* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    160    248     466
    1     0 S   NP   _N1_     1    28.96097    92.75417   -22.37936
    2     1 S   H    _HN1     2     1.02762    98.38684   -75.71244
    3     1 S   H    _H1_     3     1.03211    96.10953    33.30868
    4     1 S   H    _H2_     4     1.02805    18.26157   161.11125
    5     1 S   CT   _CA1     5     1.50117   129.17332   156.42338
    6     5 S   HC   _HA1     6     1.09573   105.23906    63.11995
    7     5 S   CO3  _C1_     7     1.53780   112.47721   -57.03580
    8     7 S   O2Z  _O11     8     1.26328   115.14076   -44.37974
    9     7 S   O2Z  _O12     9     1.26271   114.85051   134.82322
   10     5 S   CT   _CB1    10     1.53014   107.34846  -179.03856
   11    10 S   HC   HB11    11     1.09807   109.35889   -51.02613
   12    10 S   HC   HB12    12     1.09580   110.07611    65.51724
   13    10 S   CT   _CG1    13     1.52935   113.14118  -172.86650
   14    13 S   HC   HG11    14     1.09591   110.24702   -62.82243
   15    13 S   HC   HG12    15     1.09621   110.22860    56.41236
   16    13 S   C    _CD1    16     1.51885   112.03647   176.42878
   17    16 S   O    _OE1    17     1.22725   123.19786   -14.03408
   18    16 S   N    _N2_    18     1.38576   111.82664   167.28876
   19    18 S   H    _HN2    19     1.01573   119.08865     0.88867
   20    18 S   CT1  _CA2    20     1.46116   123.31987   179.61033
   21    20 S   HC   _HA2    21     1.09594   109.35855    -6.29781
   22    20 S   C    _C2_    22     1.53463   108.50830  -121.41867
   23    22 S   O    _O2_    23     1.23023   122.18679  -146.14238
   24    20 S   CT   _CB2    32     1.53317   111.51804   116.15091
   25    24 S   HC   HB21    33     1.09649   109.70456    57.61694
   26    24 S   HC   HB22    34     1.09557   111.14673   175.17172
   27    22 S   N    _N3_    24     1.38495   113.42059    41.39775
   28    27 S   H    _HN3    25     1.01513   118.91571    -1.02984
   29    24 S   S    _SG2    35     1.82828   114.18292   -62.28394
   30    27 S   CT   _CA3    26     1.45448   123.59373   174.63440
   31    30 S   HC   HA31    27     1.09511   109.42264    21.09756
   32    30 S   HC   HA32    28     1.09499   107.09773   138.16574
   33    29 S   CT   _C22    36     1.82361    99.52525   -70.44309
   34    33 S   HC   _H23    37     1.09497   109.36352   -48.30061
   35    33 S   HC   _H24    38     1.09299   108.83335    67.41710
   36    30 S   CO3  _C3_    29     1.52924   112.90993  -102.47165
   37    36 S   O2Z  _O31    30     1.26418   115.34286   -45.71000
   38    36 S   O2Z  _O32    31     1.26341   115.02014   135.14908
   39    33 S   CM   _C20    39     1.52068   110.29254  -169.44738
   40    39 S   CMA  _C19    40     1.36657   123.19258   -98.94546
   41    40 S   OM   _O40    41     1.26874   125.44510   179.77794
   42    39 S   CT   _C21    80     1.51884   114.14353    82.23186
   43    42 S   HC   _H20    81     1.09387   113.30185  -178.24643
   44    42 S   HC   _H21    82     1.09497   110.31286   -57.91378
   45    40 S   OS   _O38    42     1.41923   111.57515     2.67489
   46    42 S   OH   _O39    83     1.42399   109.65989    61.47099
   47    46 S   HO   _H22    84     0.97192   106.80691   177.63049
   48    45 S   CT   _C7_    43     1.45472   116.68816  -136.48821
   49    48 S   HC   _H4_    44     1.09404   110.79700   -33.02856
   50    48 S   CT   _C8_    45     1.55311   103.67068    87.26165
   51    50 S   HC   _H10    46     1.09853   108.52811   -42.53290
   52    50 S   HC   _H11    47     1.09878   107.98089    69.41079
   53    48 S   CT   _C6_    62     1.56124   106.09052  -150.77877
   54    53 S   HC   _H3_    63     1.09948   108.13614   -70.56201
   55    50 S   C3T  _C9_    48     1.51292   119.74866  -163.76037
   56    53 S   CM   _C5_    64     1.51010   119.08649    49.84358
   57    55 S   C3T  _C10    49     1.53906   116.97905  -123.45006
   58    57 S   HC   _H5_    50     1.08307   119.06737     6.72339
   59    56 S   CO4  _C16    65     1.48117   107.77939   157.49889
   60    59 S   O    _O35    66     1.21778   127.48424   160.96687
   61    56 S   CM   _C4_    68     1.33652   133.84905   -20.06315
   62    61 S   HC   _H8_    69     1.08134   122.78538    -1.52752
   63    61 S   HC   _H9_    70     1.08614   121.51080   178.77523
   64    55 S   CO   _C18    75     1.51851   119.23434    43.50994
   65    64 S   HC   _H7_    76     1.09589   111.57792   162.66725
   66    57 S   CT   _C11    51     1.49842   121.35018   155.09504
   67    66 S   HC   _H12    52     1.09630   109.26489   160.17263
   68    66 S   HC   _H13    53     1.09538   111.50937    43.40263
   69    82 S   OS   _O34    67     1.44261   106.54470   129.60354
   70    64 S   OH   _O37    77     1.42664   108.55433    46.10906
   71    70 S   HO   _H19    78     0.97124   106.95439   158.26974
   72    55 S   O3T  _O33    79     1.45536   112.31607   174.04099
   73    66 S   CT   _C12    54     1.53835   110.83399   -79.54181
   74    73 S   HC   _H14    55     1.09784   108.69631   -77.63982
   75    73 S   HC   _H15    56     1.09595   110.47458   166.29968
   76    73 S   CM   _C13    57     1.51328   110.64145    43.52714
   77    76 S   CM   _C14    58     1.34836   119.42983  -100.42746
   78    77 S   HC   _H16    59     1.08905   118.70959    -6.71090
   79    76 S   CT   _C17    71     1.50849   115.98623    68.98166
   80    79 S   HC   _H17    72     1.09606   112.32792     7.32022
   81    79 S   HC   _H18    73     1.09588   109.07490   124.87982
   82    77 S   CT   _C15    60     1.49544   125.79995   168.40210
   83    82 S   HC   _H6_    61     1.09633   111.87333    14.13162
   84    79 S   OS   _O36    74     1.42889   111.53882  -116.29154
  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   6   5   4   3
  10   4   3   2   1   1   9  10   3   5   3   2  10   1   1  17
   8  15   6   5  14   7  13   9  13   6   8   3   4   1   1  10
   5   9   6   5   5   4   1   2  10   4   3   8   7   3   4   2
   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    45    42    43    44    46  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    45    48    42    43    44    46    47  
   41    45    48    49    50    53    42    43    44    46  
   45    48    42  
   43    44    46    47    45  
   44    46    47  
   46    47  
   48    49    50    51    52    55    82    53    54    56  
   47  
    0  
   49    50    51    52    55    57    77    82    83    53    54    56    59    69    61    64    72  
   50    51    52    55    82    53    54    56  
   51    52    55    57    58    66    82    53    54    56    84    64    65    70    72  
   52    55    57    53    64    72  
   55    57    53    64    72  
   54    56    59    60    69    61    62    63    55    76    77    78    82    83  
   56    59    69    61    77    82    83  
   57    58    66    67    68    73    79    84    64    65    70    71    72  
   59    60    69    61    62    63    77    82    83  
   58    66    67    68    73    74    75    76    84    64    65    70    72  
   66    67    68    73    64    72  
   60    69    61    62    63    77    82    83  
   69    61    82  
   62    63    69    82  
   63  
    0  
   65    70    71    72    66    76    79    80    81    84  
   70    71    72    79    84  
   67    68    73    74    75    76    77    79    72  
   68    73    74    75    76    72  
   73    74    75    76    72  
   76    77    78    82    83  
   71    72    79    84  
   84  
   73    84  
   74    75    76    77    78    82    79    80    81    84  
   75    76    77    79  
   76    77    79  
   77    78    82    83    79    80    81    84  
   78    82    83    79    80    81    84  
   82    83    79  
   80    81    84    82  
   81    84  
   84  
   83  
    0  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    45   440.000  1.360
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   275.000  1.510
   55    57   260.000  1.509
   55    64   275.000  1.510
   55    72   335.000  1.432
   57    58   340.000  1.088
   57    66   275.000  1.510
   57    72   335.000  1.432
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.510
   76    77   549.000  1.340
   76    79   317.000  1.510
   77    78   340.000  1.080
   77    82   317.000  1.510
   82    83   340.000  1.090
   82    53   268.000  1.529
   82    69   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    59   320.000  1.462
   56    61   549.000  1.340
   59    60   570.000  1.229
   59    69   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   320.000  1.410
   84    64   320.000  1.380
   64    65   340.000  1.090
   64    70   380.000  1.407
   70    71   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   320.000  1.410
   46    47   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    45    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    46    90.00000  110.39200
   40    45    48    90.00000  111.18400
   45    40    41    65.00000  121.00000
   45    48    49    35.00000  109.50000
   45    48    50    50.00000  109.50000
   45    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    70.00000  112.37300
   48    53    82    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    60.00000  120.94000
   50    55    64    75.00000  109.43000
   50    55    72    80.00000  116.47100
   52    50    51    33.00000  107.80000
   55    50    51    45.00000  109.38400
   55    50    52    45.00000  109.38400
   55    57    58    37.50000  117.20000
   55    57    66    60.00000  120.94000
   55    57    72    15.00000   60.43100
   55    64    84    90.00000  108.56700
   55    64    65    45.00000  112.01100
   55    64    70    90.00000  110.19100
   55    72    57    15.00000   59.14900
   57    66    67    45.00000  109.38400
   57    66    68    45.00000  109.38400
   57    66    73    70.00000  112.37300
   66    57    58    40.00000  115.04500
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    70.00000  112.02700
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    76    77    70.00000  124.00000
   73    76    79    65.00000  117.92700
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    77    78    35.00000  120.00000
   76    77    82    70.00000  124.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    84    85.00000  110.90400
   77    82    83    35.00000  109.50000
   77    82    53    70.00000  112.02700
   77    82    69    85.00000  110.90400
   82    77    78    35.00000  117.00000
   82    53    54    37.50000  110.70000
   82    53    56    70.00000  112.02700
   82    69    59    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    82    83    37.50000  110.70000
   53    56    59    65.00000  116.34900
   53    56    61    70.00000  124.00000
   56    53    54    35.00000  109.50000
   56    59    60    80.00000  123.72100
   56    59    69    90.00000  111.29400
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   69    82    83    35.00000  109.50000
   69    82    53    50.00000  109.50000
   69    59    60    83.00000  123.40000
   61    56    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   79    76    77    70.00000  124.00000
   79    84    64    60.00000  109.50000
   81    79    80    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    81    35.00000  109.50000
   84    64    65    35.00000  109.50000
   84    64    70   110.00000  112.08000
   64    55    57    60.00000  120.94000
   64    70    71    70.00000  107.92000
   70    64    65    60.00000  108.02500
   72    55    57    15.00000   60.43100
   72    55    64    80.00000  116.47100
   72    57    58    50.00000  114.27700
   72    57    66    80.00000  116.47100
   42    39    40    70.00000  124.00000
   42    46    47    55.00000  108.50000
   44    42    43    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    45   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    46   0.18000  1.0 1.0
   33    39    42    46   0.16450 -1.0 2.0
   33    39    42    46   0.04450  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    45    48  -2.26850  1.0 1.0
   39    40    45    48   3.39050 -1.0 2.0
   39    42    46    47  -0.07800  1.0 1.0
   39    42    46    47  -0.21500 -1.0 2.0
   39    42    46    47  -0.03150  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    46   0.67800  1.0 1.0
   40    39    42    46   0.47050 -1.0 2.0
   40    39    42    46  -0.62500  1.0 3.0
   40    45    48    49   0.08050  1.0 3.0
   40    45    48    50  -0.46850  1.0 1.0
   40    45    48    50   0.09300 -1.0 2.0
   40    45    48    50  -0.12850  1.0 3.0
   40    45    48    53  -0.46850  1.0 1.0
   40    45    48    53   0.09300 -1.0 2.0
   40    45    48    53  -0.12850  1.0 3.0
   41    40    45    48   2.00000 -1.0 2.0
   45    48    50    51   0.23400  1.0 3.0
   45    48    50    52   0.23400  1.0 3.0
   45    48    50    55  -0.26800  1.0 1.0
   45    48    50    55   0.69150 -1.0 2.0
   45    48    50    55  -0.48750  1.0 3.0
   45    48    53    82   0.62750  1.0 1.0
   45    48    53    82  -0.30950 -1.0 2.0
   45    48    53    82   0.27300  1.0 3.0
   45    48    53    54   0.23400  1.0 3.0
   45    48    53    56   0.61850  1.0 1.0
   45    48    53    56  -0.22750 -1.0 2.0
   45    48    53    56   0.15300  1.0 3.0
   48    50    55    57   0.07850  1.0 1.0
   48    50    55    57  -0.03950 -1.0 2.0
   48    50    55    57   0.67350  1.0 3.0
   48    50    55    64   3.97050  1.0 1.0
   48    50    55    72   0.02550  1.0 1.0
   48    50    55    72  -0.02600 -1.0 2.0
   48    50    55    72   1.20400  1.0 3.0
   48    53    56    59   0.09700  1.0 1.0
   48    53    56    59   0.15600 -1.0 2.0
   48    53    56    59  -0.50800  1.0 3.0
   48    53    56    61   0.09850  1.0 1.0
   48    53    56    61   0.15250 -1.0 2.0
   48    53    56    61  -0.50650  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    82   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    82   0.56750  1.0 1.0
   50    48    53    82  -0.07550 -1.0 2.0
   50    48    53    82   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   0.15000  1.0 3.0
   50    55    57    66   0.56750  1.0 1.0
   50    55    57    66  -0.07550 -1.0 2.0
   50    55    57    66   0.20000  1.0 3.0
   50    55   -57    72   0.02550  1.0 1.0
   50    55   -57    72  -0.02600 -1.0 2.0
   50    55   -57    72   1.20400  1.0 3.0
   50    55    64    84   0.62750  1.0 1.0
   50    55    64    84  -0.30950 -1.0 2.0
   50    55    64    84   0.27300  1.0 3.0
   50    55    64    65   0.15000  1.0 3.0
   50    55    64    70   0.86500  1.0 1.0
   50    55    64    70  -0.17500 -1.0 2.0
   50    55    64    70   0.20800  1.0 3.0
   50    55   -72    57   0.06250  1.0 1.0
   50    55   -72    57  -0.01100 -1.0 2.0
   50    55   -72    57   0.28050  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    64   0.15000  1.0 3.0
   51    50    55    72   0.23400  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    64   0.15000  1.0 3.0
   52    50    55    72   0.23400  1.0 3.0
   55    57    66    67   0.15000  1.0 3.0
   55    57    66    68   0.15000  1.0 3.0
   55    57    66    73   0.07850  1.0 1.0
   55    57    66    73  -0.03950 -1.0 2.0
   55    57    66    73   0.67350  1.0 3.0
   55    64    70    71  -0.11600  1.0 1.0
   55    64    70    71  -0.09450 -1.0 2.0
   55    64    70    71   0.21250  1.0 3.0
   57    55    64    84  -0.26800  1.0 1.0
   57    55    64    84   0.69150 -1.0 2.0
   57    55    64    84  -0.48750  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    70   0.86500  1.0 1.0
   57    55    64    70  -0.17500 -1.0 2.0
   57    55    64    70   0.20800  1.0 3.0
   57    66    73    74   0.15000  1.0 3.0
   57    66    73    75   0.15000  1.0 3.0
   57    66    73    76   0.34400  1.0 1.0
   57    66    73    76   0.09450 -1.0 2.0
   57    66    73    76   0.11100  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    68   0.15000  1.0 3.0
   58    57    66    73   0.15000  1.0 3.0
   58    57   -72    55   0.36800  1.0 3.0
   66    57   -72    55   0.06250  1.0 1.0
   66    57   -72    55  -0.01100 -1.0 2.0
   66    57   -72    55   0.28050  1.0 3.0
   66    73    76    77   0.09850  1.0 1.0
   66    73    76    77   0.15250 -1.0 2.0
   66    73    76    77  -0.50650  1.0 3.0
   66    73    76    79   0.46850  1.0 1.0
   66    73    76    79   0.08550 -1.0 2.0
   66    73    76    79   0.09800  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.15000  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   68    66    73    76   0.15000  1.0 3.0
   73    76    77    78   7.00000 -1.0 2.0
   73    76    77    82   7.00000 -1.0 2.0
   73    76    79    80   0.34800  1.0 3.0
   73    76    79    81   0.34800  1.0 3.0
   73    76    79    84   0.09700  1.0 1.0
   73    76    79    84   0.15600 -1.0 2.0
   73    76    79    84  -0.50800  1.0 3.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    79   0.34800  1.0 3.0
   75    73    76    77   0.00000  1.0 1.0
   75    73    76    79   0.34800  1.0 3.0
   76    77    82    83   0.00000  1.0 1.0
   76    77    82    53   0.09850  1.0 1.0
   76    77    82    53   0.15250 -1.0 2.0
   76    77    82    53  -0.50650  1.0 3.0
   76    77    82    69   0.39000  1.0 1.0
   76    77    82    69  -0.05800 -1.0 2.0
   76    77    82    69  -0.55150  1.0 3.0
   76    79    84    64  -0.77900  1.0 1.0
   76    79    84    64  -0.36900 -1.0 2.0
   76    79    84    64   0.40400  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    84   0.39000  1.0 1.0
   77    76    79    84  -0.05800 -1.0 2.0
   77    76    79    84  -0.55150  1.0 3.0
   77    82    53    48   0.34400  1.0 1.0
   77    82    53    48   0.09450 -1.0 2.0
   77    82    53    48   0.11100  1.0 3.0
   77    82    53    54   0.15000  1.0 3.0
   77    82    53    56   0.31000  1.0 1.0
   77    82    53    56   0.14700 -1.0 2.0
   77    82    53    56   0.07550  1.0 3.0
   77    82    69    59  -0.82050  1.0 1.0
   77    82    69    59   0.00600 -1.0 2.0
   77    82    69    59   0.04400  1.0 3.0
   78    77    82    83   0.33100  1.0 3.0
   78    77    82    53   0.00000  1.0 1.0
   78    77    82    69   0.00000  1.0 1.0
   82    53   -56    59   0.09700  1.0 1.0
   82    53   -56    59   0.15600 -1.0 2.0
   82    53   -56    59  -0.50800  1.0 3.0
   82    53    56    61   0.09850  1.0 1.0
   82    53    56    61   0.15250 -1.0 2.0
   82    53    56    61  -0.50650  1.0 3.0
   83    82    53    48   0.15000  1.0 3.0
   83    82    53    54   0.15000  1.0 3.0
   83    82    53    56   0.15000  1.0 3.0
   83    82    69    59   0.08050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    55   0.47050  1.0 1.0
   53    48    50    55   0.03900 -1.0 2.0
   53    48    50    55   0.20100  1.0 3.0
   53    82   -69    59  -0.25900  1.0 1.0
   53    82   -69    59  -0.47000 -1.0 2.0
   53    82   -69    59   0.11750  1.0 3.0
   53    56    59    60  -0.64400  1.0 1.0
   53    56    59    60   0.26850 -1.0 2.0
   53    56   -59    69  -0.15000  1.0 1.0
   53    56   -59    69   0.89550 -1.0 2.0
   53    56   -59    69  -0.06900  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    63   7.00000 -1.0 2.0
   54    53    56    59   0.15000  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   56    59   -69    82   2.00000 -1.0 2.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   60    59    69    82   3.00000 -1.0 2.0
   69    82    53    48   0.62750  1.0 1.0
   69    82    53    48  -0.30950 -1.0 2.0
   69    82    53    48   0.27300  1.0 3.0
   69    82    53    54   0.23400  1.0 3.0
   69    82   -53    56   0.61850  1.0 1.0
   69    82   -53    56  -0.22750 -1.0 2.0
   69    82   -53    56   0.15300  1.0 3.0
   61    56    59    60   1.00000 -1.0 2.0
   61    56    59    69  -0.56150  1.0 1.0
   61    56    59    69   2.19150 -1.0 2.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    82   7.00000 -1.0 2.0
   79    84    64    55   0.06250  1.0 1.0
   79    84    64    55  -0.01100 -1.0 2.0
   79    84    64    55   0.28050  1.0 3.0
   79    84    64    65   0.37050  1.0 3.0
   79    84    64    70  -0.70900  1.0 1.0
   79    84    64    70  -1.18000 -1.0 2.0
   79    84    64    70   0.91650  1.0 3.0
   80    79    84    64   0.37050  1.0 3.0
   81    79    84    64   0.37050  1.0 3.0
   84    64    70    71  -0.50000  1.0 1.0
   84    64    70    71  -0.73950 -1.0 2.0
   84    64    70    71   0.17150  1.0 3.0
   64    55    57    58   0.15000  1.0 3.0
   64    55    57    66   3.97050  1.0 1.0
   64    55   -57    72   0.02550  1.0 1.0
   64    55   -57    72  -0.02600 -1.0 2.0
   64    55   -57    72   1.20400  1.0 3.0
   64    55   -72    57   0.06250  1.0 1.0
   64    55   -72    57  -0.01100 -1.0 2.0
   64    55   -72    57   0.28050  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   72    55   -57    58   0.23400  1.0 3.0
   72    55   -57    66   0.02550  1.0 1.0
   72    55   -57    66  -0.02600 -1.0 2.0
   72    55   -57    66   1.20400  1.0 3.0
   72    55    64    84   1.11900  1.0 1.0
   72    55    64    84  -1.16350 -1.0 2.0
   72    55    64    84  -0.34150  1.0 3.0
   72    55    64    65   0.23400  1.0 3.0
   72    55    64    70   3.69350  1.0 1.0
   72    55    64    70  -1.82950 -1.0 2.0
   72    57    66    67   0.23400  1.0 3.0
   72    57    66    68   0.23400  1.0 3.0
   72    57    66    73   0.02550  1.0 1.0
   72    57    66    73  -0.02600 -1.0 2.0
   72    57    66    73   1.20400  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    45   7.00000 -1.0 2.0
   43    42    46    47   0.19450  1.0 3.0
   44    42    46    47   0.19450  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
   37    30    36    38  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    45    40    39  15.00000 -1.0 2.0
   73    79    76    77   1.10000 -1.0 2.0
   82    78    77    76   1.10000 -1.0 2.0
   53    59    56    61   1.10000 -1.0 2.0
   56    69    59    60  10.50000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
END
