* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    148    225     429
    1     0 S   NP   _N1_     1    29.10167    98.94853   -21.85143
    2     1 S   H    _HN1     2     1.02832    54.92556   165.07740
    3     1 S   H    _H1_     3     1.02803   100.12315   -90.14893
    4     1 S   H    _H2_     4     1.02944    57.87088    15.28703
    5     1 S   CT   _CA1     5     1.50118   147.68255    92.57755
    6     5 S   HC   _HA1     6     1.09572   105.13477   115.81083
    7     5 S   CO3  _C1_     7     1.53660   112.62450    -4.35896
    8     7 S   O2Z  _O11     8     1.26368   115.08532   -39.64462
    9     7 S   O2Z  _O12     9     1.26221   115.00271   139.76332
   10     5 S   CT   _CB1    10     1.53092   107.43796  -126.18459
   11    10 S   HC   HB11    11     1.09841   109.16572   -49.12357
   12    10 S   HC   HB12    12     1.09810   110.52286    67.43090
   13    10 S   CT   _CG1    13     1.53053   112.75887  -170.08972
   14    13 S   HC   HG11    14     1.09526   110.84872   -70.31371
   15    13 S   HC   HG12    15     1.09677   109.64440    48.91185
   16    13 S   C    _CD1    16     1.51842   111.93692   169.26520
   17    16 S   O    _OE1    17     1.22742   123.17145    14.65390
   18    16 S   N    _N2_    18     1.38557   111.77415  -165.25179
   19    18 S   H    _HN2    19     1.01610   118.98320    -0.57912
   20    18 S   CT1  _CA2    20     1.46319   123.57473   174.05317
   21    20 S   HC   _HA2    21     1.09734   109.43278     4.78213
   22    20 S   C    _C2_    22     1.53684   108.63625  -110.51095
   23    22 S   O    _O2_    23     1.23065   122.30243  -150.16729
   24    20 S   CT   _CB2    32     1.53144   111.12821   127.16728
   25    24 S   HC   HB21    33     1.09442   109.54880    52.09858
   26    24 S   HC   HB22    34     1.09486   111.06304   170.88074
   27    22 S   N    _N3_    24     1.38340   113.77916    37.50480
   28    27 S   H    _HN3    25     1.01546   119.54858    -3.48459
   29    24 S   S    _SG2    35     1.82797   111.12905   -70.06943
   30    27 S   CT   _CA3    26     1.45261   123.34461   177.20313
   31    30 S   HC   HA31    27     1.09545   107.54794   -64.39120
   32    30 S   HC   HA32    28     1.09554   107.97270    52.08112
   33    29 S   CT   _C22    36     1.82331    99.55021   152.62587
   34    33 S   HC   _H21    37     1.09509   107.73712    43.28245
   35    33 S   HC   _H22    38     1.09127   109.38198   156.80474
   36    30 S   CO3  _C3_    29     1.52983   113.99172   174.08202
   37    36 S   O2Z  _O31    30     1.26394   116.07759     0.62118
   38    36 S   O2Z  _O32    31     1.26423   114.42121  -179.34598
   39    33 S   CM   _C20    39     1.50479   111.41810   -80.88992
   40    39 S   CMA  _C21    40     1.35488   124.59240   118.14055
   41    40 S   OM   _O38    41     1.26351   128.08281     4.36323
   42    40 S   OS   _O37    42     1.41743   110.06687  -172.44628
   43    42 S   CT   _C7_    43     1.42999   105.61269   -18.82523
   44    43 S   HC   _H3_    44     1.09666   106.88931   -89.58287
   45    43 S   CM   _C6_    45     1.50090   108.62440   149.74272
   46    45 S   HC   _H10    46     1.09000   114.17046   -72.92737
   47    39 S   CT   _C8_    64     1.51255   123.55740   -54.91440
   48    47 S   HC   _H4_    65     1.09917   106.23962    74.90671
   49    45 S   CM   _C5_    47     1.34874   126.75335   119.00860
   50    49 S   CT   _C14    48     1.52832   118.65873   155.59130
   51    50 S   HC   _H14    49     1.09684   109.66908    44.83396
   52    50 S   HC   _H15    50     1.09683   109.08355   161.32087
   53    49 S   CT   _C4_    77     1.50272   124.74462   -16.70627
   54    53 S   HC   _H7_    78     1.09263   111.41037   105.92769
   55    53 S   HC   _H8_    79     1.09342   112.65125   -15.88897
   56    53 S   HC   _H9_    80     1.09546   109.80805  -134.18548
   57    50 S   CT   _C13    51     1.55602   112.28733   -77.38723
   58    57 S   HC   _H6_    52     1.09437   111.07735   178.46890
   59    57 S   CM   _C12    53     1.48449   112.95252    52.34404
   60    59 S   HC   _H13    54     1.08013   123.65844    65.17898
   61    59 S   CM   _C11    55     1.33200   110.58090  -102.23749
   62    61 S   CO4  _C15    56     1.46953   106.24528   -12.54915
   63    62 S   O    _O34    57     1.21850   125.67971  -175.41713
   64    61 S   CT   _C10    59     1.48290   129.36999   164.71314
   65    64 S   HC   _H11    60     1.09816   110.41675    19.12316
   66    64 S   HC   _H12    61     1.09806   108.14449   132.90742
   67    57 S   OS   _O33    58     1.43646   109.46981   -61.70000
   68    64 S   CT   _C9_    62     1.55990   114.73758  -104.40696
   69    68 S   HC   _H5_    63     1.09672   109.50674   -46.61604
   70    68 S   OS   _O35    66     1.44894   104.67754  -163.32211
   71    70 S   CO4  _C16    67     1.36221   117.32017    92.11130
   72    71 S   O    _O36    68     1.22280   126.24301     4.24002
   73    71 S   CM   _C17    69     1.48741   109.88828  -174.80899
   74    73 S   CM   _C18    70     1.34135   117.16971  -160.77744
   75    74 S   HC   _H16    71     1.08548   120.94714  -178.70653
   76    74 S   HC   _H17    72     1.08546   122.36974     1.67035
   77    73 S   CT   _C19    73     1.49595   120.20049    21.92727
   78    77 S   HC   _H18    74     1.09290   110.61342   -75.40381
   79    77 S   HC   _H19    75     1.09499   110.80771    45.43840
   80    77 S   HC   _H20    76     1.09551   111.69895   164.86261
  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  12   8   3   8  12   6  13   4  10   4
  11  13   6   5   4   2   1   1   8   5   9   4   9   6   2   7
   4   3   1   5   2   5   9   3   7   6   2   1   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    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    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    68    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    64    68    69    47    48    70  
   41    42    43    44    45    68    47    48  
   42    43    47  
   43    44    45    46    49    68    47    48  
   44    45    46    49    50    64    68    69    47    48    70    53  
   45    46    49    68    47    48  
   46    49    50    51    52    57    68    47    48    53    54    55    56  
   49    50    47    53  
   48    70    71    49    61    64    65    66    68    69  
   70    64    68    69  
   50    51    52    57    58    59    67    53    54    55    56  
   51    52    57    58    59    60    61    62    67    53    54    55    56  
   52    57    58    59    67    53  
   57    58    59    67    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63    67    64  
   59    60    61    62    67  
   60    61    62    63    67    64    65    66    68  
   61    62    67    64  
   62    63    67    64    65    66    68    69    70  
   63    67    64    65    66    68  
   67    64  
   65    66    68    69    70    71    67  
   66    68    69    70  
   68    69    70  
    0  
   69    70    71    72    73  
   70    71  
   71    72    73    74    77  
   72    73    74    75    76    77    78    79    80  
   73    74    77  
   74    75    76    77    78    79    80  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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
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    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   317.000  1.510
   49    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   317.000  1.510
   57    67   320.000  1.410
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   320.000  1.462
   61    64   317.000  1.510
   62    63   570.000  1.229
   62    67   214.000  1.327
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    47   268.000  1.529
   68    70   320.000  1.410
   47    48   340.000  1.090
   70    71   214.000  1.327
   71    72   570.000  1.229
   71    73   320.000  1.462
   73    74   549.000  1.340
   73    77   317.000  1.510
   74    75   340.000  1.080
   74    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    47    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    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    68    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    68    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  124.00000
   45    49    53    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    52    35.00000  109.50000
   49    50    57    70.00000  112.02700
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    70.00000  112.02700
   50    57    67    50.00000  109.50000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    59    60    35.00000  117.00000
   57    59    61    70.00000  124.00000
   57    67    62    83.00000  116.90000
   59    57    58    35.00000  109.50000
   59    61    62    65.00000  118.96000
   59    61    64    70.00000  124.00000
   61    59    60    35.00000  120.00000
   61    62    63    80.00000  123.72100
   61    62    67    90.00000  111.29400
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    68    70.00000  112.02700
   67    57    58    35.00000  109.50000
   67    57    59    85.00000  110.90400
   67    62    63    83.00000  123.40000
   64    61    62    65.00000  116.34900
   64    68    69    37.50000  110.70000
   64    68    47    58.35000  112.70000
   64    68    70    50.00000  109.50000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    47    48    37.50000  110.70000
   68    70    71    83.00000  116.90000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    68    69    37.50000  110.70000
   70    68    69    35.00000  109.50000
   70    68    47    50.00000  109.50000
   70    71    72    83.00000  123.40000
   70    71    73    90.00000  111.29400
   71    73    74    65.00000  118.96000
   71    73    77    65.00000  116.34900
   73    71    72    80.00000  123.72100
   73    74    75    35.00000  120.00000
   73    74    76    35.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    73    74    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   53    49    50    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    68   0.46850  1.0 1.0
   33    39    47    68   0.08550 -1.0 2.0
   33    39    47    68   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    68   0.09850  1.0 1.0
   40    39    47    68   0.15250 -1.0 2.0
   40    39    47    68  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    68   0.62750  1.0 1.0
   42    43    47    68  -0.30950 -1.0 2.0
   42    43    47    68   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    53   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    68   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    68   0.34400  1.0 1.0
   45    43    47    68   0.09450 -1.0 2.0
   45    43    47    68   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   0.00000  1.0 1.0
   45    49    50    52   0.00000  1.0 1.0
   45    49    50    57   0.09850  1.0 1.0
   45    49    50    57   0.15250 -1.0 2.0
   45    49    50    57  -0.50650  1.0 3.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    55   0.00000  1.0 1.0
   45    49    53    56   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   49    50    57    58   0.15000  1.0 3.0
   49    50    57    59   0.31000  1.0 1.0
   49    50    57    59   0.14700 -1.0 2.0
   49    50    57    59   0.07550  1.0 3.0
   49    50    57    67   0.61850  1.0 1.0
   49    50    57    67  -0.22750 -1.0 2.0
   49    50    57    67   0.15300  1.0 3.0
   50    49    53    54   0.34800  1.0 3.0
   50    49    53    55   0.34800  1.0 3.0
   50    49    53    56   0.34800  1.0 3.0
   50    57    59    60   0.00000  1.0 1.0
   50    57    59    61   0.09850  1.0 1.0
   50    57    59    61   0.15250 -1.0 2.0
   50    57    59    61  -0.50650  1.0 3.0
   50    57    67    62  -0.25900  1.0 1.0
   50    57    67    62  -0.47000 -1.0 2.0
   50    57    67    62   0.11750  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    67   0.23400  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    67   0.23400  1.0 3.0
   57    59   -61    62   7.00000 -1.0 2.0
   57    59    61    64   7.00000 -1.0 2.0
   58    57    59    60   0.33100  1.0 3.0
   58    57    59    61   0.00000  1.0 1.0
   58    57    67    62   0.08050  1.0 3.0
   59    57   -67    62  -0.82050  1.0 1.0
   59    57   -67    62   0.00600 -1.0 2.0
   59    57   -67    62   0.04400  1.0 3.0
   59    61    62    63   1.00000 -1.0 2.0
   59    61   -62    67  -0.56150  1.0 1.0
   59    61   -62    67   2.19150 -1.0 2.0
   59    61    64    65   0.00000  1.0 1.0
   59    61    64    66   0.00000  1.0 1.0
   59    61    64    68   0.09850  1.0 1.0
   59    61    64    68   0.15250 -1.0 2.0
   59    61    64    68  -0.50650  1.0 3.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    64   7.00000 -1.0 2.0
   61    62   -67    57   2.00000 -1.0 2.0
   61    64    68    69   0.15000  1.0 3.0
   61    64    68    47   0.34400  1.0 1.0
   61    64    68    47   0.09450 -1.0 2.0
   61    64    68    47   0.11100  1.0 3.0
   61    64    68    70   0.61850  1.0 1.0
   61    64    68    70  -0.22750 -1.0 2.0
   61    64    68    70   0.15300  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    68   0.09700  1.0 1.0
   62    61    64    68   0.15600 -1.0 2.0
   62    61    64    68  -0.50800  1.0 3.0
   63    62    67    57   3.00000 -1.0 2.0
   67    57    59    60   0.00000  1.0 1.0
   67    57   -59    61   0.39000  1.0 1.0
   67    57   -59    61  -0.05800 -1.0 2.0
   67    57   -59    61  -0.55150  1.0 3.0
   64    61    62    63  -0.64400  1.0 1.0
   64    61    62    63   0.26850 -1.0 2.0
   64    61    62    67  -0.15000  1.0 1.0
   64    61    62    67   0.89550 -1.0 2.0
   64    61    62    67  -0.06900  1.0 3.0
   64    68    47    39   0.34400  1.0 1.0
   64    68    47    39   0.09450 -1.0 2.0
   64    68    47    39   0.11100  1.0 3.0
   64    68    47    43   0.56750  1.0 1.0
   64    68    47    43  -0.07550 -1.0 2.0
   64    68    47    43   0.20000  1.0 3.0
   64    68    47    48   0.15000  1.0 3.0
   64    68    70    71  -0.25900  1.0 1.0
   64    68    70    71  -0.47000 -1.0 2.0
   64    68    70    71   0.11750  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    47   0.15000  1.0 3.0
   65    64    68    70   0.23400  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    47   0.15000  1.0 3.0
   66    64    68    70   0.23400  1.0 3.0
   68    70    71    72   3.00000 -1.0 2.0
   68    70    71    73   2.00000 -1.0 2.0
   69    68    47    39   0.15000  1.0 3.0
   69    68    47    43   0.15000  1.0 3.0
   69    68    47    48   0.15000  1.0 3.0
   69    68    70    71   0.08050  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   47    68    70    71  -0.25900  1.0 1.0
   47    68    70    71  -0.47000 -1.0 2.0
   47    68    70    71   0.11750  1.0 3.0
   70    68    47    39   0.61850  1.0 1.0
   70    68    47    39  -0.22750 -1.0 2.0
   70    68    47    39   0.15300  1.0 3.0
   70    68    47    43   0.62750  1.0 1.0
   70    68    47    43  -0.30950 -1.0 2.0
   70    68    47    43   0.27300  1.0 3.0
   70    68    47    48   0.23400  1.0 3.0
   70    71    73    74  -0.56150  1.0 1.0
   70    71    73    74   2.19150 -1.0 2.0
   70    71    73    77  -0.15000  1.0 1.0
   70    71    73    77   0.89550 -1.0 2.0
   70    71    73    77  -0.06900  1.0 3.0
   71    73    74    75   7.00000 -1.0 2.0
   71    73    74    76   7.00000 -1.0 2.0
   71    73    77    78   0.15000  1.0 3.0
   71    73    77    79   0.15000  1.0 3.0
   71    73    77    80   0.15000  1.0 3.0
   72    71    73    74   1.00000 -1.0 2.0
   72    71    73    77  -0.64400  1.0 1.0
   72    71    73    77   0.26850 -1.0 2.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    80   0.00000  1.0 1.0
   77    73    74    75   7.00000 -1.0 2.0
   77    73    74    76   7.00000 -1.0 2.0
   53    49    50    51   0.34800  1.0 3.0
   53    49    50    52   0.34800  1.0 3.0
   53    49    50    57   0.46850  1.0 1.0
   53    49    50    57   0.08550 -1.0 2.0
   53    49    50    57   0.09800  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    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    53    49    45   1.10000 -1.0 2.0
   57    60    59    61   1.10000 -1.0 2.0
   62    64    61    59   1.10000 -1.0 2.0
   61    67    62    63  10.50000 -1.0 2.0
   70    73    71    72  10.50000 -1.0 2.0
   71    77    73    74  15.00000 -1.0 2.0
   75    76    74    73  15.00000 -1.0 2.0
END
