* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    152    226     450
    1     0 S   NP   _N1_     1    30.26693    90.60380   -19.49192
    2     1 S   H    _HN1     2     1.03164   118.75594   -27.05246
    3     1 S   H    _H1_     3     1.02912   114.89195   102.57239
    4     1 S   H    _H2_     4     1.02767    19.45643    31.75457
    5     1 S   CT   _CA1     5     1.49972    91.71349  -143.70814
    6     5 S   HC   _HA1     6     1.09496   105.24747    60.11330
    7     5 S   CO3  _C1_     7     1.53725   112.37023   -60.03854
    8     7 S   O2Z  _O11     8     1.26371   115.08568   -47.47240
    9     7 S   O2Z  _O12     9     1.26256   114.92765   131.65362
   10     5 S   CT   _CB1    10     1.52953   107.33156   177.98122
   11    10 S   HC   HB11    11     1.09796   109.34044   -53.08406
   12    10 S   HC   HB12    12     1.09788   110.10321    62.95740
   13    10 S   CT   _CG1    13     1.53119   112.97661  -174.33230
   14    13 S   HC   HG11    14     1.09569   111.19919   -67.85254
   15    13 S   HC   HG12    15     1.09560   110.61075    51.56917
   16    13 S   C    _CD1    16     1.51432   110.46925   171.22040
   17    16 S   O    _OE1    17     1.22825   121.82922  -107.23868
   18    16 S   N    _N2_    18     1.38316   112.82559    71.62126
   19    18 S   H    _HN2    19     1.01549   119.24174     8.22867
   20    18 S   CT1  _CA2    20     1.45607   122.92655  -174.39730
   21    20 S   HC   _HA2    21     1.09556   108.64079    20.54675
   22    20 S   C    _C2_    22     1.52835   107.83604   -96.17364
   23    22 S   O    _O2_    23     1.22932   122.97485   -25.86120
   24    20 S   CT   _CB2    32     1.53414   112.17803   143.33977
   25    24 S   HC   HB21    33     1.09679   109.52114    68.80683
   26    24 S   HC   HB22    34     1.09531   110.92989  -174.39017
   27    22 S   N    _N3_    24     1.38651   112.29249   156.98917
   28    27 S   H    _HN3    25     1.01506   119.69651     0.83930
   29    24 S   S    _SG2    35     1.83139   114.62007   -50.13847
   30    27 S   CT   _CA3    26     1.45433   122.87884   175.50177
   31    30 S   HC   HA31    27     1.09537   108.97891    29.82488
   32    30 S   HC   HA32    28     1.09481   107.18569   146.94662
   33    29 S   CT   _C18    36     1.83928   100.96919   -65.17605
   34    33 S   HC   _H7_    37     1.09235   108.07274    42.33626
   35    30 S   CO3  _C3_    29     1.53031   113.46921   -93.26196
   36    35 S   O2Z  _O31    30     1.26382   115.73074   -34.16352
   37    35 S   O2Z  _O32    31     1.26396   114.75308   146.72207
   38    33 S   CM   _C19    38     1.50563   109.11467   -77.94091
   39    38 S   HC   _H22    39     1.08850   117.51926   -60.03217
   40    33 S   CM   _C17    46     1.51314   107.73448   161.15790
   41    40 S   HC   _H21    47     1.09123   115.56247    56.76303
   42    38 S   CM   _C20    40     1.34228   123.48485   120.24511
   43    42 S   HC   _H23    41     1.08710   119.59853     0.03426
   44    40 S   CMA  _C16    48     1.35539   126.53506  -122.85615
   45    44 S   OM   _O36    49     1.26740   125.46152    -1.16584
   46    42 S   CT   _C21    42     1.49254   123.89196  -179.95154
   47    46 S   HC   _H24    43     1.09423   109.90238  -120.46141
   48    46 S   HC   _H25    44     1.09427   109.87712   120.41934
   49    46 S   HC   _H26    45     1.09455   112.29880    -0.00000
   50    44 S   OS   _O35    50     1.42165   109.35289   178.31879
   51    50 S   CT   _C14    51     1.43699   117.41577   175.80750
   52    51 S   HC   _H6_    52     1.09671   110.40237   -44.98176
   53    51 S   CO4  _C15    53     1.52591   107.94714    77.44385
   54    53 S   O    _O33    54     1.22493   124.57841    41.05853
   55    51 S   CT   _C13    69     1.54409   105.89578  -163.34266
   56    55 S   HC   _H19    70     1.09851   108.25313    46.06860
   57    55 S   HC   _H20    71     1.09875   109.57173   -68.16879
   58    53 S   OS   _O34    55     1.36501   109.72510  -140.54948
   59    58 S   CT   _C7_    56     1.45073   118.50147  -171.06347
   60    59 S   HC   _H3_    57     1.09723   109.92496    20.96253
   61    59 S   CT   _C8_    58     1.55496   108.78690   139.31143
   62    61 S   HC   _H4_    59     1.09636   107.68672   179.56840
   63    59 S   CT   _C6_    76     1.53861   106.48188   -97.51650
   64    63 S   HC   _H13    77     1.09749   109.90232   -59.79028
   65    63 S   HC   _H14    78     1.09783   108.53283    54.54086
   66    61 S   CT   _C9_    60     1.55288   115.25548   -60.77343
   67    66 S   HC   _H5_    61     1.09674   109.62880   176.32987
   68    61 S   OH   _O38    74     1.42869   109.62149    63.64599
   69    68 S   HO   _H28    75     0.97226   107.81882   175.64873
   70    63 S   CT   _C5_    79     1.52764   113.74269   176.28332
   71    70 S   HC   _H11    80     1.09600   109.82641   -55.31172
   72    70 S   HC   _H12    81     1.09478   110.48036    63.04903
   73    66 S   CM   _C10    62     1.50687   112.51292    57.16464
   74    73 S   HC   _H15    63     1.08865   115.31248    63.01565
   75    66 S   OH   _O37    72     1.42594   109.04391   -66.36322
   76    75 S   HO   _H27    73     0.97229   107.57114   -63.76830
   77    70 S   CT   _C4_    82     1.52121   111.41022  -176.41062
   78    77 S   HC   _H8_    83     1.09468   110.96964   -60.19444
   79    77 S   HC   _H9_    84     1.09448   110.24073  -179.91607
   80    77 S   HC   _H10    85     1.09391   111.12475    60.34577
   81    73 S   CM   _C11    64     1.34243   125.50565  -108.37052
   82    81 S   HC   _H16    65     1.08692   120.20232    -6.71814
   83    81 S   CT   _C12    66     1.49855   122.79896   164.95064
   84    83 S   HC   _H17    67     1.09659   111.36066    10.06310
   85    83 S   HC   _H18    68     1.09643   108.22488   126.95485
  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   8   5   4   3
  11   6   2   1   1  10   4   6   3   5   4   6   2   3   2   1
   1   9  12   7  10   3   9   5   4  10  16   8  14   7  11   5
   4  10   6   3   1   6   5   4   8   4   2   1   3   2   1   1
   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    50  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    49    40    41    44  
   42    43    46    40  
   41    44    45    50    51    42  
   44    45    50  
   43    46    47    48    49  
   46    47    48    49  
   45    50    51    52    53    55  
   50    51  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    58    83    55    56    57  
   52    53    54    58    59    81    83    84    85    55    56    57  
   53    54    58    83    55    56    57  
   54    58    59    60    61    83    55    56    57    63  
   58    59    55  
   56    57    58    73    81    82    83    84    85  
   57    81    83    84    85  
   81    83    84    85  
   59    60    61    62    66    68    63    64    65    70  
   60    61    62    66    67    73    75    68    69    63    64    65    70    71    72    77  
   61    62    66    68    63    64    65    70  
   62    66    67    73    74    81    75    76    68    69    63    64    65    70  
   66    67    73    75    68    69    63  
   64    65    70    71    72    77    78    79    80    66    68  
   65    70    71    72    77  
   70    71    72    77  
   67    73    74    81    82    83    75    76    68    69  
   73    74    81    75    76    68  
   69    73    75  
    0  
   71    72    77    78    79    80  
   72    77    78    79    80  
   77    78    79    80  
   74    81    82    83    84    85    75    76  
   81    82    83    75  
   76    81  
    0  
   78    79    80  
   79    80  
   80  
    0  
   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  -0.335000   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    50   440.000  1.360
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.522
   51    55   268.000  1.529
   53    54   570.000  1.229
   53    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    68   320.000  1.410
   66    67   340.000  1.090
   66    73   317.000  1.510
   66    75   320.000  1.410
   73    74   340.000  1.080
   73    81   549.000  1.340
   81    82   340.000  1.080
   81    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   75    76   553.000  0.945
   68    69   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
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    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    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   46    42    43    35.00000  117.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    50    80.00000  120.01400
   44    40    41    40.00000  120.50800
   44    50    51    90.00000  111.18400
   50    44    45    65.00000  121.00000
   50    51    52    35.00000  109.50000
   50    51    53    90.00000  108.74100
   50    51    55    50.00000  109.50000
   51    53    54    80.00000  120.40000
   51    53    58    81.00000  111.40000
   51    55    83    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   53    51    52    35.00000  109.50000
   53    58    59    83.00000  116.90000
   58    53    54    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   58    59    63    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    66    58.35000  112.70000
   59    61    68    50.00000  109.50000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    70    58.35000  112.70000
   61    59    60    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    73    70.00000  112.02700
   61    66    75    50.00000  109.50000
   61    68    69    55.00000  108.50000
   66    61    62    37.50000  110.70000
   66    73    74    35.00000  117.00000
   66    73    81    70.00000  124.00000
   66    75    76    55.00000  108.50000
   73    66    67    35.00000  109.50000
   73    81    82    35.00000  120.00000
   73    81    83    70.00000  124.00000
   81    73    74    35.00000  120.00000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    55    70.00000  112.02700
   83    81    82    35.00000  117.00000
   83    55    56    37.50000  110.70000
   83    55    57    37.50000  110.70000
   85    83    84    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    63.00000  111.10000
   55    83    84    37.50000  110.70000
   55    83    85    37.50000  110.70000
   57    55    56    33.00000  107.80000
   75    66    67    35.00000  109.50000
   75    66    73    90.00000  110.39200
   68    61    62    35.00000  109.50000
   68    61    66    50.00000  109.50000
   63    59    60    37.50000  110.70000
   63    59    61    58.35000  112.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    77    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   70    77    80    37.50000  110.70000
   72    70    71    33.00000  107.80000
   77    70    71    37.50000  110.70000
   77    70    72    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
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    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   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    50   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    49   0.00000  1.0 1.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    48   0.33100  1.0 3.0
   43    42    46    49   0.33100  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    50    51  -2.26850  1.0 1.0
   40    44    50    51   3.39050 -1.0 2.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    50   7.00000 -1.0 2.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.48150  1.0 1.0
   44    50    51    53   0.09250 -1.0 2.0
   44    50    51    53  -0.12850  1.0 3.0
   44    50    51    55  -0.46850  1.0 1.0
   44    50    51    55   0.09300 -1.0 2.0
   44    50    51    55  -0.12850  1.0 3.0
   45    44    50    51   2.00000 -1.0 2.0
   50    51    53    54   0.30150 -1.0 2.0
   50    51    53    58   0.40000  1.0 3.0
   50    51    55    83   0.62750  1.0 1.0
   50    51    55    83  -0.30950 -1.0 2.0
   50    51    55    83   0.27300  1.0 3.0
   50    51    55    56   0.23400  1.0 3.0
   50    51    55    57   0.23400  1.0 3.0
   51    53    58    59   1.63150  1.0 1.0
   51    53    58    59   2.92000 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    58   0.00000  1.0 1.0
   52    51    55    83   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   53    51    55    83  -0.95700  1.0 1.0
   53    51    55    83  -0.18200 -1.0 2.0
   53    51    55    83   0.29450  1.0 3.0
   53    51    55    56  -0.11250  1.0 3.0
   53    51    55    57  -0.11250  1.0 3.0
   53    58    59    60   0.08050  1.0 3.0
   53    58    59    61  -0.25900  1.0 1.0
   53    58    59    61  -0.47000 -1.0 2.0
   53    58    59    61   0.11750  1.0 3.0
   53    58    59    63  -0.25900  1.0 1.0
   53    58    59    63  -0.47000 -1.0 2.0
   53    58    59    63   0.11750  1.0 3.0
   54    53    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    66   0.62750  1.0 1.0
   58    59    61    66  -0.30950 -1.0 2.0
   58    59    61    66   0.27300  1.0 3.0
   58    59    61    68   3.69350  1.0 1.0
   58    59    61    68  -1.82950 -1.0 2.0
   58    59    63    64   0.23400  1.0 3.0
   58    59    63    65   0.23400  1.0 3.0
   58    59    63    70   0.62750  1.0 1.0
   58    59    63    70  -0.30950 -1.0 2.0
   58    59    63    70   0.27300  1.0 3.0
   59    61    66    67   0.15000  1.0 3.0
   59    61    66    73   0.34400  1.0 1.0
   59    61    66    73   0.09450 -1.0 2.0
   59    61    66    73   0.11100  1.0 3.0
   59    61    66    75   0.86500  1.0 1.0
   59    61    66    75  -0.17500 -1.0 2.0
   59    61    66    75   0.20800  1.0 3.0
   59    61    68    69  -0.11600  1.0 1.0
   59    61    68    69  -0.09450 -1.0 2.0
   59    61    68    69   0.21250  1.0 3.0
   59    63    70    71   0.15000  1.0 3.0
   59    63    70    72   0.15000  1.0 3.0
   59    63    70    77   0.56750  1.0 1.0
   59    63    70    77  -0.07550 -1.0 2.0
   59    63    70    77   0.20000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    66   0.15000  1.0 3.0
   60    59    61    68   0.23400  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    70   0.15000  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   61    59    63    70   0.56750  1.0 1.0
   61    59    63    70  -0.07550 -1.0 2.0
   61    59    63    70   0.20000  1.0 3.0
   61    66    73    74   0.00000  1.0 1.0
   61    66    73    81   0.09850  1.0 1.0
   61    66    73    81   0.15250 -1.0 2.0
   61    66    73    81  -0.50650  1.0 3.0
   61    66    75    76  -0.11600  1.0 1.0
   61    66    75    76  -0.09450 -1.0 2.0
   61    66    75    76   0.21250  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    73   0.15000  1.0 3.0
   62    61    66    75   0.23400  1.0 3.0
   62    61    68    69   0.19450  1.0 3.0
   66    61    68    69  -0.11600  1.0 1.0
   66    61    68    69  -0.09450 -1.0 2.0
   66    61    68    69   0.21250  1.0 3.0
   66    73    81    82   7.00000 -1.0 2.0
   66    73    81    83   7.00000 -1.0 2.0
   67    66    73    74   0.33100  1.0 3.0
   67    66    73    81   0.00000  1.0 1.0
   67    66    75    76   0.19450  1.0 3.0
   73    66    75    76  -0.07800  1.0 1.0
   73    66    75    76  -0.21500 -1.0 2.0
   73    66    75    76  -0.03150  1.0 3.0
   73    81    83    84   0.00000  1.0 1.0
   73    81    83    85   0.00000  1.0 1.0
   73    81    83    55   0.09850  1.0 1.0
   73    81    83    55   0.15250 -1.0 2.0
   73    81    83    55  -0.50650  1.0 3.0
   74    73    81    82   7.00000 -1.0 2.0
   74    73    81    83   7.00000 -1.0 2.0
   81    83    55    51   0.34400  1.0 1.0
   81    83    55    51   0.09450 -1.0 2.0
   81    83    55    51   0.11100  1.0 3.0
   81    83    55    56   0.15000  1.0 3.0
   81    83    55    57   0.15000  1.0 3.0
   82    81    83    84   0.33100  1.0 3.0
   82    81    83    85   0.33100  1.0 3.0
   82    81    83    55   0.00000  1.0 1.0
   84    83    55    51   0.15000  1.0 3.0
   84    83    55    56   0.15000  1.0 3.0
   84    83    55    57   0.15000  1.0 3.0
   85    83    55    51   0.15000  1.0 3.0
   85    83    55    56   0.15000  1.0 3.0
   85    83    55    57   0.15000  1.0 3.0
   55    51    53    54   0.30150 -1.0 2.0
   55    51    53    58   0.36750  1.0 3.0
   75    66    73    74   0.00000  1.0 1.0
   75    66    73    81   0.67800  1.0 1.0
   75    66    73    81   0.47050 -1.0 2.0
   75    66    73    81  -0.62500  1.0 3.0
   68    61    66    67   0.23400  1.0 3.0
   68    61    66    73   1.05650  1.0 1.0
   68    61    66    73   0.15600 -1.0 2.0
   68    61    66    73   0.53150  1.0 3.0
   68    61    66    75   3.75450  1.0 1.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    66   0.56750  1.0 1.0
   63    59    61    66  -0.07550 -1.0 2.0
   63    59    61    66   0.20000  1.0 3.0
   63    59    61    68   0.86500  1.0 1.0
   63    59    61    68  -0.17500 -1.0 2.0
   63    59    61    68   0.20800  1.0 3.0
   63    70    77    78   0.15000  1.0 3.0
   63    70    77    79   0.15000  1.0 3.0
   63    70    77    80   0.15000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    77   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    77   0.15000  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    79   0.15000  1.0 3.0
   71    70    77    80   0.15000  1.0 3.0
   72    70    77    78   0.15000  1.0 3.0
   72    70    77    79   0.15000  1.0 3.0
   72    70    77    80   0.15000  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
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   45    50    44    40  15.00000 -1.0 2.0
   51    58    53    54  10.50000 -1.0 2.0
   66    74    73    81   1.10000 -1.0 2.0
   83    82    81    73   1.10000 -1.0 2.0
END
