* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    152    226     444
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02086   106.14799    -4.50515
    3     1 S   H    _H1_     3     1.02135    50.23789    96.70899
    4     1 S   H    _H2_     4     1.02123    62.04031  -107.45849
    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  _C23    36     1.76791   100.55923   161.83962
   34    33 S   O    _O40    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   _C22    38     1.51254   113.26662  -149.96278
   39    38 S   HC   _H20    39     1.09560   107.13018   -87.77287
   40    38 S   HC   _H21    40     1.09590   109.77051    30.75999
   41    38 S   CO4  _C21    41     1.51874   115.81172   151.42822
   42    41 S   O    _O39    42     1.22962   122.08177    -3.66330
   43    41 S   CT   _C20    43     1.51795   115.60723  -179.75371
   44    43 S   HC   _H18    44     1.09523   106.94188    59.98450
   45    43 S   HC   _H19    45     1.09519   108.51299   -57.72069
   46    43 S   CO4  _C19    46     1.51681   116.56290  -178.44720
   47    46 S   O    _O38    47     1.23025   122.40980    31.32904
   48    46 S   CT   _C18    48     1.51414   114.87285  -150.75768
   49    48 S   HC   _H16    49     1.08963   108.85690  -150.04409
   50    48 S   HC   _H17    50     1.08867   108.93757   -30.61838
   51    48 S   CT   _C17    51     1.53859   112.13604    89.69467
   52    51 S   CM   _C12    52     1.52113   112.40471  -179.52112
   53    51 S   OH   _O41    84     1.43445   107.85704   -61.74900
   54    53 S   HO   _H22    85     0.96727   106.07061   -61.21299
   55    52 S   CMA  _C13    53     1.35772   125.86352  -130.95880
   56    55 S   OM   _O42    54     1.26586   131.24468   178.79683
   57    52 S   CO4  _C11    63     1.48149   116.67243    50.70975
   58    57 S   O    _O36    64     1.22778   119.68819   -89.49232
   59    55 S   CT   _C14    55     1.52413   119.40710    -2.86334
   60    59 S   HC   _H12    56     1.09238   110.54827   104.02353
   61    59 S   HC   _H13    57     1.09117   110.66395  -134.48966
   62    57 S   CT   _C10    65     1.51285   116.70116    88.45439
   63    62 S   HC   _H10    66     1.09527   106.95568    -0.00000
   64    62 S   HC   _H11    67     1.09510   109.34920   118.11240
   65    59 S   CO4  _C15    58     1.51256   112.32287   -15.01152
   66    65 S   O    _O37    59     1.22898   122.03747  -138.67161
   67    62 S   CO4  _C9_    68     1.51737   115.86372  -120.97149
   68    67 S   O    _O35    69     1.22970   122.05068    -3.59554
   69    51 S   CT   _C16    60     1.53446   107.75070    54.65761
   70    69 S   HC   _H14    61     1.09547   111.13307    39.50576
   71    69 S   HC   _H15    62     1.09695   111.27829   -78.93146
   72    67 S   CT   _C8_    70     1.51710   115.63725  -179.78150
   73    72 S   HC   _H8_    71     1.09437   108.55972   -60.02168
   74    72 S   HC   _H9_    72     1.09572   106.94656    57.76506
   75    72 S   CO4  _C7_    73     1.51742   116.54277   179.24101
   76    75 S   O    _O34    74     1.22978   122.18993     1.97754
   77    75 S   CT   _C6_    75     1.51689   115.43134  -178.38384
   78    77 S   HC   _H6_    76     1.09515   108.26572   -29.97108
   79    77 S   HC   _H7_    77     1.09488   107.04887    87.69565
   80    77 S   CO4  _C5_    78     1.51493   116.80780  -150.81114
   81    80 S   O    _O33    79     1.22903   123.09296     3.53867
   82    80 S   CT   _C4_    80     1.50712   116.05139  -178.50015
   83    82 S   HC   _H3_    81     1.09362   109.74361    90.01514
   84    82 S   HC   _H4_    82     1.09282   109.68944   -29.39629
   85    82 S   HC   _H5_    83     1.09384   109.53203  -150.48575
  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  14  17   7   1  10   5   9   4   7   4   3   8   4   3
   4   3   7   4   2   1   1   8   4   3   7   4   8   4   3   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    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    57    58    62  
   59    60    61    65    57  
   58    62    63    64    67    68    72    59    69  
   62    63    64    67  
   60    61    65    66    69    70    71  
   61    65    66    69  
   65    66    69  
   63    64    67    68    72    73    74    75  
   64    67    68    72  
   67    68    72  
   66    69    70    71  
   69    70    71  
   68    72    73    74    75    76    77  
   72    73    74    75  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79    80  
   74    75    76    77  
   75    76    77  
   76    77    78    79    80    81    82  
   77    78    79    80  
   78    79    80    81    82    83    84    85  
   79    80    81    82  
   80    81    82  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.470000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.4200   0.0150   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   317.000  1.522
   65    66   570.000  1.229
   65    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   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    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.522
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   317.000  1.522
   80    81   570.000  1.229
   80    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   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    63.00000  111.10000
   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  109.06800
   59    55    56    85.00000  112.85300
   59    65    66    80.00000  120.40000
   59    65    69    70.00000  116.00000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   69    51    52    70.00000  112.02700
   69    65    66    80.00000  120.40000
   71    69    70    33.00000  107.80000
   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    72    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    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    75.00000  107.99600
   72    67    68    80.00000  120.40000
   72    75    76    80.00000  120.40000
   72    75    77    70.00000  116.00000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    75.00000  107.99600
   77    75    76    80.00000  120.40000
   77    80    81    80.00000  120.40000
   77    80    82    70.00000  116.00000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    82    83    35.00000  109.50000
   80    82    84    35.00000  109.50000
   80    82    85    35.00000  109.50000
   82    80    81    80.00000  120.40000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    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  -0.95700  1.0 1.0
   48    51    69    65  -0.18200 -1.0 2.0
   48    51    69    65   0.29450  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  -0.98800  1.0 1.0
   52    51    69    65   0.48800 -1.0 2.0
   52    51    69    65   0.76800  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  -0.51250  1.0 1.0
   52    55   -59    65  -0.88800 -1.0 2.0
   52    55   -59    65   0.08850  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   0.30150 -1.0 2.0
   55    59    65    69   0.65300  1.0 1.0
   55    59    65    69  -0.03850 -1.0 2.0
   55    59    65    69   0.33900  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   0.60050  1.0 1.0
   59    65   -69    51   0.05600 -1.0 2.0
   59    65   -69    51   0.26150  1.0 3.0
   59    65    69    70   0.00000  1.0 1.0
   59    65    69    71   0.00000  1.0 1.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    69   0.00000  1.0 1.0
   61    59    65    66   0.00000  1.0 1.0
   61    59    65    69   0.00000  1.0 1.0
   66    65    69    51   0.30150 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    71   0.00000  1.0 1.0
   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
   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    72   0.65300  1.0 1.0
   57    62    67    72  -0.03850 -1.0 2.0
   57    62    67    72   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    72    73   0.00000  1.0 1.0
   62    67    72    74   0.00000  1.0 1.0
   62    67    72    75   0.65300  1.0 1.0
   62    67    72    75  -0.03850 -1.0 2.0
   62    67    72    75   0.33900  1.0 3.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    72   0.00000  1.0 1.0
   64    62    67    68   0.00000  1.0 1.0
   64    62    67    72   0.00000  1.0 1.0
   67    72    75    76   0.30150 -1.0 2.0
   67    72    75    77   0.65300  1.0 1.0
   67    72    75    77  -0.03850 -1.0 2.0
   67    72    75    77   0.33900  1.0 3.0
   68    67    72    73   0.00000  1.0 1.0
   68    67    72    74   0.00000  1.0 1.0
   68    67    72    75   0.30150 -1.0 2.0
   72    75    77    78   0.00000  1.0 1.0
   72    75    77    79   0.00000  1.0 1.0
   72    75    77    80   0.65300  1.0 1.0
   72    75    77    80  -0.03850 -1.0 2.0
   72    75    77    80   0.33900  1.0 3.0
   73    72    75    76   0.00000  1.0 1.0
   73    72    75    77   0.00000  1.0 1.0
   74    72    75    76   0.00000  1.0 1.0
   74    72    75    77   0.00000  1.0 1.0
   75    77    80    81   0.30150 -1.0 2.0
   75    77    80    82   0.65300  1.0 1.0
   75    77    80    82  -0.03850 -1.0 2.0
   75    77    80    82   0.33900  1.0 3.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    80   0.30150 -1.0 2.0
   77    80    82    83   0.00000  1.0 1.0
   77    80    82    84   0.00000  1.0 1.0
   77    80    82    85   0.00000  1.0 1.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   79    77    80    81   0.00000  1.0 1.0
   79    77    80    82   0.00000  1.0 1.0
   81    80    82    83   0.00000  1.0 1.0
   81    80    82    84   0.00000  1.0 1.0
   81    80    82    85   0.00000  1.0 1.0
   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  -0.09450  1.0 1.0
   53    51    69    65  -1.12950 -1.0 2.0
   53    51    69    65   0.54000  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
   59    69    65    66  10.50000 -1.0 2.0
   52    62    57    58  10.50000 -1.0 2.0
   62    72    67    68  10.50000 -1.0 2.0
   72    77    75    76  10.50000 -1.0 2.0
   77    82    80    81  10.50000 -1.0 2.0
END
