43    47  
   44    45    46    48    55    56    57    61    42  
   43    47    51    52    53    54    44    56  
   47    51  
   45    46    48    49    50    55    56    57    61    58  
   46    48    49    50    55    56  
   48    49    50    55    56  
   51    52    53    54  
   49    50    55    56    57    61    58    59    60  
   50    55    56    58  
   55    56    58  
   52    53    54  
   53    54  
   54  
    0  
   56    57    61    62    63    58    59    60  
   57    61    62    63    64    58    59    60  
   61    62    63    58  
   59    60    61  
   60  
    0  
   62    63    64    65    66    85  
   63    64  
   64    65    66    67    68    76    85    70  
   65    66    67    68    69    71    76    77    85    86    73    70    74  
   66    67    68    76    85    70  
   67    68    69    71    72    76    85    78    73    79    70    74    75    81  
   68    69    71    85    73    70    74  
   69    71    72    76    77    85    86    78    89    73    79    80    91    70    74  
   71    72    76    78    73    79    70  
   74    75    81    82    83    84    71    73    85  
   72    76    77    85    86    87    88    95    78    89    90    96    73    79  
   76    77    85    86    78    89    73  
   79    80    91    92    93    94    76    78  
   75    81    82    83    84  
   81    82    83    84  
   77    85    86    87    88    95   100    78    89  
   85    86    87    88    95    78  
   89    90    96    97    98    99    85    86  
   80    91    92    93    94  
   91    92    93    94  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    95  
   87    88    95   100   101   102  
   88    95   100  
   95   100  
   90    96    97    98    99  
   96    97    98    99  
   92    93    94  
   93    94  
   94  
    0  
  100   101   102   103   104   105  
   97    98    99  
   98    99  
   99  
    0  
  101   102   103   104   105  
  102   103   104   105  
  103   104   105  
  104   105  
  105  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    56   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   317.000  1.510
   55    56   317.000  1.510
   55    58   549.000  1.340
   56    57   340.000  1.090
   56    61   250.000  1.527
   61    62   340.000  1.090
   61    39   320.000  1.380
   61    63   320.000  1.380
   63    64   320.000  1.380
   64    65   340.000  1.090
   64    66   250.000  1.527
   64    85   320.000  1.380
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    70   320.000  1.410
   68    69   340.000  1.090
   68    71   268.000  1.529
   68    73   320.000  1.410
   71    72   340.000  1.090
   71    76   268.000  1.529
   71    78   320.000  1.410
   76    77   340.000  1.090
   76    85   320.000  1.410
   76    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    95   320.000  1.410
   95   100   214.000  1.327
  100   101   570.000  1.229
  100   102   317.000  1.522
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   78    89   214.000  1.327
   89    90   570.000  1.229
   89    96   317.000  1.522
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   73    79   214.000  1.327
   79    80   570.000  1.229
   79    91   317.000  1.522
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   70    74   214.000  1.327
   74    75   570.000  1.229
   74    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   58    59   340.000  1.080
   58    60   340.000  1.080
   42    43   745.000  1.250
   42    47   440.000  1.360
   47    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    61    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    44    70.00000  112.02700
   38    40    56    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    47    80.00000  120.01400
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    56    55    70.00000  112.02700
   40    56    57    37.50000  110.70000
   40    56    61    75.00000  109.43000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    55    70.00000  112.02700
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    55    56    65.00000  117.92700
   48    55    58    70.00000  124.00000
   50    48    49    33.00000  107.80000
   55    48    49    35.00000  109.50000
   55    48    50    35.00000  109.50000
   55    56    57    35.00000  109.50000
   55    56    61    70.00000  112.02700
   55    58    59    35.00000  120.00000
   55    58    60    35.00000  120.00000
   56    40    41    37.50000  110.70000
   56    40    44    58.35000  112.70000
   56    61    62    45.00000  112.01100
   56    61    39    90.00000  108.56700
   56    61    63    90.00000  108.56700
   61    56    57    45.00000  108.72000
   61    63    64   100.00000  109.58800
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    61    62    35.00000  109.50000
   63    61    62    35.00000  109.50000
   63    61    39    92.60000  111.55000
   63    64    65    35.00000  109.50000
   63    64    66    90.00000  108.56700
   63    64    85    92.60000  111.55000
   64    66    67    45.00000  108.72000
   64    66    68    75.00000  109.43000
   64    66    70    90.00000  109.38000
   64    85    76    60.00000  109.50000
   66    64    65    45.00000  112.01100
   66    68    69    37.50000  110.70000
   66    68    71    58.35000  112.70000
   66    68    73    50.00000  109.50000
   66    70    74    83.00000  116.90000
   68    66    67    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    76    58.35000  112.70000
   68    71    78    50.00000  109.50000
   68    73    79    83.00000  116.90000
   71    68    69    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    85    50.00000  109.50000
   71    76    86    58.35000  112.70000
   71    78    89    83.00000  116.90000
   76    71    72    37.50000  110.70000
   76    86    87    37.50000  110.70000
   76    86    88    37.50000  110.70000
   76    86    95    50.00000  109.50000
   85    64    65    35.00000  109.50000
   85    64    66    90.00000  108.56700
   85    76    77    35.00000  109.50000
   86    76    77    37.50000  110.70000
   86    76    85    50.00000  109.50000
   86    95   100    83.00000  116.90000
   88    86    87    33.00000  107.80000
   95    86    87    35.00000  109.50000
   95    86    88    35.00000  109.50000
   95   100   101    83.00000  123.40000
   95   100   102    81.00000  111.40000
  100   102   103    35.00000  109.50000
  100   102   104    35.00000  109.50000
  100   102   105    35.00000  109.50000
  102   100   101    80.00000  120.40000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   78    71    72    35.00000  109.50000
   78    71    76    50.00000  109.50000
   78    89    90    83.00000  123.40000
   78    89    96    81.00000  111.40000
   89    96    97    35.00000  109.50000
   89    96    98    35.00000  109.50000
   89    96    99    35.00000  109.50000
   96    89    90    80.00000  120.40000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    71    50.00000  109.50000
   73    79    80    83.00000  123.40000
   73    79    91    81.00000  111.40000
   79    91    92    35.00000  109.50000
   79    91    93    35.00000  109.50000
   79    91    94    35.00000  109.50000
   91    79    80    80.00000  120.40000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   70    66    67    35.00000  109.50000
   70    66    68    50.00000  109.50000
   70    74    75    83.00000  123.40000
   70    74    81    81.00000  111.40000
   74    81    82    35.00000  109.50000
   74    81    83    35.00000  109.50000
   74    81    84    35.00000  109.50000
   81    74    75    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   58    55    56    70.00000  124.00000
   60    58    59    35.00000  117.00000
   42    38    40    70.00000  124.00000
   42    47    51    90.00000  111.18400
   47    42    43    65.00000  121.00000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    61   0.14700  1.0 1.0
   29    33    39    61  -1.16150 -1.0 2.0
   29    33    39    61   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    44   0.46850  1.0 1.0
   33    38    40    44   0.08550 -1.0 2.0
   33    38    40    44   0.09800  1.0 3.0
   33    38    40    56   0.46850  1.0 1.0
   33    38    40    56   0.08550 -1.0 2.0
   33    38    40    56   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    61   0.37050  1.0 3.0
   38    33    39    61  -0.77900  1.0 1.0
   38    33    39    61  -0.36900 -1.0 2.0
   38    33    39    61   0.40400  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    48   0.34400  1.0 1.0
   38    40    44    48   0.09450 -1.0 2.0
   38    40    44    48   0.11100  1.0 3.0
   38    40    56    55   0.31000  1.0 1.0
   38    40    56    55   0.14700 -1.0 2.0
   38    40    56    55   0.07550  1.0 3.0
   38    40    56    57   0.15000  1.0 3.0
   38    40   -56    61   0.34400  1.0 1.0
   38    40   -56    61   0.09450 -1.0 2.0
   38    40   -56    61   0.11100  1.0 3.0
   38    42    47    51  -2.26850  1.0 1.0
   38    42    47    51   3.39050 -1.0 2.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    47   7.00000 -1.0 2.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    50   0.15000  1.0 3.0
   40    44   -48    55   0.34400  1.0 1.0
   40    44   -48    55   0.09450 -1.0 2.0
   40    44   -48    55   0.11100  1.0 3.0
   40    56    61    62   0.15000  1.0 3.0
   40    56    61    39   0.62750  1.0 1.0
   40    56    61    39  -0.30950 -1.0 2.0
   40    56    61    39   0.27300  1.0 3.0
   40    56    61    63   0.62750  1.0 1.0
   40    56    61    63  -0.30950 -1.0 2.0
   40    56    61    63   0.27300  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    56    55   0.15000  1.0 3.0
   41    40    56    57   0.15000  1.0 3.0
   41    40    56    61   0.15000  1.0 3.0
   44    40   -56    55   0.34400  1.0 1.0
   44    40   -56    55   0.09450 -1.0 2.0
   44    40   -56    55   0.11100  1.0 3.0
   44    40    56    57   0.15000  1.0 3.0
   44    40    56    61   3.97050  1.0 1.0
   44    48   -55    56   0.46850  1.0 1.0
   44    48   -55    56   0.08550 -1.0 2.0
   44    48   -55    56   0.09800  1.0 3.0
   44    48    55    58   0.09850  1.0 1.0
   44    48    55    58   0.15250 -1.0 2.0
   44    48    55    58  -0.50650  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    55   0.15000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    50   0.15000  1.0 3.0
   46    44    48    55   0.15000  1.0 3.0
   48    55   -56    40   0.46850  1.0 1.0
   48    55   -56    40   0.08550 -1.0 2.0
   48    55   -56    40   0.09800  1.0 3.0
   48    55    56    57   0.34800  1.0 3.0
   48    55    56    61   0.46850  1.0 1.0
   48    55    56    61   0.08550 -1.0 2.0
   48    55    56    61   0.09800  1.0 3.0
   48    55    58    59   7.00000 -1.0 2.0
   48    55    58    60   7.00000 -1.0 2.0
   49    48    55    56   0.34800  1.0 3.0
   49    48    55    58   0.00000  1.0 1.0
   50    48    55    56   0.34800  1.0 3.0
   50    48    55    58   0.00000  1.0 1.0
   55    56    61    62   0.15000  1.0 3.0
   55    56    61    39   0.61850  1.0 1.0
   55    56    61    39  -0.22750 -1.0 2.0
   55    56    61    39   0.15300  1.0 3.0
   55    56    61    63   0.61850  1.0 1.0
   55    56    61    63  -0.22750 -1.0 2.0
   55    56    61    63   0.15300  1.0 3.0
   56    40    44    45   0.15000  1.0 3.0
   56    40    44    46   0.15000  1.0 3.0
   56    40   -44    48   0.56750  1.0 1.0
   56    40   -44    48  -0.07550 -1.0 2.0
   56    40   -44    48   0.20000  1.0 3.0
   56    55    58    59   7.00000 -1.0 2.0
   56    55    58    60   7.00000 -1.0 2.0
   56    61   -39    33   0.06250  1.0 1.0
   56    61   -39    33  -0.01100 -1.0 2.0
   56    61   -39    33   0.28050  1.0 3.0
   56    61    63    64   0.06250  1.0 1.0
   56    61    63    64  -0.01100 -1.0 2.0
   56    61    63    64   0.28050  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    39   0.23400  1.0 3.0
   57    56    61    63   0.23400  1.0 3.0
   61    63    64    65   0.37050  1.0 3.0
   61    63    64    66   0.06250  1.0 1.0
   61    63    64    66  -0.01100 -1.0 2.0
   61    63    64    66   0.28050  1.0 3.0
   61    63    64    85  -0.53350  1.0 1.0
   61    63    64    85  -0.78350 -1.0 2.0
   61    63    64    85   0.33750  1.0 3.0
   62    61    39    33   0.37050  1.0 3.0
   62    61    63    64   0.37050  1.0 3.0
   39    33   -38    40   0.09700  1.0 1.0
   39    33   -38    40   0.15600 -1.0 2.0
   39    33   -38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    61    63    64  -0.53350  1.0 1.0
   39    61    63    64  -0.78350 -1.0 2.0
   39    61    63    64   0.33750  1.0 3.0
   63    61    39    33  -0.81800  1.0 1.0
   63    64    66    67   0.23400  1.0 3.0
   63    64    66    68   0.62750  1.0 1.0
   63    64    66    68  -0.30950 -1.0 2.0
   63    64    66    68   0.27300  1.0 3.0
   63    64    66    70   1.11900  1.0 1.0
   63    64    66    70  -1.16350 -1.0 2.0
   63    64    66    70  -0.34150  1.0 3.0
   63    64    85    76  -0.81800  1.0 1.0
   64    66    68    69   0.15000  1.0 3.0
   64    66    68    71   3.97050  1.0 1.0
   64    66    68    73   0.62750  1.0 1.0
   64    66    68    73  -0.30950 -1.0 2.0
   64    66    68    73   0.27300  1.0 3.0
   64    66    70    74  -0.25900  1.0 1.0
   64    66    70    74  -0.47000 -1.0 2.0
   64    66    70    74   0.11750  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    70   0.23400  1.0 3.0
   65    64    85    76   0.37050  1.0 3.0
   66    64    85    76   0.06250  1.0 1.0
   66    64    85    76  -0.01100 -1.0 2.0
   66    64    85    76   0.28050  1.0 3.0
   66    68    71    72   0.15000  1.0 3.0
   66    68   -71    76   0.56750  1.0 1.0
   66    68   -71    76  -0.07550 -1.0 2.0
   66    68   -71    76   0.20000  1.0 3.0
   66    68    71    78   0.62750  1.0 1.0
   66    68    71    78  -0.30950 -1.0 2.0
   66    68    71    78   0.27300  1.0 3.0
   66    68    73    79  -0.25900  1.0 1.0
   66    68    73    79  -0.47000 -1.0 2.0
   66    68    73    79   0.11750  1.0 3.0
   66    70    74    75   3.00000 -1.0 2.0
   66    70    74    81   1.63150  1.0 1.0
   66    70    74    81   2.92000 -1.0 2.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66    68    73   0.23400  1.0 3.0
   67    66    70    74   0.08050  1.0 3.0
   68    66    70    74  -0.25900  1.0 1.0
   68    66    70    74  -0.47000 -1.0 2.0
   68    66    70    74   0.11750  1.0 3.0
   68    71    76    77   0.15000  1.0 3.0
   68    71    76    85   0.62750  1.0 1.0
   68    71    76    85  -0.30950 -1.0 2.0
   68    71    76    85   0.27300  1.0 3.0
   68    71    76    86   0.56750  1.0 1.0
   68    71    76    86  -0.07550 -1.0 2.0
   68    71    76    86   0.20000  1.0 3.0
   68    71    78    89  -0.25900  1.0 1.0
   68    71    78    89  -0.47000 -1.0 2.0
   68    71    78    89   0.11750  1.0 3.0
   68    73    79    80   3.00000 -1.0 2.0
   68    73    79    91   1.63150  1.0 1.0
   68    73    79    91   2.92000 -1.0 2.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    76   0.15000  1.0 3.0
   69    68    71    78   0.23400  1.0 3.0
   69    68    73    79   0.08050  1.0 3.0
   71    68    73    79  -0.25900  1.0 1.0
   71    68    73    79  -0.47000 -1.0 2.0
   71    68    73    79   0.11750  1.0 3.0
   71    76   -85    64   0.06250  1.0 1.0
   71    76   -85    64  -0.01100 -1.0 2.0
   71    76   -85    64   0.28050  1.0 3.0
   71    76    86    87   0.15000  1.0 3.0
   71    76    86    88   0.15000  1.0 3.0
   71    76    86    95   0.62750  1.0 1.0
   71    76    86    95  -0.30950 -1.0 2.0
   71    76    86    95   0.27300  1.0 3.0
   71    78    89    90   3.00000 -1.0 2.0
   71    78    89    96   1.63150  1.0 1.0
   71    78    89    96   2.92000 -1.0 2.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    85   0.23400  1.0 3.0
   72    71    76    86   0.15000  1.0 3.0
   72    71    78    89   0.08050  1.0 3.0
   76    71    78    89  -0.25900  1.0 1.0
   76    71    78    89  -0.47000 -1.0 2.0
   76    71    78    89   0.11750  1.0 3.0
   76    86    95   100  -0.25900  1.0 1.0
   76    86    95   100  -0.47000 -1.0 2.0
   76    86    95   100   0.11750  1.0 3.0
   77    76    85    64   0.37050  1.0 3.0
   77    76    86    87   0.15000  1.0 3.0
   77    76    86    88   0.15000  1.0 3.0
   77    76    86    95   0.23400  1.0 3.0
   85    64    66    67   0.23400  1.0 3.0
   85    64   -66    68   0.62750  1.0 1.0
   85    64   -66    68  -0.30950 -1.0 2.0
   85    64   -66    68   0.27300  1.0 3.0
   85    64    66    70   1.11900  1.0 1.0
   85    64    66    70  -1.16350 -1.0 2.0
   85    64    66    70  -0.34150  1.0 3.0
   85    76    86    87   0.23400  1.0 3.0
   85    76    86    88   0.23400  1.0 3.0
   85    76    86    95   1.11900  1.0 1.0
   85    76    86    95  -1.16350 -1.0 2.0
   85    76    86    95  -0.34150  1.0 3.0
   86    76    85    64   0.06250  1.0 1.0
   86    76    85    64  -0.01100 -1.0 2.0
   86    76    85    64   0.28050  1.0 3.0
   86    95   100   101   3.00000 -1.0 2.0
   86    95   100   102   1.63150  1.0 1.0
   86    95   100   102   2.92000 -1.0 2.0
   87    86    95   100   0.08050  1.0 3.0
   88    86    95   100   0.08050  1.0 3.0
   95   100   102   103   0.00000  1.0 1.0
   95   100   102   104   0.00000  1.0 1.0
   95   100   102   105   0.00000  1.0 1.0
  101   100   102   103   0.00000  1.0 1.0
  101   100   102   104   0.00000  1.0 1.0
  101   100   102   105   0.00000  1.0 1.0
   78    71    76    77   0.23400  1.0 3.0
   78    71    76    85   1.11900  1.0 1.0
   78    71    76    85  -1.16350 -1.0 2.0
   78    71    76    85  -0.34150  1.0 3.0
   78    71    76    86   0.62750  1.0 1.0
   78    71    76    86  -0.30950 -1.0 2.0
   78    71    76    86   0.27300  1.0 3.0
   78    89    96    97   0.00000  1.0 1.0
   78    89    96    98   0.00000  1.0 1.0
   78    89    96    99   0.00000  1.0 1.0
   90    89    96    97   0.00000  1.0 1.0
   90    89    96    98   0.00000  1.0 1.0
   90    89    96    99   0.00000  1.0 1.0
   73    68    71    72   0.23400  1.0 3.0
   73    68    71    76   0.62750  1.0 1.0
   73    68    71    76  -0.30950 -1.0 2.0
   73    68    71    76   0.27300  1.0 3.0
   73    68    71    78   1.11900  1.0 1.0
   73    68    71    78  -1.16350 -1.0 2.0
   73    68    71    78  -0.34150  1.0 3.0
   73    79    91    92   0.00000  1.0 1.0
   73    79    91    93   0.00000  1.0 1.0
   73    79    91    94   0.00000  1.0 1.0
   80    79    91    92   0.00000  1.0 1.0
   80    79    91    93   0.00000  1.0 1.0
   80    79    91    94   0.00000  1.0 1.0
   70    66    68    69   0.23400  1.0 3.0
   70    66    68    71   0.62750  1.0 1.0
   70    66    68    71  -0.30950 -1.0 2.0
   70    66    68    71   0.27300  1.0 3.0
   70    66    68    73   1.11900  1.0 1.0
   70    66    68    73  -1.16350 -1.0 2.0
   70    66    68    73  -0.34150  1.0 3.0
   70    74    81    82   0.00000  1.0 1.0
   70    74    81    83   0.00000  1.0 1.0
   70    74    81    84   0.00000  1.0 1.0
   75    74    81    82   0.00000  1.0 1.0
   75    74    81    83   0.00000  1.0 1.0
   75    74    81    84   0.00000  1.0 1.0
   58    55    56    40   0.09850  1.0 1.0
   58    55    56    40   0.15250 -1.0 2.0
   58    55    56    40  -0.50650  1.0 3.0
   58    55    56    57   0.00000  1.0 1.0
   58    55    56    61   0.09850  1.0 1.0
   58    55    56    61   0.15250 -1.0 2.0
   58    55    56    61  -0.50650  1.0 3.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    44   0.09850  1.0 1.0
   42    38    40    44   0.15250 -1.0 2.0
   42    38    40    44  -0.50650  1.0 3.0
   42    38    40    56   0.09850  1.0 1.0
   42    38    40    56   0.15250 -1.0 2.0
   42    38    40    56  -0.50650  1.0 3.0
   42    47    51    52   0.08050  1.0 3.0
   42    47    51    53   0.08050  1.0 3.0
   42    47    51    54   0.08050  1.0 3.0
   43    42    47    51   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    42   1.10000 -1.0 2.0
   48    56    55    58   1.10000 -1.0 2.0
   95   102   100   101  10.50000 -1.0 2.0
   78    96    89    90  10.50000 -1.0 2.0
   73    91    79    80  10.50000 -1.0 2.0
   70    81    74    75  10.50000 -1.0 2.0
   59    60    58    55   1.10000 -1.0 2.0
   43    47    42    38   1.10000 -1.0 2.0
END
