* LIGAND DATABASE FILE (OPLS2005)
*
001     114   117    207    325     599
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02113    35.20910   138.29188
    3     1 S   H    _H1_     3     1.02098    81.70183   -81.53175
    4     1 S   H    _H2_     4     1.02081    97.53917    26.36092
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C11    36     1.80555    98.15944  -158.21451
   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   _C10    37     1.52452   107.85518  -159.99031
   38    33 S   CM   _C15   110     1.50072   108.01978   -36.24770
   39    38 S   HC   _H15   111     1.08662   117.10447   -59.86432
   40    37 S   NIP  _N5_    38     1.39967   109.04794  -104.45678
   41    40 S   H    _H10    39     1.01853   122.91077   175.09743
   42    37 S   CM   _C9_    49     1.34083   126.99825    75.52179
   43    42 S   HC   _H8_    50     1.08726   117.31571     1.69420
   44    38 S   CM   _C16   112     1.33725   124.07186   120.08968
   45    44 S   HC   _H16   113     1.08403   120.49162  -179.97202
   46    44 S   HC   _H17   114     1.08512   121.48594     0.05935
   47    40 S   CG   _C13    40     1.27494   110.84468    -5.16854
   48    42 S   C5A  _C8_    51     1.43055   124.44359  -179.97202
   49    33 S   CT   _C12    41     1.56310   109.40974    89.86728
   50    49 S   HC   _H9_    42     1.09652   112.80699  -141.05344
   51    47 S   OH   _O33    47     1.32321   120.53693   178.13764
   52    51 S   HO   _H11    48     0.98313   112.97612    -1.71578
   53    48 S   C5BC _C5_    52     1.37744   134.24070  -118.26773
   54    49 S   CT   _C14    43     1.52953   116.04254   -15.65257
   55    54 S   HC   _H12    44     1.08806   109.76983    52.21877
   56    54 S   HC   _H13    45     1.08826   109.70100   -67.87281
   57    54 S   HC   _H14    46     1.08858   109.66801   172.24637
   58    53 S   C5BC _C6_    53     1.41649   107.41094  -179.98022
   59    53 S   CT   _C4_   106     1.47802   126.27189    -0.09065
   60    59 S   HC   _H4_   107     1.10195   111.07437   -89.90547
   61    59 S   HC   _H5_   108     1.10273   111.93400    30.58270
   62    59 S   HC   _H6_   109     1.10320   111.93295   149.58743
   63    58 S   C5A  _C7_    54     1.37750   107.35770    -0.03426
   64    58 S   CT   _C34    97     1.47760   126.30409   179.95154
   65    64 S   HC   _H35    98     1.10508   110.70047  -135.01926
   66    64 S   HC   _H36    99     1.10580   110.70970   -19.51402
   67    48 S   NA   _N4_    55     1.37111   117.93675    61.74132
   68    67 S   H    _H7_    56     1.01192   125.20117     0.12511
   69    63 S   CM   _C17    57     1.40397   134.16856  -179.93439
   70    69 S   HC   _H18    58     1.10085   119.39709    89.96123
   71    64 S   CT   _C35   100     1.53693   113.12777   102.71340
   72    71 S   HC   _H37   101     1.09741   109.20859    60.02638
   73    71 S   HC   _H38   102     1.09729   109.26131   -56.51825
   74    69 S   CM   _C18    59     1.35485   125.46066   -88.32252
   75    71 S   CO3  _C36   103     1.53231   116.02790  -178.31821
   76    75 S   O2Z  _O38   104     1.26510   113.95949   177.33442
   77    75 S   O2Z  _O37   105     1.26056   116.74108    -2.64071
   78    74 S   CM   _C19    60     1.45216   127.37218    -0.02798
   79    78 S   CM   _C20    61     1.33940   109.79423   179.87489
   80    78 S   CT   _C31    88     1.49047   122.72042    -0.21850
   81    80 S   HC   _H31    89     1.09711   109.20727    30.11463
   82    80 S   HC   _H32    90     1.09633   108.31817   146.23494
   83    79 S   CD   _C21    62     1.47186   101.34127     0.00000
   84    79 S   CT   _C30    84     1.47707   133.37090   179.57113
   85    84 S   HC   _H28    85     1.09485   110.61124    89.95914
   86    84 S   HC   _H29    86     1.09650   110.59642   -30.18238
   87    84 S   HC   _H30    87     1.09551   110.66093  -149.81648
   88    80 S   CT   _C32    91     1.52605   112.88383   -92.92389
   89    88 S   HC   _H33    92     1.09753   108.33685   -60.06563
   90    88 S   HC   _H34    93     1.09758   109.69968    56.11339
   91    74 S   NI   _N6_    63     1.37540   123.92055  -179.86438
   92    83 S   CT   _C22    64     1.49523   121.93061   179.33383
   93    92 S   HC   _H19    65     1.09225   108.40319  -149.96315
   94    92 S   HC   _H20    66     1.09378   107.97625   -32.47888
   95    88 S   CO3  _C33    94     1.53382   116.91321   180.00000
   96    95 S   O2Z  _O36    95     1.26525   114.11024  -178.92008
   97    95 S   O2Z  _O35    96     1.26124   116.61316     1.57706
   98    92 S   CT   _C23    67     1.51340   110.39948    88.50124
   99    98 S   HC   _H3_    68     1.09479   111.03974   -53.43894
  100    98 S   CM   _C24    69     1.50648   113.95922  -179.97202
  101   100 S   CM   _C25    70     1.34422   112.68339  -118.10888
  102   100 S   CT   _C29    80     1.49305   119.42060    63.12703
  103   102 S   HC   _H25    81     1.08983   109.80845   -91.45908
  104   102 S   HC   _H26    82     1.09051   109.81292   148.40532
  105   102 S   HC   _H27    83     1.08990   109.84417    28.75186
  106   101 S   C    _C26    71     1.48300   106.69964    -0.65790
  107   106 S   O    _O34    72     1.22034   125.41312  -179.53606
  108   101 S   CM   _C27    75     1.42727   129.97579  -179.86583
  109   108 S   HC   _H22    76     1.09897   120.30733   140.06424
  110    98 S   N    _N7_    73     1.43840   111.12669    66.88581
  111   110 S   H    _H21    74     1.01530   123.59503   -59.82528
  112   108 S   CM   _C28    77     1.35076   120.14670   -40.03334
  113   112 S   HC   _H23    78     1.08441   121.09538  -179.96044
  114   112 S   HC   _H24    79     1.08474   121.24036     0.04846
  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
  19   2   1   1  15  10   4  10   4  10   3   3   1   1   8  11
   7   5   2   1  13   3   2   1   1  17   6   2   1   1  11  10
   5   4   4   1   7   3   5   4   3  10   2   1   1  15  14  11
   5   4  12   5   2   1   1   5   4   3   4  10   5   4   2   1
   1  12   6  12  13   6   2   1   1   6   3   5   3   1   1   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    49    50    54    42    38    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    49    50    54    55    56    57    51    42    43    48    38    39    44    45    46  
   35    36  
   36  
    0  
   40    41    47    49    50    54    51    42    43    48    53    67    38    39    44  
   39    44    45    46    40    42    47    49    50    54  
   44    45    46    49  
   41    47    49    50    54    51    52    42    43    48  
   47    49    51    42  
   43    48    53    58    63    67    68    59    47    49  
   48    53    67  
   45    46    49  
   46  
    0  
   49    50    54    55    56    57    51    52  
   53    58    63    67    68    69    64    59    60    61    62  
   50    54    55    56    57    51    52  
   54    55    56    57    51  
   52    54  
    0  
   58    63    67    68    69    64    65    66    71    59    60    61    62  
   55    56    57  
   56    57  
   57  
    0  
   63    67    68    69    70    74    64    65    66    71    72    73    75    59    60    61    62  
   60    61    62    63    64    67  
   61    62  
   62  
    0  
   67    68    69    70    74    78    91    64    65    66    71  
   65    66    71    72    73    75    76    77    67    69  
   66    71    72    73    75  
   71    72    73    75  
   68    69    70    74  
   69  
   70    74    78    79    83    91    80  
   74    78    91  
   72    73    75    76    77  
   73    75    76    77  
   75    76    77  
   78    79    83    91    92    84    80    81    82    88  
   76    77  
   77  
    0  
   79    83    91    92    84    85    86    87    80    81    82    88    89    90    95  
   83    91    92    93    94    98    84    85    86    87    80    81    82    88  
   81    82    88    89    90    95    96    97    83    84    91  
   82    88    89    90    95  
   88    89    90    95  
   91    92    93    94    98    99   100   110    84    85    86    87  
   85    86    87    91    92  
   86    87  
   87  
    0  
   89    90    95    96    97  
   90    95    96    97  
   95    96    97  
   92    93    94    98  
   93    94    98    99   100   101   106   110   111   102  
   94    98    99   100   110  
   98    99   100   110  
   96    97  
   97  
    0  
   99   100   101   106   107   110   111   108   102   103   104   105  
  100   101   106   110   111   102  
  101   106   107   110   111   108   109   112   102   103   104   105  
  106   107   110   111   108   109   112   113   114   102   103   104   105  
  103   104   105   106   108   110  
  104   105  
  105  
    0  
  107   110   111   108   109   112  
  110   111   108  
  109   112   113   114   110  
  112   113   114  
  111  
    0  
  113   114  
  114  
    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   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.2500   0.1700  -0.139000   2.2900   2.0360   0.003973653   1.685851020
   41   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.285800   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.275700   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.503000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.005000   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   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   68   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   75   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   92   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   98   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  101   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  108   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  109   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  110   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  111   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  112   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  113   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  114   2.4200   0.0300   0.115000   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    49   268.000  1.529
   33    38   317.000  1.510
   37    40   335.000  1.413
   37    42   549.000  1.340
   40    41   490.000  1.015
   40    47   635.000  1.286
   47    49   290.000  1.488
   47    51   440.000  1.374
   49    50   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   51    52   553.000  0.945
   42    43   340.000  1.080
   42    48   375.000  1.423
   48    53   546.000  1.367
   48    67   427.000  1.381
   53    58   469.000  1.424
   53    59   285.000  1.502
   58    63   546.000  1.367
   58    64   285.000  1.502
   63    67   427.000  1.381
   63    69   375.000  1.423
   67    68   434.000  1.010
   69    70   340.000  1.080
   69    74   549.000  1.340
   74    78   380.000  1.444
   74    91   405.000  1.380
   78    79   549.000  1.340
   78    80   317.000  1.510
   79    83   320.000  1.464
   79    84   317.000  1.510
   83    91   500.000  1.261
   83    92   270.000  1.508
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    98   268.000  1.529
   98    99   340.000  1.090
   98   100   317.000  1.510
   98   110   337.000  1.449
  100   101   549.000  1.340
  100   102   317.000  1.510
  101   106   410.000  1.444
  101   108   380.000  1.444
  106   107   570.000  1.229
  106   110   490.000  1.335
  110   111   434.000  1.010
  108   109   340.000  1.080
  108   112   549.000  1.340
  112   113   340.000  1.080
  112   114   340.000  1.080
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    95   317.000  1.522
   95    96   656.000  1.250
   95    97   656.000  1.250
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   317.000  1.522
   75    76   656.000  1.250
   75    77   656.000  1.250
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   38    39   340.000  1.080
   38    44   549.000  1.340
   44    45   340.000  1.080
   44    46   340.000  1.080
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    49    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    70.00000  115.00000
   33    37    42    70.00000  124.00000
   33    49    47    70.00000  109.02000
   33    49    50    37.50000  110.70000
   33    49    54    58.35000  112.70000
   33    38    39    35.00000  117.00000
   33    38    44    70.00000  124.00000
   37    40    41    45.00000  118.00000
   37    40    47    70.00000  118.46000
   37    42    43    35.00000  120.00000
   37    42    48    55.00000  128.24000
   40    47    49    70.00000  120.65200
   40    47    51   100.00000  117.62000
   47    40    41    45.00000  118.89500
   47    49    50    45.00000  109.33400
   47    49    54    70.00000  109.02000
   47    51    52    70.00000  105.55000
   49    33    37    70.00000  112.02700
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   54    49    50    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   51    47    49    85.00000  110.80600
   42    37    40    70.00000  113.56000
   42    48    53    50.00000  133.16000
   42    48    67    70.00000  120.38000
   48    42    43    40.00000  117.26300
   48    53    58    70.00000  107.30000
   48    53    59    60.00000  130.00000
   48    67    63    70.00000  109.80000
   48    67    68    35.00000  120.00000
   53    58    63    70.00000  107.30000
   53    58    64    60.00000  130.00000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    62    35.00000  109.50000
   58    63    67    70.00000  107.70000
   58    63    69    50.00000  133.16000
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    71    70.00000  112.17500
   63    67    68    35.00000  120.00000
   63    69    70    40.00000  117.26300
   63    69    74    55.00000  128.24000
   67    48    53    70.00000  107.70000
   69    63    67    70.00000  120.38000
   69    74    78    70.00000  123.01800
   69    74    91    70.00000  120.83400
   74    69    70    35.00000  120.00000
   74    78    79    70.00000  123.01800
   74    78    80    70.00000  124.00000
   74    91    83    75.00000  115.77100
   78    79    83    60.00000  120.31500
   78    79    84    70.00000  124.00000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    88    70.00000  112.02700
   79    83    91    70.00000  121.86000
   79    83    92    65.00000  117.24000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   83    92    93    45.00000  109.49600
   83    92    94    45.00000  109.49600
   83    92    98    70.00000  111.76100
   91    74    78    70.00000  120.83400
   92    83    91    65.00000  122.10100
   92    98    99    37.50000  110.70000
   92    98   100    70.00000  112.02700
   92    98   110    70.00000  110.72300
   94    92    93    33.00000  107.80000
   98    92    93    37.50000  110.70000
   98    92    94    37.50000  110.70000
   98   100   101    70.00000  124.00000
   98   100   102    65.00000  117.92700
   98   110   106    50.00000  121.90000
   98   110   111    38.00000  118.40000
  100    98    99    35.00000  109.50000
  100   101   106    70.00000  118.70000
  100   101   108    70.00000  123.01800
  100   102   103    35.00000  109.50000
  100   102   104    35.00000  109.50000
  100   102   105    35.00000  109.50000
  101   106   107    80.00000  125.30000
  101   106   110    80.00000  111.56200
  101   108   109    35.00000  120.00000
  101   108   112    70.00000  123.01800
  106   110   111    35.00000  119.80000
  110    98    99    35.00000  109.50000
  110    98   100    75.00000  110.78400
  110   106   107    80.00000  122.90000
  108   101   106    70.00000  118.70000
  108   112   113    35.00000  120.00000
  108   112   114    35.00000  120.00000
  112   108   109    35.00000  120.00000
  114   112   113    35.00000  117.00000
  102   100   101    70.00000  124.00000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   84    79    83    65.00000  117.22000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   80    78    79    70.00000  124.00000
   80    88    89    37.50000  110.70000
   80    88    90    37.50000  110.70000
   80    88    95    70.00000  109.69300
   82    80    81    33.00000  107.80000
   88    80    81    37.50000  110.70000
   88    80    82    37.50000  110.70000
   88    95    96    70.00000  117.00000
   88    95    97    70.00000  117.00000
   90    88    89    33.00000  107.80000
   95    88    89    35.00000  109.50000
   95    88    90    35.00000  109.50000
   97    95    96    80.00000  126.00000
   64    58    63    60.00000  130.00000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    75    70.00000  109.69300
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    75    76    70.00000  117.00000
   71    75    77    70.00000  117.00000
   73    71    72    33.00000  107.80000
   75    71    72    35.00000  109.50000
   75    71    73    35.00000  109.50000
   77    75    76    80.00000  126.00000
   59    53    58    60.00000  130.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   38    33    37    70.00000  110.12100
   38    33    49    70.00000  112.02700
   38    44    45    35.00000  120.00000
   38    44    46    35.00000  120.00000
   44    38    39    35.00000  120.00000
   46    44    45    35.00000  117.00000
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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    49    47   0.56750  1.0 1.0
   29    33    49    47  -0.07550 -1.0 2.0
   29    33    49    47   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    54   0.44750  1.0 1.0
   29    33    49    54  -0.17800 -1.0 2.0
   29    33    49    54   0.20200  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   33    37    40    41   5.00000 -1.0 2.0
   33    37   -40    47   5.00000 -1.0 2.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    48   7.00000 -1.0 2.0
   33    49    54    55   0.15000  1.0 3.0
   33    49    54    56   0.15000  1.0 3.0
   33    49    54    57   0.15000  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   37    33   -49    47   0.31000  1.0 1.0
   37    33   -49    47   0.14700 -1.0 2.0
   37    33   -49    47   0.07550  1.0 3.0
   37    33    49    50   0.15000  1.0 3.0
   37    33    49    54   0.34400  1.0 1.0
   37    33    49    54   0.09450 -1.0 2.0
   37    33    49    54   0.11100  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    44  -0.28300  1.0 1.0
   37    33    38    44   0.26700 -1.0 2.0
   37    33    38    44  -0.63300  1.0 3.0
   37    40   -47    49   2.00000 -1.0 2.0
   37    40    47    51   2.00000 -1.0 2.0
   37    42    48    53   0.15800  1.0 1.0
   37    42    48    53   1.85350 -1.0 2.0
   37    42    48    53  -0.48700  1.0 3.0
   37    42    48    67   0.11450  1.0 1.0
   37    42    48    67   1.85100 -1.0 2.0
   37    42    48    67  -0.49050  1.0 3.0
   40    37    42    43   7.00000 -1.0 2.0
   40    37    42    48   7.00000 -1.0 2.0
   40    47   -49    33   0.00000  1.0 1.0
   40    47    49    50   0.00000  1.0 1.0
   40    47    49    54   0.00000  1.0 1.0
   40    47    51    52   1.50000 -1.0 2.0
   41    40    47    49   2.00000 -1.0 2.0
   41    40    47    51   2.00000 -1.0 2.0
   47    49    54    55   0.15000  1.0 3.0
   47    49    54    56   0.15000  1.0 3.0
   47    49    54    57   0.15000  1.0 3.0
   49    33   -37    40   0.09700  1.0 1.0
   49    33   -37    40   0.15600 -1.0 2.0
   49    33   -37    40  -0.50800  1.0 3.0
   49    33    37    42   0.09850  1.0 1.0
   49    33    37    42   0.15250 -1.0 2.0
   49    33    37    42  -0.50650  1.0 3.0
   49    33    38    39   0.00000  1.0 1.0
   49    33    38    44   0.09850  1.0 1.0
   49    33    38    44   0.15250 -1.0 2.0
   49    33    38    44  -0.50650  1.0 3.0
   49    47    51    52   1.50000 -1.0 2.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    57   0.15000  1.0 3.0
   51    47    49    33   0.00000  1.0 1.0
   51    47    49    50   0.00000  1.0 1.0
   51    47    49    54   0.00000  1.0 1.0
   42    37    40    41   5.00000 -1.0 2.0
   42    37    40    47   5.00000 -1.0 2.0
   42    48    53    58   3.62500 -1.0 2.0
   42    48    53    59   3.62500 -1.0 2.0
   42    48    67    63   3.62500 -1.0 2.0
   42    48    67    68   2.00000 -1.0 2.0
   43    42    48    53   0.56550  1.0 3.0
   43    42    48    67   0.54250  1.0 3.0
   48    53   -58    63   3.62500 -1.0 2.0
   48    53    58    64   3.62500 -1.0 2.0
   48    53    59    60   0.00000  1.0 1.0
   48    53    59    61   0.00000  1.0 1.0
   48    53    59    62   0.00000  1.0 1.0
   53    48   -67    63   3.62500 -1.0 2.0
   53    48    67    68   2.00000 -1.0 2.0
   53    58   -63    67   3.62500 -1.0 2.0
   53    58    63    69   3.62500 -1.0 2.0
   53    58    64    65   0.00000  1.0 1.0
   53    58    64    66   0.00000  1.0 1.0
   53    58    64    71   0.04150 -1.0 2.0
   58    53    59    60   0.00000  1.0 1.0
   58    53    59    61   0.00000  1.0 1.0
   58    53    59    62   0.00000  1.0 1.0
   58    63   -67    48   3.62500 -1.0 2.0
   58    63    67    68   2.00000 -1.0 2.0
   58    63    69    70   0.56550  1.0 3.0
   58    63    69    74   0.15800  1.0 1.0
   58    63    69    74   1.85350 -1.0 2.0
   58    63    69    74  -0.48700  1.0 3.0
   58    64    71    72   0.43200  1.0 3.0
   58    64    71    73   0.43200  1.0 3.0
   58    64    71    75  -2.95950  1.0 1.0
   58    64    71    75   0.02300  1.0 3.0
   63    58    64    65   0.00000  1.0 1.0
   63    58    64    66   0.00000  1.0 1.0
   63    58    64    71   0.04150 -1.0 2.0
   63    69    74    78   7.00000 -1.0 2.0
   63    69    74    91   7.00000 -1.0 2.0
   67    48   -53    58   3.62500 -1.0 2.0
   67    48    53    59   3.62500 -1.0 2.0
   67    63    69    70   0.54250  1.0 3.0
   67    63    69    74   0.11450  1.0 1.0
   67    63    69    74   1.85100 -1.0 2.0
   67    63    69    74  -0.49050  1.0 3.0
   69    63    67    48   3.62500 -1.0 2.0
   69    63    67    68   2.00000 -1.0 2.0
   69    74    78    79   0.28850  1.0 1.0
   69    74    78    79   2.61350 -1.0 2.0
   69    74    78    79   0.78400  1.0 3.0
   69    74    78    80  -0.18600  1.0 3.0
   69    74    91    83   1.00000 -1.0 2.0
   70    69    74    78   7.00000 -1.0 2.0
   70    69    74    91   7.00000 -1.0 2.0
   74    78   -79    83   7.00000 -1.0 2.0
   74    78    79    84   7.00000 -1.0 2.0
   74    78    80    81   0.00000  1.0 1.0
   74    78    80    82   0.00000  1.0 1.0
   74    78    80    88   0.98200  1.0 1.0
   74    78    80    88  -0.11900 -1.0 2.0
   74    78    80    88   0.24250  1.0 3.0
   78    74   -91    83   1.00000 -1.0 2.0
   78    79   -83    91   1.09650  1.0 1.0
   78    79   -83    91   0.48950 -1.0 2.0
   78    79   -83    91   0.49400  1.0 3.0
   78    79    83    92   0.69550 -1.0 2.0
   78    79    84    85   0.00000  1.0 1.0
   78    79    84    86   0.00000  1.0 1.0
   78    79    84    87   0.00000  1.0 1.0
   78    80    88    89   0.15000  1.0 3.0
   78    80    88    90   0.15000  1.0 3.0
   78    80    88    95  -0.98800  1.0 1.0
   78    80    88    95   0.48800 -1.0 2.0
   78    80    88    95   0.76800  1.0 3.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.00000  1.0 1.0
   79    78    80    88   0.09850  1.0 1.0
   79    78    80    88   0.15250 -1.0 2.0
   79    78    80    88  -0.50650  1.0 3.0
   79    83   -91    74   6.00000 -1.0 2.0
   79    83    92    93   0.00000  1.0 1.0
   79    83    92    94   0.00000  1.0 1.0
   79    83    92    98   0.09850  1.0 1.0
   79    83    92    98   0.15250 -1.0 2.0
   79    83    92    98  -0.50650  1.0 3.0
   83    79    84    85   0.00000  1.0 1.0
   83    79    84    86   0.00000  1.0 1.0
   83    79    84    87   0.00000  1.0 1.0
   83    92    98    99   0.15000  1.0 3.0
   83    92    98   100   0.31000  1.0 1.0
   83    92    98   100   0.14700 -1.0 2.0
   83    92    98   100   0.07550  1.0 3.0
   83    92    98   110   0.10350  1.0 1.0
   83    92    98   110  -0.04400 -1.0 2.0
   83    92    98   110   0.08800  1.0 3.0
   91    74   -78    79  -0.18600  1.0 3.0
   91    74    78    80   1.08500 -1.0 2.0
   91    83    92    93   0.00000  1.0 1.0
   91    83    92    94   0.00000  1.0 1.0
   91    83    92    98   0.00000  1.0 1.0
   92    83    91    74   6.00000 -1.0 2.0
   92    98   100   101   0.09850  1.0 1.0
   92    98   100   101   0.15250 -1.0 2.0
   92    98   100   101  -0.50650  1.0 3.0
   92    98   100   102   0.46850  1.0 1.0
   92    98   100   102   0.08550 -1.0 2.0
   92    98   100   102   0.09800  1.0 3.0
   92    98   110   106  -0.43950  1.0 1.0
   92    98   110   106  -0.08100 -1.0 2.0
   92    98   110   106   0.03350  1.0 3.0
   92    98   110   111   0.00000  1.0 1.0
   93    92    98    99   0.15000  1.0 3.0
   93    92    98   100   0.15000  1.0 3.0
   93    92    98   110   0.15000  1.0 3.0
   94    92    98    99   0.15000  1.0 3.0
   94    92    98   100   0.15000  1.0 3.0
   94    92    98   110   0.15000  1.0 3.0
   98   100  -101   106   7.00000 -1.0 2.0
   98   100   101   108   7.00000 -1.0 2.0
   98   100   102   103   0.34800  1.0 3.0
   98   100   102   104   0.34800  1.0 3.0
   98   100   102   105   0.34800  1.0 3.0
   99    98   100   101   0.00000  1.0 1.0
   99    98   100   102   0.34800  1.0 3.0
   99    98   110   106   0.00000  1.0 1.0
   99    98   110   111   0.00000  1.0 1.0
  100    98  -110   106  -0.19250  1.0 1.0
  100    98  -110   106  -0.00500 -1.0 2.0
  100    98  -110   106   0.17000  1.0 3.0
  100    98   110   111   0.00000  1.0 1.0
  100   101   106   107   1.00000 -1.0 2.0
  100   101  -106   110   0.49500  1.0 1.0
  100   101  -106   110   1.31600 -1.0 2.0
  100   101  -106   110  -0.02300  1.0 3.0
  100   101   108   109  -0.18600  1.0 3.0
  100   101   108   112   0.28850  1.0 1.0
  100   101   108   112   2.61350 -1.0 2.0
  100   101   108   112   0.78400  1.0 3.0
  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
  101   106  -110    98   1.49850  1.0 1.0
  101   106  -110    98   1.53950 -1.0 2.0
  101   106   110   111   2.56700 -1.0 2.0
  101   108   112   113   7.00000 -1.0 2.0
  101   108   112   114   7.00000 -1.0 2.0
  106   101   108   109   0.00000  1.0 1.0
  106   101   108   112  -0.18600  1.0 3.0
  107   106   110    98   3.04450 -1.0 2.0
  107   106   110   111   2.45000 -1.0 2.0
  110    98  -100   101   0.62150  1.0 1.0
  110    98  -100   101   0.42850 -1.0 2.0
  110    98  -100   101  -0.68200  1.0 3.0
  110    98   100   102   0.09700  1.0 1.0
  110    98   100   102   0.15600 -1.0 2.0
  110    98   100   102  -0.50800  1.0 3.0
  108   101   106   107   1.00000 -1.0 2.0
  108   101   106   110   0.49500  1.0 1.0
  108   101   106   110   1.31600 -1.0 2.0
  108   101   106   110  -0.02300  1.0 3.0
  109   108   112   113   7.00000 -1.0 2.0
  109   108   112   114   7.00000 -1.0 2.0
  102   100   101   106   7.00000 -1.0 2.0
  102   100   101   108   7.00000 -1.0 2.0
   84    79    83    91   7.00000 -1.0 2.0
   84    79    83    92   7.00000 -1.0 2.0
   80    78    79    83   7.00000 -1.0 2.0
   80    78    79    84   7.00000 -1.0 2.0
   80    88    95    96   0.41150 -1.0 2.0
   80    88    95    97   0.41150 -1.0 2.0
   81    80    88    89   0.15000  1.0 3.0
   81    80    88    90   0.15000  1.0 3.0
   81    80    88    95  -0.11250  1.0 3.0
   82    80    88    89   0.15000  1.0 3.0
   82    80    88    90   0.15000  1.0 3.0
   82    80    88    95  -0.11250  1.0 3.0
   89    88    95    96   0.00000  1.0 1.0
   89    88    95    97   0.00000  1.0 1.0
   90    88    95    96   0.00000  1.0 1.0
   90    88    95    97   0.00000  1.0 1.0
   64    58    63    67   3.62500 -1.0 2.0
   64    58    63    69   3.62500 -1.0 2.0
   64    71    75    76   0.41150 -1.0 2.0
   64    71    75    77   0.41150 -1.0 2.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    75  -0.11250  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    75  -0.11250  1.0 3.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    77   0.00000  1.0 1.0
   73    71    75    76   0.00000  1.0 1.0
   73    71    75    77   0.00000  1.0 1.0
   59    53    58    63   3.62500 -1.0 2.0
   59    53    58    64   3.62500 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33    37    42  -0.28300  1.0 1.0
   38    33    37    42   0.26700 -1.0 2.0
   38    33    37    42  -0.63300  1.0 3.0
   38    33    49    47   0.31000  1.0 1.0
   38    33    49    47   0.14700 -1.0 2.0
   38    33    49    47   0.07550  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    54   0.34400  1.0 1.0
   38    33    49    54   0.09450 -1.0 2.0
   38    33    49    54   0.11100  1.0 3.0
   39    38    44    45   7.00000 -1.0 2.0
   39    38    44    46   7.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    42   1.10000 -1.0 2.0
   37    41    40    47   1.00000 -1.0 2.0
   49    51    47    40  10.50000 -1.0 2.0
   48    43    42    37   1.10000 -1.0 2.0
   53    67    48    42   4.00000 -1.0 2.0
   58    59    53    48   4.00000 -1.0 2.0
   63    64    58    53   4.00000 -1.0 2.0
   69    67    63    58   4.00000 -1.0 2.0
   68    48    67    63   1.00000 -1.0 2.0
   63    70    69    74   1.10000 -1.0 2.0
   78    91    74    69   1.10000 -1.0 2.0
   74    80    78    79   1.10000 -1.0 2.0
   83    84    79    78   1.10000 -1.0 2.0
   79    92    83    91  10.50000 -1.0 2.0
   98   102   100   101   1.10000 -1.0 2.0
  106   108   101   100   1.10000 -1.0 2.0
  101   110   106   107  10.50000 -1.0 2.0
  111   106   110    98   1.00000 -1.0 2.0
  101   109   108   112  15.00000 -1.0 2.0
  113   114   112   108  15.00000 -1.0 2.0
   96    88    95    97  10.50000 -1.0 2.0
   76    71    75    77  10.50000 -1.0 2.0
   33    39    38    44  15.00000 -1.0 2.0
   45    46    44    38  15.00000 -1.0 2.0
END
