* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    162    243     477
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02058   104.11643     7.28381
    3     1 S   H    _H1_     3     1.02155    43.69618   109.72850
    4     1 S   H    _H2_     4     1.02118    69.44999   -97.71368
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   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   CO4  _C24    36     1.76791   100.55923   161.83962
   34    33 S   O    _O39    37     1.22503   122.43681    32.17660
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C23    38     1.51254   113.26662  -149.96278
   39    38 S   HC   _H23    39     1.09619   107.11990  -147.73917
   40    38 S   HC   _H24    40     1.09512   109.74207   -29.28919
   41    38 S   CO4  _C22    41     1.51861   115.85069    91.44644
   42    41 S   O    _O38    42     1.22990   122.05616    -3.71077
   43    41 S   CT   _C21    43     1.51678   115.60848  -179.72804
   44    43 S   HC   _H21    44     1.09492   106.99404    59.96429
   45    43 S   HC   _H22    45     1.09549   108.56716   -57.77290
   46    43 S   CO4  _C20    46     1.51747   116.57699  -178.47223
   47    46 S   O    _O37    47     1.23024   122.37610    31.29972
   48    46 S   CT   _C19    48     1.51355   114.89333  -150.77240
   49    48 S   HC   _H19    49     1.08987   108.89662   -29.99924
   50    48 S   HC   _H20    50     1.08947   108.98820    89.50935
   51    48 S   CT   _C18    51     1.53768   112.12433  -150.28820
   52    51 S   CM   _C13    52     1.52179   113.03320   -59.52852
   53    51 S   OH   _O40    89     1.43407   107.80427  -179.15489
   54    53 S   HO   _H25    90     0.96761   106.07957   -57.43287
   55    52 S   CMA  _C14    53     1.35731   125.69702   130.31677
   56    55 S   OM   _O42    54     1.26456   131.50711  -178.54116
   57    52 S   CO4  _C12    65     1.48222   116.93513   -50.43770
   58    57 S   O    _O36    66     1.22751   119.77397   118.68722
   59    55 S   CT   _C15    55     1.53269   118.79628     2.71815
   60    59 S   HC   _H15    56     1.09934   108.76728   139.64634
   61    59 S   HC   _H16    57     1.09832   111.21013  -104.33064
   62    57 S   CT   _C11    67     1.51176   116.66006   -59.30452
   63    62 S   HC   _H13    68     1.09510   109.47617   -30.03270
   64    62 S   HC   _H14    69     1.09506   107.04863    88.07611
   65    59 S   CT   _C16    58     1.53072   114.89144    17.35458
   66    65 S   HC   _H3_    59     1.10977   109.26695  -167.94213
   67    62 S   CO4  _C10    70     1.51673   115.61673  -150.71456
   68    67 S   O    _O35    71     1.23042   122.68707    32.54757
   69    51 S   CT   _C17    60     1.54340   107.63615    65.51833
   70    69 S   HC   _H17    61     1.10275   110.02884    73.88971
   71    69 S   HC   _H18    62     1.10130   110.51977   -40.00808
   72    65 S   OH   _O41    63     1.42406   110.36079    74.72800
   73    72 S   HO   _H26    64     0.96993   106.61136    60.03799
   74    67 S   CT   _C9_    72     1.51337   116.52209  -147.83297
   75    74 S   HC   _H11    73     1.09547   108.13901   -60.07084
   76    74 S   HC   _H12    74     1.09446   108.51630    56.78077
   77    74 S   CO4  _C8_    75     1.51343   114.25199   179.02321
   78    77 S   O    _O34    76     1.22976   121.78922    89.25691
   79    77 S   CT   _C7_    77     1.51592   115.70294   -89.24380
   80    79 S   HC   _H9_    78     1.09502   108.50717   -59.94340
   81    79 S   HC   _H10    79     1.09580   106.97525    57.67863
   82    79 S   CO4  _C6_    80     1.51664   116.54599   179.22116
   83    82 S   O    _O33    81     1.22931   122.36365     3.70396
   84    82 S   CT   _C5_    82     1.52072   115.56233  -178.43627
   85    84 S   HC   _H7_    83     1.09496   108.16382    60.02249
   86    84 S   HC   _H8_    84     1.09471   108.09715   -57.57525
   87    84 S   CT   _C4_    85     1.51799   112.71554  -178.84937
   88    87 S   HC   _H4_    86     1.09466   111.03483    59.59255
   89    87 S   HC   _H5_    87     1.09540   110.96913   179.55545
   90    87 S   HC   _H6_    88     1.09388   110.40198   -60.50496
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
   7   4   2   1   1   8   4   3   7   4   8   4   3   8   4  12
   5   4  15  17   7   1  11   5   9   4   9   5   4   8   4   3
   6   5   7   4   4   2   1   1   1   8   4   3   7   4   8   4
   3   8   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43  
   38    39    40    41  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46  
   40    41    42    43  
   41    42    43  
   42    43    44    45    46    47    48  
   43    44    45    46  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48  
   47    48    49    50    51    52    69    53  
   48    49    50    51  
   49    50    51    52    55    65    69    70    71    57    53    54  
   50    51    52    69    53  
   51    52    69    53  
   52    55    56    59    65    66    69    70    71    72    57    58    62    53    54  
   55    56    59    60    61    65    69    70    71    57    58    62    63    64    67    53    54  
   54    55    57    65    69    70    71  
   69  
   56    59    60    61    65    66    69    72    57    58    62  
   59    60    61    65    57  
   58    62    63    64    67    68    74    59    69  
   62    63    64    67  
   60    61    65    66    69    70    71    72    73  
   61    65    66    69    72  
   65    66    69    72  
   63    64    67    68    74    75    76    77  
   64    67    68    74  
   67    68    74  
   66    69    70    71    72    73  
   69    70    71    72    73  
   68    74    75    76    77    78    79  
   74    75    76    77  
   70    71    72    73  
   71    72  
   72  
   73  
    0  
   75    76    77    78    79    80    81    82  
   76    77    78    79  
   77    78    79  
   78    79    80    81    82    83    84  
   79    80    81    82  
   80    81    82    83    84    85    86    87  
   81    82    83    84  
   82    83    84  
   83    84    85    86    87    88    89    90  
   84    85    86    87  
   85    86    87    88    89    90  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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  -0.219900   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   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   210.000  1.799
   33    34   570.000  1.229
   33    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   317.000  1.522
   46    47   570.000  1.229
   46    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   317.000  1.510
   51    69   268.000  1.529
   51    53   320.000  1.410
   52    55   465.000  1.376
   52    57   320.000  1.462
   55    56   745.000  1.250
   55    59   270.000  1.512
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   72    73   553.000  0.945
   57    58   570.000  1.229
   57    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   317.000  1.522
   67    68   570.000  1.229
   67    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   317.000  1.522
   77    78   570.000  1.229
   77    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   317.000  1.522
   82    83   570.000  1.229
   82    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   53    54   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    70.00000  114.16300
   33    38    39    35.00000  109.50000
   33    38    40    35.00000  109.50000
   33    38    41    75.00000  107.99600
   38    33    34    80.00000  120.40000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    75.00000  107.99600
   43    41    42    80.00000  120.40000
   43    46    47    80.00000  120.40000
   43    46    48    70.00000  116.00000
   45    43    44    33.00000  107.80000
   46    43    44    35.00000  109.50000
   46    43    45    35.00000  109.50000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    51    63.00000  111.10000
   48    46    47    80.00000  120.40000
   48    51    52    70.00000  112.02700
   48    51    69    58.35000  112.70000
   48    51    53    50.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    55    70.00000  124.00000
   51    52    57    65.00000  116.34900
   51    69    65    58.35000  112.70000
   51    69    70    37.50000  110.70000
   51    69    71    37.50000  110.70000
   51    53    54    55.00000  108.50000
   52    55    56    65.00000  137.10300
   52    55    59    65.00000  122.18000
   52    57    58    80.00000  123.72100
   52    57    62    65.00000  118.62400
   55    59    60    45.00000  110.52000
   55    59    61    45.00000  110.52000
   55    59    65    70.00000  112.02700
   59    55    56    85.00000  112.85300
   59    65    66    37.50000  110.70000
   59    65    69    58.35000  112.70000
   59    65    72    50.00000  109.50000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    72    73    55.00000  108.50000
   69    51    52    70.00000  112.02700
   69    65    66    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    65    66    35.00000  109.50000
   72    65    69    50.00000  109.50000
   57    52    55    60.00000  125.92000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    67    75.00000  107.99600
   62    57    58    80.00000  120.40000
   62    67    68    80.00000  120.40000
   62    67    74    70.00000  116.00000
   64    62    63    33.00000  107.80000
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    75.00000  107.99600
   74    67    68    80.00000  120.40000
   74    77    78    80.00000  120.40000
   74    77    79    70.00000  116.00000
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    82    75.00000  107.99600
   79    77    78    80.00000  120.40000
   79    82    83    80.00000  120.40000
   79    82    84    70.00000  116.00000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    87    63.00000  111.10000
   84    82    83    80.00000  120.40000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   53    51    52    90.00000  110.39200
   53    51    69    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   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    41   0.00000  1.0 1.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    41   0.30150 -1.0 2.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41    43    46   0.65300  1.0 1.0
   38    41    43    46  -0.03850 -1.0 2.0
   38    41    43    46   0.33900  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47   0.30150 -1.0 2.0
   41    43    46    48   0.65300  1.0 1.0
   41    43    46    48  -0.03850 -1.0 2.0
   41    43    46    48   0.33900  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46    48    49   0.00000  1.0 1.0
   43    46    48    50   0.00000  1.0 1.0
   43    46    48    51   0.60050  1.0 1.0
   43    46    48    51   0.05600 -1.0 2.0
   43    46    48    51   0.26150  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   45    43    46    47   0.00000  1.0 1.0
   45    43    46    48   0.00000  1.0 1.0
   46    48    51    52  -0.98800  1.0 1.0
   46    48    51    52   0.48800 -1.0 2.0
   46    48    51    52   0.76800  1.0 3.0
   46    48    51    69  -0.95700  1.0 1.0
   46    48    51    69  -0.18200 -1.0 2.0
   46    48    51    69   0.29450  1.0 3.0
   46    48    51    53  -0.09450  1.0 1.0
   46    48    51    53  -1.12950 -1.0 2.0
   46    48    51    53   0.54000  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    51   0.30150 -1.0 2.0
   48    51    52    55   0.09850  1.0 1.0
   48    51    52    55   0.15250 -1.0 2.0
   48    51    52    55  -0.50650  1.0 3.0
   48    51    52    57   0.09700  1.0 1.0
   48    51    52    57   0.15600 -1.0 2.0
   48    51    52    57  -0.50800  1.0 3.0
   48    51    69    65   0.56750  1.0 1.0
   48    51    69    65  -0.07550 -1.0 2.0
   48    51    69    65   0.20000  1.0 3.0
   48    51    69    70   0.15000  1.0 3.0
   48    51    69    71   0.15000  1.0 3.0
   48    51    53    54  -0.11600  1.0 1.0
   48    51    53    54  -0.09450 -1.0 2.0
   48    51    53    54   0.21250  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    69   0.15000  1.0 3.0
   49    48    51    53   0.23400  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    69   0.15000  1.0 3.0
   50    48    51    53   0.23400  1.0 3.0
   51    52    55    56   7.00000 -1.0 2.0
   51    52    55    59   7.00000 -1.0 2.0
   51    52    57    58  -0.64400  1.0 1.0
   51    52    57    58   0.26850 -1.0 2.0
   51    52    57    62   0.25700  1.0 1.0
   51    52    57    62   0.66200 -1.0 2.0
   51    52    57    62   0.04450  1.0 3.0
   52    51    69    65   0.34400  1.0 1.0
   52    51    69    65   0.09450 -1.0 2.0
   52    51    69    65   0.11100  1.0 3.0
   52    51    69    70   0.15000  1.0 3.0
   52    51    69    71   0.15000  1.0 3.0
   52    51    53    54  -0.07800  1.0 1.0
   52    51    53    54  -0.21500 -1.0 2.0
   52    51    53    54  -0.03150  1.0 3.0
   52    55    59    60   0.00000  1.0 1.0
   52    55    59    61   0.00000  1.0 1.0
   52    55   -59    65   0.09850  1.0 1.0
   52    55   -59    65   0.15250 -1.0 2.0
   52    55   -59    65  -0.50650  1.0 3.0
   52    57    62    63   0.00000  1.0 1.0
   52    57    62    64   0.00000  1.0 1.0
   52    57    62    67   0.65300  1.0 1.0
   52    57    62    67  -0.03850 -1.0 2.0
   52    57    62    67   0.33900  1.0 3.0
   55    52    57    58   1.00000 -1.0 2.0
   55    52    57    62  -0.33500  1.0 1.0
   55    52    57    62   1.06600 -1.0 2.0
   55    52    57    62  -0.14000  1.0 3.0
   55    59    65    66   0.15000  1.0 3.0
   55    59    65    69   0.34400  1.0 1.0
   55    59    65    69   0.09450 -1.0 2.0
   55    59    65    69   0.11100  1.0 3.0
   55    59    65    72   1.05650  1.0 1.0
   55    59    65    72   0.15600 -1.0 2.0
   55    59    65    72   0.53150  1.0 3.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    65   0.09700  1.0 1.0
   56    55    59    65   0.15600 -1.0 2.0
   56    55    59    65  -0.50800  1.0 3.0
   59    65   -69    51   0.56750  1.0 1.0
   59    65   -69    51  -0.07550 -1.0 2.0
   59    65   -69    51   0.20000  1.0 3.0
   59    65    69    70   0.15000  1.0 3.0
   59    65    69    71   0.15000  1.0 3.0
   59    65    72    73  -0.11600  1.0 1.0
   59    65    72    73  -0.09450 -1.0 2.0
   59    65    72    73   0.21250  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    69   0.15000  1.0 3.0
   60    59    65    72   0.23400  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    69   0.15000  1.0 3.0
   61    59    65    72   0.23400  1.0 3.0
   66    65    69    51   0.15000  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    72    73   0.19450  1.0 3.0
   69    51   -52    55   0.09850  1.0 1.0
   69    51   -52    55   0.15250 -1.0 2.0
   69    51   -52    55  -0.50650  1.0 3.0
   69    51    52    57   0.09700  1.0 1.0
   69    51    52    57   0.15600 -1.0 2.0
   69    51    52    57  -0.50800  1.0 3.0
   69    51    53    54  -0.11600  1.0 1.0
   69    51    53    54  -0.09450 -1.0 2.0
   69    51    53    54   0.21250  1.0 3.0
   69    65    72    73  -0.11600  1.0 1.0
   69    65    72    73  -0.09450 -1.0 2.0
   69    65    72    73   0.21250  1.0 3.0
   72    65    69    51   0.86500  1.0 1.0
   72    65    69    51  -0.17500 -1.0 2.0
   72    65    69    51   0.20800  1.0 3.0
   72    65    69    70   0.23400  1.0 3.0
   72    65    69    71   0.23400  1.0 3.0
   57    52    55    56   7.00000 -1.0 2.0
   57    52    55    59   7.00000 -1.0 2.0
   57    62    67    68   0.30150 -1.0 2.0
   57    62    67    74   0.65300  1.0 1.0
   57    62    67    74  -0.03850 -1.0 2.0
   57    62    67    74   0.33900  1.0 3.0
   58    57    62    63   0.00000  1.0 1.0
   58    57    62    64   0.00000  1.0 1.0
   58    57    62    67   0.30150 -1.0 2.0
   62    67    74    75   0.00000  1.0 1.0
   62    67    74    76   0.00000  1.0 1.0
   62    67    74    77   0.65300  1.0 1.0
   62    67    74    77  -0.03850 -1.0 2.0
   62    67    74    77   0.33900  1.0 3.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    74   0.00000  1.0 1.0
   64    62    67    68   0.00000  1.0 1.0
   64    62    67    74   0.00000  1.0 1.0
   67    74    77    78   0.30150 -1.0 2.0
   67    74    77    79   0.65300  1.0 1.0
   67    74    77    79  -0.03850 -1.0 2.0
   67    74    77    79   0.33900  1.0 3.0
   68    67    74    75   0.00000  1.0 1.0
   68    67    74    76   0.00000  1.0 1.0
   68    67    74    77   0.30150 -1.0 2.0
   74    77    79    80   0.00000  1.0 1.0
   74    77    79    81   0.00000  1.0 1.0
   74    77    79    82   0.65300  1.0 1.0
   74    77    79    82  -0.03850 -1.0 2.0
   74    77    79    82   0.33900  1.0 3.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   76    74    77    78   0.00000  1.0 1.0
   76    74    77    79   0.00000  1.0 1.0
   77    79    82    83   0.30150 -1.0 2.0
   77    79    82    84   0.65300  1.0 1.0
   77    79    82    84  -0.03850 -1.0 2.0
   77    79    82    84   0.33900  1.0 3.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    82   0.30150 -1.0 2.0
   79    82    84    85   0.00000  1.0 1.0
   79    82    84    86   0.00000  1.0 1.0
   79    82    84    87   0.60050  1.0 1.0
   79    82    84    87   0.05600 -1.0 2.0
   79    82    84    87   0.26150  1.0 3.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   81    79    82    84   0.00000  1.0 1.0
   82    84    87    88  -0.11250  1.0 3.0
   82    84    87    89  -0.11250  1.0 3.0
   82    84    87    90  -0.11250  1.0 3.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   0.00000  1.0 1.0
   83    82    84    87   0.30150 -1.0 2.0
   85    84    87    88   0.15000  1.0 3.0
   85    84    87    89   0.15000  1.0 3.0
   85    84    87    90   0.15000  1.0 3.0
   86    84    87    88   0.15000  1.0 3.0
   86    84    87    89   0.15000  1.0 3.0
   86    84    87    90   0.15000  1.0 3.0
   53    51    52    55   0.67800  1.0 1.0
   53    51    52    55   0.47050 -1.0 2.0
   53    51    52    55  -0.62500  1.0 3.0
   53    51    52    57   0.09700  1.0 1.0
   53    51    52    57   0.15600 -1.0 2.0
   53    51    52    57  -0.50800  1.0 3.0
   53    51    69    65   0.86500  1.0 1.0
   53    51    69    65  -0.17500 -1.0 2.0
   53    51    69    65   0.20800  1.0 3.0
   53    51    69    70   0.23400  1.0 3.0
   53    51    69    71   0.23400  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
   36    30    35    37  10.50000 -1.0 2.0
   29    38    33    34  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   43    48    46    47  10.50000 -1.0 2.0
   51    57    52    55   1.10000 -1.0 2.0
   59    56    55    52   1.10000 -1.0 2.0
   52    62    57    58  10.50000 -1.0 2.0
   62    74    67    68  10.50000 -1.0 2.0
   74    79    77    78  10.50000 -1.0 2.0
   79    84    82    83  10.50000 -1.0 2.0
END
