* LIGAND DATABASE FILE (OPLS2005)
*
001     108   110    194    299     569
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02103   104.77116   -33.03566
    3     1 S   H    _H1_     3     1.02090    67.60271    71.42958
    4     1 S   H    _H2_     4     1.02110    45.26799  -134.89539
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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     1.85524    97.05355   161.83933
   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   _C8_    37     1.51530   106.59078   -59.97255
   38    33 S   OH   _O35   107     1.43128   108.19011    58.20864
   39    38 S   HO   _H11   108     0.96780   106.19215   -56.02164
   40    37 S   CMA  _C9_    38     1.49602   117.20225   -73.71664
   41    40 S   OM   _O33    39     1.23076   120.57977   145.90001
   42    37 S   CO4  _C7_    95     1.34158   126.42825   107.89834
   43    42 S   O    _O40    96     1.26669   129.58073    -1.55053
   44    40 S   CT   _C10    40     1.52318   117.20030   -37.40866
   45    44 S   HC   _H10    41     1.09757   106.58263   -87.99693
   46    42 S   CT   _C5_    97     1.54505   118.94972   178.48936
   47    46 S   HC   _H6_    98     1.10240   110.21329   -29.99012
   48    44 S   CO4  _C11    42     1.52801   114.55024    29.75661
   49    48 S   O    _O34    43     1.23284   121.25695   145.99311
   50    44 S   CT   _C16    53     1.52904   110.05810   154.93554
   51    50 S   HC   _H18    54     1.09367   109.34384    34.12431
   52    50 S   HC   _H19    55     1.09411   109.33337   -81.93414
   53    46 S   CT   _C4_    99     1.53553   112.12080  -147.67424
   54    53 S   HC   _H3_   100     1.09610   110.38099   -59.76365
   55    53 S   HC   _H4_   101     1.09465   111.01300  -179.10387
   56    53 S   HC   _H5_   102     1.09583   112.00042    59.96033
   57    46 S   CT   _C6_   103     1.53612   112.09374    87.63992
   58    57 S   HC   _H7_   104     1.09559   110.40811    59.75701
   59    57 S   HC   _H8_   105     1.09520   110.98798   179.10191
   60    57 S   HC   _H9_   106     1.09565   111.99963   -59.95013
   61    33 S   CT   _C12    44     1.56320   113.25916   177.58670
   62    50 S   CA   _C17    56     1.50272   111.57013   156.06949
   63    61 S   CT   _C14    45     1.54782   111.69072  -175.92965
   64    63 S   HC   _H12    46     1.08207   108.76849    60.19068
   65    63 S   HC   _H13    47     1.08156   108.75332   -59.81362
   66    63 S   HC   _H14    48     1.08115   108.77296  -179.76510
   67    61 S   CT   _C15    49     1.54671   112.16663   -56.61660
   68    67 S   HC   _H15    50     1.08151   108.84651   -58.37908
   69    67 S   HC   _H16    51     1.08253   108.81773  -178.42132
   70    67 S   HC   _H17    52     1.08267   108.82962    61.64241
   71    62 S   CA   _C18    57     1.39500   119.89868   119.95161
   72    71 S   CA   _C19    58     1.39539   119.96614   179.97202
   73    72 S   HA   _H20    59     1.08818   119.91481  -179.95577
   74    71 S   OH   _O39    93     1.36243   120.82505     0.03956
   75    74 S   HO   _H36    94     0.97032   110.18976   179.89347
   76    72 S   CA   _C20    60     1.39450   120.02794     0.00000
   77    76 S   CA   _C21    61     1.39452   119.98449     0.01978
   78    76 S   OS   _O38    78     1.36386   119.01984   179.92867
   79    62 S   CA   _C22    62     1.39522   120.10485   -60.02210
   80    77 S   CO4  _C23    65     1.45894   119.93823   179.98022
   81    80 S   O    _O37    66     1.23764   120.10438    90.01084
   82    78 S   CT   _C30    79     1.42543   116.97588   -59.96559
   83    82 S   HC   _H27    80     1.09513   107.79529   -30.04839
   84    82 S   HC   _H28    81     1.09046   108.12843    86.02891
   85    79 S   OH   _O36    63     1.36464   119.87700    -0.02798
   86    85 S   HO   _H21    64     0.96949   110.07715     0.04846
   87    80 S   CA   _C24    67     1.49203   122.24729   -89.99693
   88    82 S   CM   _C31    82     1.49705   109.46596  -148.83478
   89    88 S   HC   _H29    83     1.08984   113.95274    58.29680
   90    87 S   CA   _C25    68     1.39499   119.97650   180.00000
   91    90 S   HA   _H22    69     1.08703   120.59182     0.01978
   92    88 S   CM   _C32    84     1.34598   128.15532  -122.11019
   93    90 S   CA   _C26    70     1.39490   120.01121   180.00000
   94    93 S   HA   _H23    71     1.08628   120.01939  -179.98022
   95    92 S   CT   _C33    85     1.50658   120.28997  -179.78694
   96    95 S   HC   _H30    86     1.09403   110.23477    89.95889
   97    95 S   HC   _H31    87     1.09490   110.22921  -150.18250
   98    95 S   HC   _H32    88     1.09482   112.43784   -30.09884
   99    92 S   CT   _C34    89     1.50240   125.50002     0.25717
  100    99 S   HC   _H33    90     1.09441   110.02199    89.98618
  101    99 S   HC   _H34    91     1.09091   113.77365  -149.53552
  102    99 S   HC   _H35    92     1.09622   109.97957   -29.21937
  103    93 S   CA   _C27    72     1.39450   119.98369     0.04423
  104   103 S   HA   _H24    73     1.08603   119.99734  -179.98022
  105   103 S   CA   _C28    74     1.39499   120.00514    -0.04846
  106   105 S   HA   _H25    75     1.08631   119.96696  -179.97202
  107    87 S   CA   _C29    76     1.39450   120.01848     0.01978
  108   107 S   HA   _H26    77     1.08707   120.66370    -0.03956
  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  10   5   4   3
  20   2   1   1  17   7   1  13   5  13   4  12   7   9   8  14
   4  10   4   3   7   3   2   1   3   2   1   1   8  11   7   3
   2   1   3   2   1   1   9   9   4   3   1  11  10   8   5   9
   3   7   4   3   1   1   9  10   3   8   4   8   6   3   7   3
   2   1   3   2   1   1   5   3   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    61    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    61    63    67    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    48    49    61    63    64    65    66    67    68    69    70    42    43    46    38    39  
   35    36  
   36  
    0  
   40    41    44    45    48    61    63    67    50    42    43    46    47    53    57    38    39  
   39    40    42    48    61    63    67  
   61  
   41    44    45    48    49    61    50    51    52    62    42    43    46  
   44    45    48    50    42  
   43    46    47    53    54    55    56    57    58    59    60    44    61  
   46    47    53    57  
   45    48    49    61    63    67    50    51    52    62    71    79  
   48    49    61    50    51    52    62  
   47    53    54    55    56    57    58    59    60  
   53    54    55    56    57    58    59    60  
   49    61    63    64    65    66    67    68    69    70    50    51    52    62  
   61    63    67    50  
   51    52    62    71    72    77    79    85    74    61  
   52    62    71    79  
   62    71    79  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57  
   58    59    60  
   59    60  
   60  
    0  
   63    64    65    66    67    68    69    70  
   71    72    73    76    77    79    85    86    80    74    75  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    76    77    79    85    78    74    75  
   73    76    77    79    80    78    82    74    75  
   76    77    78    74  
   75    76    79  
    0  
   77    79    85    80    81    87    78    82    83    84    88  
   79    85    86    80    81    87    90   107    78    82  
   82    83    84    88    89    92    79    80  
   85    86    80    81    87  
   81    87    90    91    93   105   107   108    85  
   87    90   107  
   83    84    88    89    92    95    99  
   84    88    89    92  
   88    89    92  
   86  
    0  
   90    91    93    94   103   105   106   107   108  
   89    92    95    96    97    98    99   100   101   102  
   92    95    99  
   91    93    94   103   104   105   107   108  
   93    94   103   107  
   95    96    97    98    99   100   101   102  
   94   103   104   105   106   107  
  103   104   105  
   96    97    98    99   100   101   102  
   97    98    99  
   98    99  
   99  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107   108  
  105   106   107  
  106   107   108  
  107   108  
  108  
    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   0.432500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   88   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   89   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  104   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  105   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  106   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  107   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  108   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    61   268.000  1.529
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   320.000  1.462
   40    41   745.000  1.250
   40    44   270.000  1.512
   44    45   340.000  1.090
   44    48   317.000  1.522
   44    50   268.000  1.529
   48    49   570.000  1.229
   48    61   317.000  1.522
   61    63   268.000  1.529
   61    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    62   317.000  1.510
   62    71   469.000  1.400
   62    79   469.000  1.400
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    77   469.000  1.400
   76    78   450.000  1.364
   77    79   469.000  1.400
   77    80   310.000  1.470
   79    85   450.000  1.364
   85    86   553.000  0.945
   80    81   570.000  1.229
   80    87   310.000  1.470
   87    90   469.000  1.400
   87   107   469.000  1.400
   90    91   367.000  1.080
   90    93   469.000  1.400
   93    94   367.000  1.080
   93   103   469.000  1.400
  103   104   367.000  1.080
  103   105   469.000  1.400
  105   106   367.000  1.080
  105   107   469.000  1.400
  107   108   367.000  1.080
   78    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    88   317.000  1.510
   88    89   340.000  1.080
   88    92   549.000  1.340
   92    95   317.000  1.510
   92    99   317.000  1.510
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   74    75   553.000  0.945
   42    43   570.000  1.229
   42    46   317.000  1.522
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    57   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   38    39   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    61    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  116.34900
   33    61    48    63.00000  111.10000
   33    61    63    58.35000  112.70000
   33    61    67    58.35000  112.70000
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    44    65.00000  122.18000
   37    42    43    80.00000  123.72100
   37    42    46    65.00000  118.62400
   40    44    45    45.00000  110.52000
   40    44    48    70.00000  109.06800
   40    44    50    70.00000  112.02700
   44    40    41    85.00000  112.85300
   44    48    49    80.00000  120.40000
   44    48    61    70.00000  116.00000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    62    70.00000  112.17500
   48    44    45    35.00000  109.50000
   48    61    63    63.00000  111.10000
   48    61    67    63.00000  111.10000
   61    33    37    70.00000  112.02700
   61    48    49    80.00000  120.40000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    66    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    70    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    61    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    48    63.00000  111.10000
   50    62    71    70.00000  120.00000
   50    62    79    70.00000  120.00000
   52    50    51    33.00000  107.80000
   62    50    51    35.00000  109.50000
   62    50    52    35.00000  109.50000
   62    71    72    63.00000  120.00000
   62    71    74    70.00000  120.00000
   62    79    77    63.00000  120.00000
   62    79    85    70.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    76    63.00000  120.00000
   71    74    75    35.00000  113.00000
   72    76    77    63.00000  120.00000
   72    76    78    70.00000  120.00000
   76    72    73    35.00000  120.00000
   76    77    79    63.00000  120.00000
   76    77    80    60.00000  119.52600
   76    78    82    75.00000  111.00000
   77    79    85    70.00000  120.00000
   77    80    81    75.00000  123.78400
   77    80    87    65.00000  116.00000
   79    62    71    63.00000  120.00000
   79    85    86    35.00000  113.00000
   80    77    79    60.00000  119.52600
   80    87    90    60.00000  119.52600
   80    87   107    60.00000  119.52600
   87    80    81    75.00000  123.78400
   87    90    91    35.00000  120.00000
   87    90    93    63.00000  120.00000
   87   107   105    63.00000  120.00000
   87   107   108    35.00000  120.00000
   90    93    94    35.00000  120.00000
   90    93   103    63.00000  120.00000
   93    90    91    35.00000  120.00000
   93   103   104    35.00000  120.00000
   93   103   105    63.00000  120.00000
  103    93    94    35.00000  120.00000
  103   105   106    35.00000  120.00000
  103   105   107    63.00000  120.00000
  105   103   104    35.00000  120.00000
  105   107   108    35.00000  120.00000
  107    87    90    63.00000  120.00000
  107   105   106    35.00000  120.00000
   78    76    77    70.00000  120.00000
   78    82    83    35.00000  109.50000
   78    82    84    35.00000  109.50000
   78    82    88    85.00000  110.90400
   82    88    89    35.00000  117.00000
   82    88    92    70.00000  124.00000
   84    82    83    33.00000  107.80000
   88    82    83    35.00000  109.50000
   88    82    84    35.00000  109.50000
   88    92    95    70.00000  124.00000
   88    92    99    70.00000  124.00000
   92    88    89    35.00000  120.00000
   92    95    96    35.00000  109.50000
   92    95    97    35.00000  109.50000
   92    95    98    35.00000  109.50000
   92    99   100    35.00000  109.50000
   92    99   101    35.00000  109.50000
   92    99   102    35.00000  109.50000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   99    92    95    65.00000  117.92700
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   74    71    72    70.00000  120.00000
   42    37    40    60.00000  125.92000
   42    46    47    35.00000  109.50000
   42    46    53    63.00000  111.10000
   42    46    57    63.00000  111.10000
   46    42    43    80.00000  120.40000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    37.50000  110.70000
   46    57    58    37.50000  110.70000
   46    57    59    37.50000  110.70000
   46    57    60    37.50000  110.70000
   53    46    47    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    46    47    37.50000  110.70000
   57    46    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   38    33    37    90.00000  110.39200
   38    33    61    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    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    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    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    61    48   0.56750  1.0 1.0
   29    33    61    48  -0.07550 -1.0 2.0
   29    33    61    48   0.20000  1.0 3.0
   29    33    61    63   0.44750  1.0 1.0
   29    33    61    63  -0.17800 -1.0 2.0
   29    33    61    63   0.20200  1.0 3.0
   29    33    61    67   0.44750  1.0 1.0
   29    33    61    67  -0.17800 -1.0 2.0
   29    33    61    67   0.20200  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    44   7.00000 -1.0 2.0
   33    37    42    43  -0.64400  1.0 1.0
   33    37    42    43   0.26850 -1.0 2.0
   33    37    42    46   0.25700  1.0 1.0
   33    37    42    46   0.66200 -1.0 2.0
   33    37    42    46   0.04450  1.0 3.0
   33    61    63    64   0.15000  1.0 3.0
   33    61    63    65   0.15000  1.0 3.0
   33    61    63    66   0.15000  1.0 3.0
   33    61    67    68   0.15000  1.0 3.0
   33    61    67    69   0.15000  1.0 3.0
   33    61    67    70   0.15000  1.0 3.0
   37    33    61    48  -0.98800  1.0 1.0
   37    33    61    48   0.48800 -1.0 2.0
   37    33    61    48   0.76800  1.0 3.0
   37    33    61    63   0.34400  1.0 1.0
   37    33    61    63   0.09450 -1.0 2.0
   37    33    61    63   0.11100  1.0 3.0
   37    33    61    67   0.34400  1.0 1.0
   37    33    61    67   0.09450 -1.0 2.0
   37    33    61    67   0.11100  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40    44    45   0.00000  1.0 1.0
   37    40   -44    48  -0.51250  1.0 1.0
   37    40   -44    48  -0.88800 -1.0 2.0
   37    40   -44    48   0.08850  1.0 3.0
   37    40    44    50   0.09850  1.0 1.0
   37    40    44    50   0.15250 -1.0 2.0
   37    40    44    50  -0.50650  1.0 3.0
   37    42    46    47   0.00000  1.0 1.0
   37    42    46    53   0.65300  1.0 1.0
   37    42    46    53  -0.03850 -1.0 2.0
   37    42    46    53   0.33900  1.0 3.0
   37    42    46    57   0.65300  1.0 1.0
   37    42    46    57  -0.03850 -1.0 2.0
   37    42    46    57   0.33900  1.0 3.0
   40    37    42    43   1.00000 -1.0 2.0
   40    37    42    46  -0.33500  1.0 1.0
   40    37    42    46   1.06600 -1.0 2.0
   40    37    42    46  -0.14000  1.0 3.0
   40    44    48    49   0.30150 -1.0 2.0
   40    44    48    61   0.65300  1.0 1.0
   40    44    48    61  -0.03850 -1.0 2.0
   40    44    48    61   0.33900  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44    50    62   0.21200  1.0 1.0
   40    44    50    62   0.16900 -1.0 2.0
   40    44    50    62  -1.15100  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    48   0.09700  1.0 1.0
   41    40    44    48   0.15600 -1.0 2.0
   41    40    44    48  -0.50800  1.0 3.0
   41    40    44    50   0.09700  1.0 1.0
   41    40    44    50   0.15600 -1.0 2.0
   41    40    44    50  -0.50800  1.0 3.0
   44    48   -61    33   0.60050  1.0 1.0
   44    48   -61    33   0.05600 -1.0 2.0
   44    48   -61    33   0.26150  1.0 3.0
   44    48    61    63   0.60050  1.0 1.0
   44    48    61    63   0.05600 -1.0 2.0
   44    48    61    63   0.26150  1.0 3.0
   44    48    61    67   0.60050  1.0 1.0
   44    48    61    67   0.05600 -1.0 2.0
   44    48    61    67   0.26150  1.0 3.0
   44    50    62    71   0.04150 -1.0 2.0
   44    50    62    79   0.04150 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    61   0.00000  1.0 1.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    62   0.43200  1.0 3.0
   48    44    50    51  -0.11250  1.0 3.0
   48    44    50    52  -0.11250  1.0 3.0
   48    44    50    62   0.56750  1.0 1.0
   48    44    50    62  -0.07550 -1.0 2.0
   48    44    50    62   0.20000  1.0 3.0
   48    61    63    64  -0.11250  1.0 3.0
   48    61    63    65  -0.11250  1.0 3.0
   48    61    63    66  -0.11250  1.0 3.0
   48    61    67    68  -0.11250  1.0 3.0
   48    61    67    69  -0.11250  1.0 3.0
   48    61    67    70  -0.11250  1.0 3.0
   49    48    61    33   0.30150 -1.0 2.0
   49    48    61    63   0.30150 -1.0 2.0
   49    48    61    67   0.30150 -1.0 2.0
   61    33   -37    40   0.09850  1.0 1.0
   61    33   -37    40   0.15250 -1.0 2.0
   61    33   -37    40  -0.50650  1.0 3.0
   61    33    37    42   0.09700  1.0 1.0
   61    33    37    42   0.15600 -1.0 2.0
   61    33    37    42  -0.50800  1.0 3.0
   61    33    38    39  -0.11600  1.0 1.0
   61    33    38    39  -0.09450 -1.0 2.0
   61    33    38    39   0.21250  1.0 3.0
   63    61    67    68   0.15000  1.0 3.0
   63    61    67    69   0.15000  1.0 3.0
   63    61    67    70   0.15000  1.0 3.0
   67    61    63    64   0.15000  1.0 3.0
   67    61    63    65   0.15000  1.0 3.0
   67    61    63    66   0.15000  1.0 3.0
   50    44    48    49   0.30150 -1.0 2.0
   50    44    48    61   0.60050  1.0 1.0
   50    44    48    61   0.05600 -1.0 2.0
   50    44    48    61   0.26150  1.0 3.0
   50    62    71    72   3.62500 -1.0 2.0
   50    62    71    74   3.62500 -1.0 2.0
   50    62    79    77   3.62500 -1.0 2.0
   50    62    79    85   3.62500 -1.0 2.0
   51    50    62    71   0.00000  1.0 1.0
   51    50    62    79   0.00000  1.0 1.0
   52    50    62    71   0.00000  1.0 1.0
   52    50    62    79   0.00000  1.0 1.0
   62    71    72    73   3.62500 -1.0 2.0
   62    71    72    76   3.62500 -1.0 2.0
   62    71    74    75   0.84100 -1.0 2.0
   62    79    85    86   0.84100 -1.0 2.0
   71    62    79    77   3.62500 -1.0 2.0
   71    62    79    85   3.62500 -1.0 2.0
   71    72   -76    77   3.62500 -1.0 2.0
   71    72    76    78   3.62500 -1.0 2.0
   72    71    74    75   0.84100 -1.0 2.0
   72    76    77    79   3.62500 -1.0 2.0
   72    76    77    80   3.62500 -1.0 2.0
   72    76    78    82   1.63200 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    78   3.62500 -1.0 2.0
   76    77   -79    62   3.62500 -1.0 2.0
   76    77    79    85   3.62500 -1.0 2.0
   76    77    80    81   1.05000 -1.0 2.0
   76    77    80    87   0.56600 -1.0 2.0
   76    78    82    83   0.08050  1.0 3.0
   76    78    82    84   0.08050  1.0 3.0
   76    78    82    88  -0.25600  1.0 1.0
   76    78    82    88  -0.40050 -1.0 2.0
   76    78    82    88   0.34700  1.0 3.0
   77    76    78    82   1.63200 -1.0 2.0
   77    79    85    86   0.84100 -1.0 2.0
   77    80    87    90   0.56600 -1.0 2.0
   77    80    87   107   0.56600 -1.0 2.0
   79    62   -71    72   3.62500 -1.0 2.0
   79    62    71    74   3.62500 -1.0 2.0
   79    77    80    81   1.05000 -1.0 2.0
   79    77    80    87   0.56600 -1.0 2.0
   80    77    79    62   3.62500 -1.0 2.0
   80    77    79    85   3.62500 -1.0 2.0
   80    87    90    91   3.62500 -1.0 2.0
   80    87    90    93   3.62500 -1.0 2.0
   80    87   107   105   3.62500 -1.0 2.0
   80    87   107   108   3.62500 -1.0 2.0
   81    80    87    90   1.05000 -1.0 2.0
   81    80    87   107   1.05000 -1.0 2.0
   87    90    93    94   3.62500 -1.0 2.0
   87    90    93   103   3.62500 -1.0 2.0
   90    87   107   105   3.62500 -1.0 2.0
   90    87   107   108   3.62500 -1.0 2.0
   90    93   103   104   3.62500 -1.0 2.0
   90    93  -103   105   3.62500 -1.0 2.0
   91    90    93    94   3.62500 -1.0 2.0
   91    90    93   103   3.62500 -1.0 2.0
   93   103   105   106   3.62500 -1.0 2.0
   93   103   105   107   3.62500 -1.0 2.0
   94    93   103   104   3.62500 -1.0 2.0
   94    93   103   105   3.62500 -1.0 2.0
  103   105  -107    87   3.62500 -1.0 2.0
  103   105   107   108   3.62500 -1.0 2.0
  104   103   105   106   3.62500 -1.0 2.0
  104   103   105   107   3.62500 -1.0 2.0
  106   105   107    87   3.62500 -1.0 2.0
  106   105   107   108   3.62500 -1.0 2.0
  107    87    90    91   3.62500 -1.0 2.0
  107    87   -90    93   3.62500 -1.0 2.0
   78    76    77    79   3.62500 -1.0 2.0
   78    76    77    80   3.62500 -1.0 2.0
   78    82    88    89   0.00000  1.0 1.0
   78    82    88    92   0.39000  1.0 1.0
   78    82    88    92  -0.05800 -1.0 2.0
   78    82    88    92  -0.55150  1.0 3.0
   82    88    92    95   7.00000 -1.0 2.0
   82    88    92    99   7.00000 -1.0 2.0
   83    82    88    89   0.33100  1.0 3.0
   83    82    88    92   0.00000  1.0 1.0
   84    82    88    89   0.33100  1.0 3.0
   84    82    88    92   0.00000  1.0 1.0
   88    92    95    96   0.00000  1.0 1.0
   88    92    95    97   0.00000  1.0 1.0
   88    92    95    98   0.00000  1.0 1.0
   88    92    99   100   0.00000  1.0 1.0
   88    92    99   101   0.00000  1.0 1.0
   88    92    99   102   0.00000  1.0 1.0
   89    88    92    95   7.00000 -1.0 2.0
   89    88    92    99   7.00000 -1.0 2.0
   95    92    99   100   0.34800  1.0 3.0
   95    92    99   101   0.34800  1.0 3.0
   95    92    99   102   0.34800  1.0 3.0
   99    92    95    96   0.34800  1.0 3.0
   99    92    95    97   0.34800  1.0 3.0
   99    92    95    98   0.34800  1.0 3.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    76   3.62500 -1.0 2.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    44   7.00000 -1.0 2.0
   42    46    53    54  -0.11250  1.0 3.0
   42    46    53    55  -0.11250  1.0 3.0
   42    46    53    56  -0.11250  1.0 3.0
   42    46    57    58  -0.11250  1.0 3.0
   42    46    57    59  -0.11250  1.0 3.0
   42    46    57    60  -0.11250  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.30150 -1.0 2.0
   43    42    46    57   0.30150 -1.0 2.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    56   0.15000  1.0 3.0
   47    46    57    58   0.15000  1.0 3.0
   47    46    57    59   0.15000  1.0 3.0
   47    46    57    60   0.15000  1.0 3.0
   53    46    57    58   0.15000  1.0 3.0
   53    46    57    59   0.15000  1.0 3.0
   53    46    57    60   0.15000  1.0 3.0
   57    46    53    54   0.15000  1.0 3.0
   57    46    53    55   0.15000  1.0 3.0
   57    46    53    56   0.15000  1.0 3.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    61    48  -0.09450  1.0 1.0
   38    33    61    48  -1.12950 -1.0 2.0
   38    33    61    48   0.54000  1.0 3.0
   38    33    61    63   0.86500  1.0 1.0
   38    33    61    63  -0.17500 -1.0 2.0
   38    33    61    63   0.20800  1.0 3.0
   38    33    61    67   0.86500  1.0 1.0
   38    33    61    67  -0.17500 -1.0 2.0
   38    33    61    67   0.20800  1.0 3.0
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    42    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   44    61    48    49  10.50000 -1.0 2.0
   71    79    62    50   4.00000 -1.0 2.0
   72    74    71    62   4.00000 -1.0 2.0
   76    73    72    71   1.10000 -1.0 2.0
   77    78    76    72   4.00000 -1.0 2.0
   79    80    77    76   4.00000 -1.0 2.0
   77    85    79    62   4.00000 -1.0 2.0
   77    87    80    81  10.50000 -1.0 2.0
   90   107    87    80   4.00000 -1.0 2.0
   93    91    90    87   1.10000 -1.0 2.0
  103    94    93    90   1.10000 -1.0 2.0
  105   104   103    93   1.10000 -1.0 2.0
  107   106   105   103   1.10000 -1.0 2.0
  105   108   107    87   1.10000 -1.0 2.0
   82    89    88    92  15.00000 -1.0 2.0
   95    99    92    88  15.00000 -1.0 2.0
   37    46    42    43  10.50000 -1.0 2.0
END
