* LIGAND DATABASE FILE (OPLS2005)
*
001     103   106    194    312     583
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02080    62.97057  -106.21553
    3     1 S   H    _H1_     3     1.02115   106.00363    -3.05659
    4     1 S   H    _H2_     4     1.02119    49.40190    98.09442
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C13    36     1.83361    97.78143  -178.17437
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C14    37     1.49943   111.04494   -40.00791
   38    33 S   CT   _C12    61     1.55790   114.59338  -177.60126
   39    38 S   HC   _H5_    62     1.09961   106.52913   -79.93414
   40    37 S   CM   _C15    38     1.33492   108.48525   114.03492
   41    37 S   CT   _C17    44     1.50291   126.60730   -57.65612
   42    41 S   HC   _H23    45     1.09556   109.51031    29.28309
   43    41 S   HC   _H24    46     1.10042   107.90454   140.81472
   44    38 S   OH   _O42    63     1.42959   109.11311   169.01221
   45    44 S   HO   _H32    64     0.96816   106.29470    44.41247
   46    40 S   OS   _O33    39     1.38137   116.26023     0.47888
   47    40 S   OH   _O35    42     1.36983   124.09310  -177.06168
   48    47 S   HO   _H22    43     0.96578   110.37798  -179.93744
   49    41 S   CT   _C18    47     1.54605   118.75901   -97.60705
   50    49 S   HC   _H6_    48     1.09899   105.64112  -176.54458
   51    33 S   CO4  _C16    40     1.53896   105.50888    65.32186
   52    51 S   O    _O34    41     1.22664   124.74079    59.56986
   53    49 S   CT   _C19    49     1.53827   115.28812    65.72594
   54    53 S   HC   _H25    50     1.08929   110.84150   -81.62770
   55    53 S   HC   _H26    51     1.09907   108.69289   164.64134
   56    49 S   CT   _C24    88     1.53186   112.49207   -61.14047
   57    56 S   HC   _H7_    89     1.09222   108.97008    69.76711
   58    53 S   CM   _C20    52     1.48559   113.23064    43.87878
   59    56 S   CT   _C25    90     1.52155   111.52444  -168.62859
   60    59 S   HC   _H8_    91     1.09757   108.50753   -58.71183
   61    56 S   OH   _O41   102     1.42093   108.80274   -47.54518
   62    61 S   HO   _H31   103     0.97180   106.74918   -60.01393
   63    58 S   CM   _C21    53     1.33307   130.55619  -106.42225
   64    59 S   CT   _C26    92     1.52265   111.48244   178.96599
   65    64 S   HC   _H27    93     1.09578   109.77946    68.95103
   66    64 S   HC   _H28    94     1.09647   111.59702   -50.62167
   67    63 S   CO4  _C22    54     1.47383   106.69336  -179.42461
   68    67 S   O    _O36    55     1.21843   126.54791  -179.89165
   69    63 S   CT   _C11    59     1.50284   133.19987     0.14537
   70    69 S   HC   _H4_    60     1.10256   106.03425   159.46382
   71    64 S   CM   _C27    95     1.49064   108.90011  -170.44930
   72    71 S   HC   _H29    96     1.08503   118.52456  -153.61014
   73    67 S   OS   _O37    56     1.35345   107.73167     0.28531
   74    69 S   CT   _C10    65     1.53807   108.24916   -87.73406
   75    74 S   HC   _H3_    66     1.09090   108.83595    60.00815
   76    71 S   CM   _C28    97     1.33670   121.72765    26.63799
   77    76 S   HC   _H30    98     1.08384   121.17788   179.24515
   78    58 S   CO4  _C23    57     1.46629   121.11320    74.83716
   79    78 S   O    _O38    58     1.21704   126.57896    -0.41825
   80    74 S   CT   _C9_    67     1.52547   110.64371  -178.25976
   81    80 S   HC   _H20    68     1.09726   109.87184    60.03679
   82    80 S   HC   _H21    69     1.09699   109.87621   -58.11185
   83    74 S   OH   _O43    86     1.41966   108.25265   -57.93202
   84    83 S   HO   _H33    87     0.97114   106.83071   -59.99186
   85    76 S   CO4  _C29    99     1.47496   120.55965     3.86234
   86    85 S   O    _O39   100     1.22587   120.78978   167.86662
   87    80 S   CT   _C8_    70     1.53406   111.57208  -179.55369
   88    87 S   HC   _H18    71     1.09552   109.39784   -59.66142
   89    87 S   HC   _H19    72     1.09621   109.50050    57.67272
   90    59 S   OS   _O40   101     1.44396   107.89286    57.47561
   91    87 S   CT   _C7_    73     1.53071   111.17690   178.86806
   92    91 S   HC   _H16    74     1.09736   109.75759    58.27993
   93    91 S   HC   _H17    75     1.09688   109.02121   -58.30382
   94    91 S   CT   _C6_    76     1.53163   113.41369  -178.77923
   95    94 S   HC   _H14    77     1.09684   109.58891   -60.00857
   96    94 S   HC   _H15    78     1.09664   108.11003    55.88253
   97    94 S   CT   _C5_    79     1.52866   113.39281   176.93656
   98    97 S   HC   _H12    80     1.09610   109.94404   -55.96626
   99    97 S   HC   _H13    81     1.09489   110.39909    62.27084
  100    97 S   CT   _C4_    82     1.52172   111.34274  -177.04773
  101   100 S   HC   _H9_    83     1.09402   111.03956   -58.47234
  102   100 S   HC   _H10    84     1.09451   110.24791    61.24186
  103   100 S   HC   _H11    85     1.09487   110.98100  -179.03267
  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  11   5   4   3
  18   2   1   1  17  17   7   9  15   5   4   6   1   4   2   1
  15   8   2   1  13   5   4  12   6   9  12   7   3   1  11   8
   5   4   7   3  11   4   6   3   2  10   6   4   3   1   1  11
   6   5   2   1   2   1   9   5   4   1   9   5   4   9   5   4
   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    46    51    52    41    69    38    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    46    51    52    47    41    42    43    49    63    69    70    38    39    44    45    74  
   35    36  
   36  
    0  
   40    46    51    52    47    48    41    42    43    49    50    53    69    38    39    44    56  
   39    44    45    74    75    80    83    40    41    46    51    52    58    63    67    69    70  
   44    45    74    51    63    69    70  
   46    51    52    47    48    41    42    43    49  
   42    43    49    50    53    54    55    58    56    57    59    61    46    47    51  
   43    49    50    53    56  
   49    50    53    56  
   45    74    51    63    69    70  
   69  
   51    52    47    48  
   48    51  
    0  
   50    53    54    55    58    63    78    56    57    59    60    64    90    61    62  
   53    54    55    58    56    57    59    61  
   52    69  
    0  
   54    55    58    63    67    73    78    79    69    56    57    59    61  
   55    58    63    78    56  
   58    63    78    56  
   57    59    60    64    65    66    71    85    90    61    62    58  
   59    60    64    90    61    62  
   63    67    68    73    78    79    69    70    74  
   60    64    65    66    71    72    76    85    86    90    61    62  
   64    65    66    71    85    90    61  
   62    64    90  
    0  
   67    68    73    78    79    69    70    74    75    80    83  
   65    66    71    72    76    77    85    90  
   66    71    72    76    90  
   71    72    76    90  
   68    73    78    79    69    70    74  
   73    78    69  
   70    74    75    80    81    82    87    83    84    73    78  
   74    75    80    83  
   72    76    77    85    86    90  
   76    77    85  
   78    79  
   75    80    81    82    87    88    89    91    83    84  
   80    81    82    87    83    84  
   77    85    86    90  
   85    86    90  
   79  
    0  
   81    82    87    88    89    91    92    93    94    83    84  
   82    87    88    89    91    83  
   87    88    89    91    83  
   84    87  
    0  
   86    90  
   90  
   88    89    91    92    93    94    95    96    97  
   89    91    92    93    94  
   91    92    93    94  
    0  
   92    93    94    95    96    97    98    99   100  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97    98    99   100   101   102   103  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100   101   102   103  
   99   100   101   102   103  
  100   101   102   103  
  101   102   103  
  102   103  
  103  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.160000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    51   317.000  1.522
   33    38   268.000  1.529
   37    40   549.000  1.340
   37    41   317.000  1.510
   40    46   440.000  1.360
   40    47   510.000  1.338
   46    51   214.000  1.327
   51    52   570.000  1.229
   47    48   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   268.000  1.529
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    63   549.000  1.340
   58    78   320.000  1.462
   63    67   320.000  1.462
   63    69   317.000  1.510
   67    68   570.000  1.229
   67    73   214.000  1.327
   73    78   214.000  1.327
   78    79   570.000  1.229
   69    70   340.000  1.090
   69    38   268.000  1.529
   69    74   268.000  1.529
   38    39   340.000  1.090
   38    44   320.000  1.410
   44    45   553.000  0.945
   74    75   340.000  1.090
   74    80   268.000  1.529
   74    83   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   83    84   553.000  0.945
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    61   320.000  1.410
   59    60   340.000  1.090
   59    64   268.000  1.529
   59    90   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   317.000  1.510
   71    72   340.000  1.080
   71    76   549.000  1.340
   76    77   340.000  1.080
   76    85   320.000  1.462
   85    86   570.000  1.229
   85    90   214.000  1.327
   61    62   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    51    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    41    65.00000  117.92700
   33    51    46    81.00000  111.40000
   33    51    52    80.00000  120.40000
   33    38    69    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    44    50.00000  109.50000
   37    40    46    80.00000  120.01400
   37    40    47    80.00000  121.38400
   37    41    42    35.00000  109.50000
   37    41    43    35.00000  109.50000
   37    41    49    70.00000  112.02700
   40    46    51    90.00000  114.22900
   40    47    48    70.00000  107.45700
   46    51    52    83.00000  123.40000
   51    33    37    70.00000  109.06800
   47    40    46   115.00000  116.36000
   41    37    40    70.00000  124.00000
   41    49    50    37.50000  110.70000
   41    49    53    58.35000  112.70000
   41    49    56    58.35000  112.70000
   43    41    42    33.00000  107.80000
   49    41    42    37.50000  110.70000
   49    41    43    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    58    70.00000  112.02700
   49    56    57    37.50000  110.70000
   49    56    59    58.35000  112.70000
   49    56    61    50.00000  109.50000
   53    49    50    37.50000  110.70000
   53    58    63    70.00000  124.00000
   53    58    78    65.00000  116.34900
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    63    67    65.00000  118.96000
   58    63    69    70.00000  124.00000
   58    78    73    90.00000  111.29400
   58    78    79    80.00000  123.72100
   63    67    68    80.00000  123.72100
   63    67    73    90.00000  111.29400
   63    69    70    35.00000  109.50000
   63    69    38    70.00000  112.02700
   63    69    74    70.00000  112.02700
   67    73    78   105.00000  110.06700
   73    67    68    83.00000  123.40000
   73    78    79    83.00000  123.40000
   78    58    63    65.00000  118.96000
   69    63    67    65.00000  116.34900
   69    38    39    37.50000  110.70000
   69    38    44    50.00000  109.50000
   69    74    75    37.50000  110.70000
   69    74    80    58.35000  112.70000
   69    74    83    50.00000  109.50000
   38    33    37    70.00000  112.02700
   38    33    51    63.00000  111.10000
   38    69    70    37.50000  110.70000
   38    44    45    55.00000  108.50000
   44    38    39    35.00000  109.50000
   74    69    70    37.50000  110.70000
   74    69    38    58.35000  112.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    87    58.35000  112.70000
   74    83    84    55.00000  108.50000
   80    74    75    37.50000  110.70000
   80    87    88    37.50000  110.70000
   80    87    89    37.50000  110.70000
   80    87    91    58.35000  112.70000
   82    80    81    33.00000  107.80000
   87    80    81    37.50000  110.70000
   87    80    82    37.50000  110.70000
   87    91    92    37.50000  110.70000
   87    91    93    37.50000  110.70000
   87    91    94    58.35000  112.70000
   89    87    88    33.00000  107.80000
   91    87    88    37.50000  110.70000
   91    87    89    37.50000  110.70000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    97    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    37.50000  110.70000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100   102    37.50000  110.70000
   97   100   103    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   83    74    75    35.00000  109.50000
   83    74    80    50.00000  109.50000
   56    49    50    37.50000  110.70000
   56    49    53    58.35000  112.70000
   56    59    60    37.50000  110.70000
   56    59    64    58.35000  112.70000
   56    59    90    50.00000  109.50000
   56    61    62    55.00000  108.50000
   59    56    57    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    71    70.00000  112.02700
   59    90    85    83.00000  116.90000
   64    59    60    37.50000  110.70000
   64    71    72    35.00000  117.00000
   64    71    76    70.00000  124.00000
   66    64    65    33.00000  107.80000
   71    64    65    35.00000  109.50000
   71    64    66    35.00000  109.50000
   71    76    77    35.00000  120.00000
   71    76    85    65.00000  118.96000
   76    71    72    35.00000  120.00000
   76    85    86    80.00000  123.72100
   76    85    90    90.00000  111.29400
   85    76    77    40.00000  117.72500
   90    59    60    35.00000  109.50000
   90    59    64    50.00000  109.50000
   90    85    86    83.00000  123.40000
   61    56    57    35.00000  109.50000
   61    56    59    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    41   0.30250  1.0 1.0
   29    33    37    41  -0.14950 -1.0 2.0
   29    33    37    41   0.36900  1.0 3.0
   29    33    51    46   0.40000  1.0 3.0
   29    33    51    52   0.30150 -1.0 2.0
   29    33    38    69   0.44750  1.0 1.0
   29    33    38    69  -0.17800 -1.0 2.0
   29    33    38    69   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   33    37   -40    46   7.00000 -1.0 2.0
   33    37    40    47   7.00000 -1.0 2.0
   33    37    41    42   0.34800  1.0 3.0
   33    37    41    43   0.34800  1.0 3.0
   33    37    41    49   0.46850  1.0 1.0
   33    37    41    49   0.08550 -1.0 2.0
   33    37    41    49   0.09800  1.0 3.0
   33    38    44    45  -0.11600  1.0 1.0
   33    38    44    45  -0.09450 -1.0 2.0
   33    38    44    45   0.21250  1.0 3.0
   37    33   -51    46   0.40000  1.0 3.0
   37    33    51    52   0.30150 -1.0 2.0
   37    33    38    69   0.34400  1.0 1.0
   37    33    38    69   0.09450 -1.0 2.0
   37    33    38    69   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    44   1.05650  1.0 1.0
   37    33    38    44   0.15600 -1.0 2.0
   37    33    38    44   0.53150  1.0 3.0
   37    40   -46    51  -1.93650  1.0 1.0
   37    40   -46    51   2.17750 -1.0 2.0
   37    40   -46    51  -0.40250  1.0 3.0
   37    40    47    48  -0.66100  1.0 1.0
   37    40    47    48   1.20850 -1.0 2.0
   37    40    47    48  -0.36000  1.0 3.0
   37    41    49    50   0.15000  1.0 3.0
   37    41    49    53   0.34400  1.0 1.0
   37    41    49    53   0.09450 -1.0 2.0
   37    41    49    53   0.11100  1.0 3.0
   37    41    49    56   0.34400  1.0 1.0
   37    41    49    56   0.09450 -1.0 2.0
   37    41    49    56   0.11100  1.0 3.0
   40    37    41    42   0.00000  1.0 1.0
   40    37    41    43   0.00000  1.0 1.0
   40    37    41    49   0.09850  1.0 1.0
   40    37    41    49   0.15250 -1.0 2.0
   40    37    41    49  -0.50650  1.0 3.0
   40    46   -51    33   0.82650  1.0 1.0
   40    46   -51    33   1.69000 -1.0 2.0
   40    46    51    52   3.00000 -1.0 2.0
   46    40    47    48   2.00000 -1.0 2.0
   51    33   -37    40  -0.51250  1.0 1.0
   51    33   -37    40  -0.88800 -1.0 2.0
   51    33   -37    40   0.08850  1.0 3.0
   51    33    37    41   0.17250  1.0 1.0
   51    33    37    41  -0.04100 -1.0 2.0
   51    33    37    41  -0.33850  1.0 3.0
   51    33    38    69  -0.95700  1.0 1.0
   51    33    38    69  -0.18200 -1.0 2.0
   51    33    38    69   0.29450  1.0 3.0
   51    33    38    39  -0.11250  1.0 3.0
   51    33    38    44  -0.09450  1.0 1.0
   51    33    38    44  -1.12950 -1.0 2.0
   51    33    38    44   0.54000  1.0 3.0
   47    40    46    51   2.00000 -1.0 2.0
   41    37    40    46   7.00000 -1.0 2.0
   41    37    40    47   7.00000 -1.0 2.0
   41    49    53    54   0.15000  1.0 3.0
   41    49    53    55   0.15000  1.0 3.0
   41    49    53    58   0.34400  1.0 1.0
   41    49    53    58   0.09450 -1.0 2.0
   41    49    53    58   0.11100  1.0 3.0
   41    49    56    57   0.15000  1.0 3.0
   41    49    56    59   0.56750  1.0 1.0
   41    49    56    59  -0.07550 -1.0 2.0
   41    49    56    59   0.20000  1.0 3.0
   41    49    56    61   0.86500  1.0 1.0
   41    49    56    61  -0.17500 -1.0 2.0
   41    49    56    61   0.20800  1.0 3.0
   42    41    49    50   0.15000  1.0 3.0
   42    41    49    53   0.15000  1.0 3.0
   42    41    49    56   0.15000  1.0 3.0
   43    41    49    50   0.15000  1.0 3.0
   43    41    49    53   0.15000  1.0 3.0
   43    41    49    56   0.15000  1.0 3.0
   49    53    58    63   0.09850  1.0 1.0
   49    53    58    63   0.15250 -1.0 2.0
   49    53    58    63  -0.50650  1.0 3.0
   49    53    58    78   0.09700  1.0 1.0
   49    53    58    78   0.15600 -1.0 2.0
   49    53    58    78  -0.50800  1.0 3.0
   49    56    59    60   0.15000  1.0 3.0
   49    56    59    64   0.56750  1.0 1.0
   49    56    59    64  -0.07550 -1.0 2.0
   49    56    59    64   0.20000  1.0 3.0
   49    56    59    90   0.62750  1.0 1.0
   49    56    59    90  -0.30950 -1.0 2.0
   49    56    59    90   0.27300  1.0 3.0
   49    56    61    62  -0.11600  1.0 1.0
   49    56    61    62  -0.09450 -1.0 2.0
   49    56    61    62   0.21250  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    58   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    59   0.15000  1.0 3.0
   50    49    56    61   0.23400  1.0 3.0
   53    49    56    57   0.15000  1.0 3.0
   53    49    56    59   0.56750  1.0 1.0
   53    49    56    59  -0.07550 -1.0 2.0
   53    49    56    59   0.20000  1.0 3.0
   53    49    56    61   0.86500  1.0 1.0
   53    49    56    61  -0.17500 -1.0 2.0
   53    49    56    61   0.20800  1.0 3.0
   53    58    63    67   7.00000 -1.0 2.0
   53    58    63    69   7.00000 -1.0 2.0
   53    58    78    73  -0.15000  1.0 1.0
   53    58    78    73   0.89550 -1.0 2.0
   53    58    78    73  -0.06900  1.0 3.0
   53    58    78    79  -0.64400  1.0 1.0
   53    58    78    79   0.26850 -1.0 2.0
   54    53    58    63   0.00000  1.0 1.0
   54    53    58    78   0.15000  1.0 3.0
   55    53    58    63   0.00000  1.0 1.0
   55    53    58    78   0.15000  1.0 3.0
   58    63    67    68   1.00000 -1.0 2.0
   58    63   -67    73  -0.56150  1.0 1.0
   58    63   -67    73   2.19150 -1.0 2.0
   58    63    69    70   0.00000  1.0 1.0
   58    63    69    38   0.09850  1.0 1.0
   58    63    69    38   0.15250 -1.0 2.0
   58    63    69    38  -0.50650  1.0 3.0
   58    63    69    74   0.09850  1.0 1.0
   58    63    69    74   0.15250 -1.0 2.0
   58    63    69    74  -0.50650  1.0 3.0
   63    58   -78    73  -0.56150  1.0 1.0
   63    58   -78    73   2.19150 -1.0 2.0
   63    58    78    79   1.00000 -1.0 2.0
   63    67   -73    78   2.00000 -1.0 2.0
   63    69    38    33   0.34400  1.0 1.0
   63    69    38    33   0.09450 -1.0 2.0
   63    69    38    33   0.11100  1.0 3.0
   63    69    38    39   0.15000  1.0 3.0
   63    69    38    44   1.05650  1.0 1.0
   63    69    38    44   0.15600 -1.0 2.0
   63    69    38    44   0.53150  1.0 3.0
   63    69    74    75   0.15000  1.0 3.0
   63    69    74    80   0.34400  1.0 1.0
   63    69    74    80   0.09450 -1.0 2.0
   63    69    74    80   0.11100  1.0 3.0
   63    69    74    83   1.05650  1.0 1.0
   63    69    74    83   0.15600 -1.0 2.0
   63    69    74    83   0.53150  1.0 3.0
   67    63    69    70   0.15000  1.0 3.0
   67    63    69    38   0.09700  1.0 1.0
   67    63    69    38   0.15600 -1.0 2.0
   67    63    69    38  -0.50800  1.0 3.0
   67    63    69    74   0.09700  1.0 1.0
   67    63    69    74   0.15600 -1.0 2.0
   67    63    69    74  -0.50800  1.0 3.0
   67    73   -78    58   2.00000 -1.0 2.0
   67    73    78    79   3.00000 -1.0 2.0
   68    67    73    78   3.00000 -1.0 2.0
   78    58   -63    67   7.00000 -1.0 2.0
   78    58    63    69   7.00000 -1.0 2.0
   69    63    67    68  -0.64400  1.0 1.0
   69    63    67    68   0.26850 -1.0 2.0
   69    63    67    73  -0.15000  1.0 1.0
   69    63    67    73   0.89550 -1.0 2.0
   69    63    67    73  -0.06900  1.0 3.0
   69    38    44    45  -0.11600  1.0 1.0
   69    38    44    45  -0.09450 -1.0 2.0
   69    38    44    45   0.21250  1.0 3.0
   69    74    80    81   0.15000  1.0 3.0
   69    74    80    82   0.15000  1.0 3.0
   69    74    80    87   0.56750  1.0 1.0
   69    74    80    87  -0.07550 -1.0 2.0
   69    74    80    87   0.20000  1.0 3.0
   69    74    83    84  -0.11600  1.0 1.0
   69    74    83    84  -0.09450 -1.0 2.0
   69    74    83    84   0.21250  1.0 3.0
   70    69    38    33   0.15000  1.0 3.0
   70    69    38    39   0.15000  1.0 3.0
   70    69    38    44   0.23400  1.0 3.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    80   0.15000  1.0 3.0
   70    69    74    83   0.23400  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    41   0.46850  1.0 1.0
   38    33    37    41   0.08550 -1.0 2.0
   38    33    37    41   0.09800  1.0 3.0
   38    33    51    46   0.36750  1.0 3.0
   38    33    51    52   0.30150 -1.0 2.0
   38    69    74    75   0.15000  1.0 3.0
   38    69    74    80   0.56750  1.0 1.0
   38    69    74    80  -0.07550 -1.0 2.0
   38    69    74    80   0.20000  1.0 3.0
   38    69    74    83   0.86500  1.0 1.0
   38    69    74    83  -0.17500 -1.0 2.0
   38    69    74    83   0.20800  1.0 3.0
   39    38    44    45   0.19450  1.0 3.0
   74    69    38    33   0.56750  1.0 1.0
   74    69    38    33  -0.07550 -1.0 2.0
   74    69    38    33   0.20000  1.0 3.0
   74    69    38    39   0.15000  1.0 3.0
   74    69    38    44   0.86500  1.0 1.0
   74    69    38    44  -0.17500 -1.0 2.0
   74    69    38    44   0.20800  1.0 3.0
   74    80    87    88   0.15000  1.0 3.0
   74    80    87    89   0.15000  1.0 3.0
   74    80    87    91   0.56750  1.0 1.0
   74    80    87    91  -0.07550 -1.0 2.0
   74    80    87    91   0.20000  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    87   0.15000  1.0 3.0
   75    74    83    84   0.19450  1.0 3.0
   80    74    83    84  -0.11600  1.0 1.0
   80    74    83    84  -0.09450 -1.0 2.0
   80    74    83    84   0.21250  1.0 3.0
   80    87    91    92   0.15000  1.0 3.0
   80    87    91    93   0.15000  1.0 3.0
   80    87    91    94   0.56750  1.0 1.0
   80    87    91    94  -0.07550 -1.0 2.0
   80    87    91    94   0.20000  1.0 3.0
   81    80    87    88   0.15000  1.0 3.0
   81    80    87    89   0.15000  1.0 3.0
   81    80    87    91   0.15000  1.0 3.0
   82    80    87    88   0.15000  1.0 3.0
   82    80    87    89   0.15000  1.0 3.0
   82    80    87    91   0.15000  1.0 3.0
   87    91    94    95   0.15000  1.0 3.0
   87    91    94    96   0.15000  1.0 3.0
   87    91    94    97   0.56750  1.0 1.0
   87    91    94    97  -0.07550 -1.0 2.0
   87    91    94    97   0.20000  1.0 3.0
   88    87    91    92   0.15000  1.0 3.0
   88    87    91    93   0.15000  1.0 3.0
   88    87    91    94   0.15000  1.0 3.0
   89    87    91    92   0.15000  1.0 3.0
   89    87    91    93   0.15000  1.0 3.0
   89    87    91    94   0.15000  1.0 3.0
   91    94    97    98   0.15000  1.0 3.0
   91    94    97    99   0.15000  1.0 3.0
   91    94    97   100   0.56750  1.0 1.0
   91    94    97   100  -0.07550 -1.0 2.0
   91    94    97   100   0.20000  1.0 3.0
   92    91    94    95   0.15000  1.0 3.0
   92    91    94    96   0.15000  1.0 3.0
   92    91    94    97   0.15000  1.0 3.0
   93    91    94    95   0.15000  1.0 3.0
   93    91    94    96   0.15000  1.0 3.0
   93    91    94    97   0.15000  1.0 3.0
   94    97   100   101   0.15000  1.0 3.0
   94    97   100   102   0.15000  1.0 3.0
   94    97   100   103   0.15000  1.0 3.0
   95    94    97    98   0.15000  1.0 3.0
   95    94    97    99   0.15000  1.0 3.0
   95    94    97   100   0.15000  1.0 3.0
   96    94    97    98   0.15000  1.0 3.0
   96    94    97    99   0.15000  1.0 3.0
   96    94    97   100   0.15000  1.0 3.0
   98    97   100   101   0.15000  1.0 3.0
   98    97   100   102   0.15000  1.0 3.0
   98    97   100   103   0.15000  1.0 3.0
   99    97   100   101   0.15000  1.0 3.0
   99    97   100   102   0.15000  1.0 3.0
   99    97   100   103   0.15000  1.0 3.0
   83    74    80    81   0.23400  1.0 3.0
   83    74    80    82   0.23400  1.0 3.0
   83    74    80    87   0.86500  1.0 1.0
   83    74    80    87  -0.17500 -1.0 2.0
   83    74    80    87   0.20800  1.0 3.0
   56    49    53    54   0.15000  1.0 3.0
   56    49    53    55   0.15000  1.0 3.0
   56    49    53    58   0.34400  1.0 1.0
   56    49    53    58   0.09450 -1.0 2.0
   56    49    53    58   0.11100  1.0 3.0
   56    59    64    65   0.15000  1.0 3.0
   56    59    64    66   0.15000  1.0 3.0
   56    59    64    71   0.34400  1.0 1.0
   56    59    64    71   0.09450 -1.0 2.0
   56    59    64    71   0.11100  1.0 3.0
   56    59    90    85  -0.25900  1.0 1.0
   56    59    90    85  -0.47000 -1.0 2.0
   56    59    90    85   0.11750  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    64   0.15000  1.0 3.0
   57    56    59    90   0.23400  1.0 3.0
   57    56    61    62   0.19450  1.0 3.0
   59    56    61    62  -0.11600  1.0 1.0
   59    56    61    62  -0.09450 -1.0 2.0
   59    56    61    62   0.21250  1.0 3.0
   59    64    71    72   0.00000  1.0 1.0
   59    64    71    76   0.09850  1.0 1.0
   59    64    71    76   0.15250 -1.0 2.0
   59    64    71    76  -0.50650  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    71   0.15000  1.0 3.0
   60    59    90    85   0.08050  1.0 3.0
   64    59    90    85  -0.25900  1.0 1.0
   64    59    90    85  -0.47000 -1.0 2.0
   64    59    90    85   0.11750  1.0 3.0
   64    71    76    77   7.00000 -1.0 2.0
   64    71   -76    85   7.00000 -1.0 2.0
   65    64    71    72   0.33100  1.0 3.0
   65    64    71    76   0.00000  1.0 1.0
   66    64    71    72   0.33100  1.0 3.0
   66    64    71    76   0.00000  1.0 1.0
   71    76    85    86   1.00000 -1.0 2.0
   71    76    85    90  -0.56150  1.0 1.0
   71    76    85    90   2.19150 -1.0 2.0
   72    71    76    77   7.00000 -1.0 2.0
   72    71    76    85   7.00000 -1.0 2.0
   76    85   -90    59   2.00000 -1.0 2.0
   77    76    85    86   0.00000  1.0 1.0
   77    76    85    90   1.63100 -1.0 2.0
   86    85    90    59   3.00000 -1.0 2.0
   90    59    64    65   0.23400  1.0 3.0
   90    59    64    66   0.23400  1.0 3.0
   90    59   -64    71   0.61850  1.0 1.0
   90    59   -64    71  -0.22750 -1.0 2.0
   90    59   -64    71   0.15300  1.0 3.0
   61    56    59    60   0.23400  1.0 3.0
   61    56    59    64   0.86500  1.0 1.0
   61    56    59    64  -0.17500 -1.0 2.0
   61    56    59    64   0.20800  1.0 3.0
   61    56    59    90   3.69350  1.0 1.0
   61    56    59    90  -1.82950 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    40   1.10000 -1.0 2.0
   46    47    40    37   1.10000 -1.0 2.0
   33    46    51    52  10.50000 -1.0 2.0
   53    78    58    63   1.10000 -1.0 2.0
   67    69    63    58   1.10000 -1.0 2.0
   63    73    67    68  10.50000 -1.0 2.0
   58    73    78    79  10.50000 -1.0 2.0
   64    72    71    76   1.10000 -1.0 2.0
   85    77    76    71   1.10000 -1.0 2.0
   76    90    85    86  10.50000 -1.0 2.0
END
