* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    155    241     462
    1     0 S   NP   _N1_     1    28.08652    97.80506   -22.40328
    2     1 S   H    _HN1     2     1.02773   105.91056  -116.97346
    3     1 S   H    _H1_     3     1.02952    68.88897   -13.04695
    4     1 S   H    _H2_     4     1.02830    41.21548   143.83691
    5     1 S   CT   _CA1     5     1.50169   139.29080    84.04982
    6     5 S   HC   _HA1     6     1.09574   105.19013    96.84926
    7     5 S   CO3  _C1_     7     1.53791   112.13864   -23.30374
    8     7 S   O2Z  _O11     8     1.26381   114.98951   -47.06254
    9     7 S   O2Z  _O12     9     1.26214   114.93445   131.66836
   10     5 S   CT   _CB1    10     1.53067   107.36360  -145.29027
   11    10 S   HC   HB11    11     1.09835   109.38344   -49.59889
   12    10 S   HC   HB12    12     1.09812   110.44885    66.96149
   13    10 S   CT   _CG1    13     1.53031   112.66968  -170.56735
   14    13 S   HC   HG11    14     1.09590   110.58796   -64.50732
   15    13 S   HC   HG12    15     1.09657   109.87116    54.72431
   16    13 S   C    _CD1    16     1.51853   112.08115   175.15875
   17    16 S   O    _OE1    17     1.22794   123.25713     5.32679
   18    16 S   N    _N2_    18     1.38464   111.89211  -174.82154
   19    18 S   H    _HN2    19     1.01704   119.34877     0.57811
   20    18 S   CT1  _CA2    20     1.45776   122.77356   179.97202
   21    20 S   HC   _HA2    21     1.09776   108.50567    32.46774
   22    20 S   C    _C2_    22     1.53001   108.18625   -84.60065
   23    22 S   O    _O2_    23     1.22924   123.34232   -23.71414
   24    20 S   CT   _CB2    32     1.53230   111.88165   155.43469
   25    24 S   HC   HB21    33     1.09348   109.77104    54.28084
   26    24 S   HC   HB22    34     1.09466   109.84849   172.60325
   27    22 S   N    _N3_    24     1.38633   112.20291   158.91068
   28    27 S   H    _HN3    25     1.01663   120.20805    -2.79162
   29    24 S   S    _SG2    35     1.82698   110.50605   -68.66598
   30    27 S   CT   _CA3    26     1.45301   122.71191   178.09381
   31    30 S   HC   HA31    27     1.09564   107.89844   -52.95574
   32    30 S   HC   HA32    28     1.09548   107.56937    63.43792
   33    29 S   CT   _C10    36     1.93968   103.04962   152.50860
   34    30 S   CO3  _C3_    29     1.52924   114.18503  -175.00676
   35    34 S   O2Z  _O31    30     1.26347   116.08048    -3.85438
   36    34 S   O2Z  _O32    31     1.26431   114.42708   176.14512
   37    33 S   CT   _C9_    37     1.57642   104.25069    58.25756
   38    37 S   HC   _H13    38     1.09605   109.30988   -42.70273
   39    37 S   HC   _H14    39     1.08605   108.00481  -149.46437
   40    33 S   CT   _C11    59     1.63433   110.72940   -57.76564
   41    40 S   OM   _O39    60     1.33106   109.28032   -39.49398
   42    40 S   HC   _H4_    61     1.10079   105.05520    87.88266
   43    33 S   CO   _C22    66     1.58934   106.57886  -179.06330
   44    43 S   HC   _H7_    67     1.09583   110.57833    92.21931
   45    37 S   CT   _C8_    40     1.55644   120.96253    83.26384
   46    45 S   HC   _H3_    41     1.09194   113.57522     6.16602
   47    43 S   OH   _O38    68     1.43468   111.29658   -24.63924
   48    47 S   HO   _H24    69     0.97132   106.74364   152.63333
   49    45 S   CT   _C17    42     1.55844   111.43331   130.95582
   50    49 S   HC   _H6_    43     1.10175   107.61546    53.83409
   51    45 S   OS   _O34    73     1.45696   104.63627  -113.99968
   52    49 S   CM   _C18    44     1.49907   120.54836   174.26547
   53    51 S   CO4  _C7_    74     1.35889   118.74825   103.21345
   54    53 S   O    _O33    75     1.22169   126.29418     8.31522
   55    52 S   CO4  _C20    45     1.48724   107.09996   158.19280
   56    55 S   O    _O35    46     1.21726   127.20928   163.81368
   57    52 S   CM   _C19    70     1.33505   132.47489   -19.05307
   58    57 S   HC   _H20    71     1.08183   122.10251    -1.35999
   59    57 S   HC   _H21    72     1.08579   121.39312   178.46278
   60    53 S   CM   _C5_    76     1.49013   109.20586  -171.32339
   61    55 S   OS   _O36    47     1.36787   106.82360   -14.93224
   62    60 S   CM   _C6_    77     1.34129   117.46217   176.93229
   63    62 S   HC   _H11    78     1.08586   120.85496  -179.31872
   64    62 S   HC   _H12    79     1.08518   122.49849     0.16313
   65    60 S   CT   _C4_    80     1.49793   120.13385    -2.45304
   66    65 S   HC   _H8_    81     1.09502   110.58541   -58.50737
   67    65 S   HC   _H9_    82     1.09505   110.56487    62.02742
   68    65 S   HC   _H10    83     1.09521   111.91444  -178.12884
   69    49 S   CT   _C16    48     1.53857   116.01502   -69.84651
   70    69 S   HC   _H5_    49     1.09644   111.25677   -54.55888
   71    69 S   CM   _C15    50     1.50213   112.79582    71.73090
   72    71 S   HC   _H19    51     1.08873   115.60739    63.09782
   73    71 S   CM   _C14    52     1.35096   123.87820  -103.09729
   74    73 S   CT   _C13    53     1.50377   120.16936   157.75196
   75    74 S   HC   _H17    54     1.09727   111.01295    -6.60414
   76    74 S   HC   _H18    55     1.09765   107.90317   109.41149
   77    73 S   CT   _C21    62     1.50045   123.03442   -13.80420
   78    77 S   HC   _H22    63     1.09399   114.24884  -170.63248
   79    77 S   HC   _H23    64     1.09696   108.50652   -54.12124
   80    74 S   CT   _C12    56     1.54051   114.89036  -129.84736
   81    80 S   HC   _H15    57     1.10373   104.58606  -176.09716
   82    80 S   HC   _H16    58     1.09912   109.03807   -65.65829
   83    77 S   OS   _O37    65     1.41344   109.93432    62.95143
  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  13   5   4   3
  20   2   1   1  18   7   6  14   6   5  10   4  14   6   3   1
  15   8   7   9   9   3   8   3   4   1   1   7   5   6   2   1
   3   2   1   1   6   3  10   3  10   9   5   4   4   2   1   2
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    80    40    41    42    83    43    44    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    46    49    74    80    81    82    40    41    42    77    83    43    44    47    48    51  
   35    36  
   36  
    0  
   38    39    45    46    49    50    52    69    80    40    41    42    83    43    44    47    51    53  
   39    45    46    49    40    43    51  
   45    46    49    40    43    51  
   41    42    83    43    44    47    45    73    74    75    76    80    81    82  
   42    43    74    80    81    82  
   43    74    80    81    82  
   44    47    48    45    73    77    78    79    80    83  
   47    48    77    83  
   46    49    50    52    55    61    69    70    71    57    51    53    54    60  
   49    50    52    69    51    53  
   48    77    83  
   83  
   50    52    55    56    61    69    70    71    72    73    57    58    59    51    53  
   52    55    61    69    70    71    57    51  
   53    54    60    62    65    52    69  
   55    56    61    69    70    71    57    58    59  
   54    60    62    63    64    65    66    67    68  
   60    62    65  
   56    61    69    70    71    57    58    59  
   61    69    57  
   58    59    61    69  
   59  
    0  
   62    63    64    65    66    67    68  
   69    70    71    72    73  
   63    64    65    66    67    68  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    77  
   71    72    73  
   72    73    74    75    76    80    77    78    79    83  
   73    74    77  
   74    75    76    80    81    82    77    78    79    83  
   75    76    80    81    82    77    78    79    83  
   76    80    81    82    77  
   80    81    82    77  
   78    79    83    80  
   79    83  
   83  
   81    82  
   82  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.400000   1.5900   1.4000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    43   250.000  1.527
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   320.000  1.410
   49    50   340.000  1.090
   49    52   317.000  1.510
   49    69   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    61   214.000  1.327
   61    69   320.000  1.410
   69    70   340.000  1.090
   69    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    77   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   320.000  1.410
   83    43   320.000  1.380
   43    44   340.000  1.090
   43    47   380.000  1.407
   47    48   553.000  0.945
   57    58   340.000  1.080
   57    59   340.000  1.080
   51    53   214.000  1.327
   53    54   570.000  1.229
   53    60   320.000  1.462
   60    62   549.000  1.340
   60    65   317.000  1.510
   62    63   340.000  1.080
   62    64   340.000  1.080
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    58.35000  112.70000
   33    40    80    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    83    90.00000  108.56700
   33    43    44    45.00000  112.01100
   33    43    47    90.00000  110.19100
   37    45    46    37.50000  110.70000
   37    45    49    58.35000  112.70000
   37    45    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    39    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    52    70.00000  112.02700
   45    49    69    58.35000  112.70000
   45    51    53    83.00000  116.90000
   49    45    46    37.50000  110.70000
   49    52    55    65.00000  116.34900
   49    52    57    70.00000  124.00000
   49    69    61    50.00000  109.50000
   49    69    70    37.50000  110.70000
   49    69    71    70.00000  112.02700
   52    49    50    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    61    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   55    61    69    83.00000  116.90000
   61    55    56    83.00000  123.40000
   61    69    70    35.00000  109.50000
   61    69    71    85.00000  110.90400
   69    49    50    37.50000  110.70000
   69    49    52    70.00000  112.02700
   69    71    72    35.00000  117.00000
   69    71    73    70.00000  124.00000
   71    69    70    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    77    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    80    70.00000  112.02700
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    83    85.00000  110.90400
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    40    58.35000  112.70000
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    40    41    50.00000  109.50000
   80    40    42    37.50000  110.70000
   82    80    81    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    80    81    37.50000  110.70000
   40    80    82    37.50000  110.70000
   42    40    41    45.00000  125.66300
   77    73    74    65.00000  117.92700
   77    83    43    60.00000  109.50000
   79    77    78    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    79    35.00000  109.50000
   83    43    44    35.00000  109.50000
   83    43    47   110.00000  112.08000
   43    33    37    75.00000  109.43000
   43    33    40    75.00000  109.43000
   43    47    48    70.00000  107.92000
   47    43    44    60.00000  108.02500
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   51    45    46    35.00000  109.50000
   51    45    49    50.00000  109.50000
   51    53    54    83.00000  123.40000
   51    53    60    90.00000  111.29400
   53    60    62    65.00000  118.96000
   53    60    65    65.00000  116.34900
   60    53    54    80.00000  123.72100
   60    62    63    35.00000  120.00000
   60    62    64    35.00000  120.00000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   64    62    63    35.00000  117.00000
   65    60    62    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    40    80   0.44750  1.0 1.0
   29    33    40    80  -0.17800 -1.0 2.0
   29    33    40    80   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    83   0.56750  1.0 1.0
   29    33    43    83  -0.07550 -1.0 2.0
   29    33    43    83   0.20000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    47   0.56750  1.0 1.0
   29    33    43    47  -0.07550 -1.0 2.0
   29    33    43    47   0.20000  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    49   0.56750  1.0 1.0
   33    37    45    49  -0.07550 -1.0 2.0
   33    37    45    49   0.20000  1.0 3.0
   33    37    45    51   0.62750  1.0 1.0
   33    37    45    51  -0.30950 -1.0 2.0
   33    37    45    51   0.27300  1.0 3.0
   33    43    47    48  -0.11600  1.0 1.0
   33    43    47    48  -0.09450 -1.0 2.0
   33    43    47    48   0.21250  1.0 3.0
   37    33    40    80   0.56750  1.0 1.0
   37    33    40    80  -0.07550 -1.0 2.0
   37    33    40    80   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    83   0.62750  1.0 1.0
   37    33    43    83  -0.30950 -1.0 2.0
   37    33    43    83   0.27300  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    47   0.86500  1.0 1.0
   37    33    43    47  -0.17500 -1.0 2.0
   37    33    43    47   0.20800  1.0 3.0
   37    45    49    50   0.15000  1.0 3.0
   37    45    49    52   0.34400  1.0 1.0
   37    45    49    52   0.09450 -1.0 2.0
   37    45    49    52   0.11100  1.0 3.0
   37    45    49    69   0.56750  1.0 1.0
   37    45    49    69  -0.07550 -1.0 2.0
   37    45    49    69   0.20000  1.0 3.0
   37    45    51    53  -0.25900  1.0 1.0
   37    45    51    53  -0.47000 -1.0 2.0
   37    45    51    53   0.11750  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    49   0.15000  1.0 3.0
   38    37    45    51   0.23400  1.0 3.0
   39    37    45    46   0.15000  1.0 3.0
   39    37    45    49   0.15000  1.0 3.0
   39    37    45    51   0.23400  1.0 3.0
   45    49    52    55   0.09700  1.0 1.0
   45    49    52    55   0.15600 -1.0 2.0
   45    49    52    55  -0.50800  1.0 3.0
   45    49    52    57   0.09850  1.0 1.0
   45    49    52    57   0.15250 -1.0 2.0
   45    49    52    57  -0.50650  1.0 3.0
   45    49    69    61   0.62750  1.0 1.0
   45    49    69    61  -0.30950 -1.0 2.0
   45    49    69    61   0.27300  1.0 3.0
   45    49    69    70   0.15000  1.0 3.0
   45    49    69    71   0.34400  1.0 1.0
   45    49    69    71   0.09450 -1.0 2.0
   45    49    69    71   0.11100  1.0 3.0
   45    51    53    54   3.00000 -1.0 2.0
   45    51    53    60   2.00000 -1.0 2.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   46    45    49    69   0.15000  1.0 3.0
   46    45    51    53   0.08050  1.0 3.0
   49    45    51    53  -0.25900  1.0 1.0
   49    45    51    53  -0.47000 -1.0 2.0
   49    45    51    53   0.11750  1.0 3.0
   49    52    55    56  -0.64400  1.0 1.0
   49    52    55    56   0.26850 -1.0 2.0
   49    52   -55    61  -0.15000  1.0 1.0
   49    52   -55    61   0.89550 -1.0 2.0
   49    52   -55    61  -0.06900  1.0 3.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    59   7.00000 -1.0 2.0
   49    69    71    72   0.00000  1.0 1.0
   49    69    71    73   0.09850  1.0 1.0
   49    69    71    73   0.15250 -1.0 2.0
   49    69    71    73  -0.50650  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   50    49    52    57   0.00000  1.0 1.0
   50    49    69    61   0.23400  1.0 3.0
   50    49    69    70   0.15000  1.0 3.0
   50    49    69    71   0.15000  1.0 3.0
   52    49   -69    61   0.61850  1.0 1.0
   52    49   -69    61  -0.22750 -1.0 2.0
   52    49   -69    61   0.15300  1.0 3.0
   52    49    69    70   0.15000  1.0 3.0
   52    49    69    71   0.31000  1.0 1.0
   52    49    69    71   0.14700 -1.0 2.0
   52    49    69    71   0.07550  1.0 3.0
   52    55   -61    69   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   55    61   -69    49  -0.25900  1.0 1.0
   55    61   -69    49  -0.47000 -1.0 2.0
   55    61   -69    49   0.11750  1.0 3.0
   55    61    69    70   0.08050  1.0 3.0
   55    61    69    71  -0.82050  1.0 1.0
   55    61    69    71   0.00600 -1.0 2.0
   55    61    69    71   0.04400  1.0 3.0
   56    55    61    69   3.00000 -1.0 2.0
   61    69    71    72   0.00000  1.0 1.0
   61    69    71    73   0.39000  1.0 1.0
   61    69    71    73  -0.05800 -1.0 2.0
   61    69    71    73  -0.55150  1.0 3.0
   69    49   -52    55   0.09700  1.0 1.0
   69    49   -52    55   0.15600 -1.0 2.0
   69    49   -52    55  -0.50800  1.0 3.0
   69    49    52    57   0.09850  1.0 1.0
   69    49    52    57   0.15250 -1.0 2.0
   69    49    52    57  -0.50650  1.0 3.0
   69    71    73    74   7.00000 -1.0 2.0
   69    71    73    77   7.00000 -1.0 2.0
   70    69    71    72   0.33100  1.0 3.0
   70    69    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    76   0.00000  1.0 1.0
   71    73    74    80   0.09850  1.0 1.0
   71    73    74    80   0.15250 -1.0 2.0
   71    73    74    80  -0.50650  1.0 3.0
   71    73    77    78   0.00000  1.0 1.0
   71    73    77    79   0.00000  1.0 1.0
   71    73    77    83   0.39000  1.0 1.0
   71    73    77    83  -0.05800 -1.0 2.0
   71    73    77    83  -0.55150  1.0 3.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    77   7.00000 -1.0 2.0
   73    74    80    81   0.15000  1.0 3.0
   73    74    80    82   0.15000  1.0 3.0
   73    74    80    40   0.34400  1.0 1.0
   73    74    80    40   0.09450 -1.0 2.0
   73    74    80    40   0.11100  1.0 3.0
   73    77    83    43  -0.77900  1.0 1.0
   73    77    83    43  -0.36900 -1.0 2.0
   73    77    83    43   0.40400  1.0 3.0
   74    73    77    78   0.34800  1.0 3.0
   74    73    77    79   0.34800  1.0 3.0
   74    73    77    83   0.09700  1.0 1.0
   74    73    77    83   0.15600 -1.0 2.0
   74    73    77    83  -0.50800  1.0 3.0
   74    80    40    33   0.56750  1.0 1.0
   74    80    40    33  -0.07550 -1.0 2.0
   74    80    40    33   0.20000  1.0 3.0
   74    80    40    41   0.62750  1.0 1.0
   74    80    40    41  -0.30950 -1.0 2.0
   74    80    40    41   0.27300  1.0 3.0
   74    80    40    42   0.15000  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    40   0.15000  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    40   0.15000  1.0 3.0
   81    80    40    33   0.15000  1.0 3.0
   81    80    40    41   0.23400  1.0 3.0
   81    80    40    42   0.15000  1.0 3.0
   82    80    40    33   0.15000  1.0 3.0
   82    80    40    41   0.23400  1.0 3.0
   82    80    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    45   0.56750  1.0 1.0
   40    33    37    45  -0.07550 -1.0 2.0
   40    33    37    45   0.20000  1.0 3.0
   40    33    43    83   0.62750  1.0 1.0
   40    33    43    83  -0.30950 -1.0 2.0
   40    33    43    83   0.27300  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    47   0.86500  1.0 1.0
   40    33    43    47  -0.17500 -1.0 2.0
   40    33    43    47   0.20800  1.0 3.0
   77    73    74    75   0.34800  1.0 3.0
   77    73    74    76   0.34800  1.0 3.0
   77    73    74    80   0.46850  1.0 1.0
   77    73    74    80   0.08550 -1.0 2.0
   77    73    74    80   0.09800  1.0 3.0
   77    83    43    33   0.06250  1.0 1.0
   77    83    43    33  -0.01100 -1.0 2.0
   77    83    43    33   0.28050  1.0 3.0
   77    83    43    44   0.37050  1.0 3.0
   77    83    43    47  -0.70900  1.0 1.0
   77    83    43    47  -1.18000 -1.0 2.0
   77    83    43    47   0.91650  1.0 3.0
   78    77    83    43   0.37050  1.0 3.0
   79    77    83    43   0.37050  1.0 3.0
   83    43    47    48  -0.50000  1.0 1.0
   83    43    47    48  -0.73950 -1.0 2.0
   83    43    47    48   0.17150  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    45   3.97050  1.0 1.0
   43    33    40    80   3.97050  1.0 1.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
   44    43    47    48   0.19450  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    61  -0.56150  1.0 1.0
   57    52    55    61   2.19150 -1.0 2.0
   51    45    49    50   0.23400  1.0 3.0
   51    45    49    52   0.61850  1.0 1.0
   51    45    49    52  -0.22750 -1.0 2.0
   51    45    49    52   0.15300  1.0 3.0
   51    45    49    69   0.62750  1.0 1.0
   51    45    49    69  -0.30950 -1.0 2.0
   51    45    49    69   0.27300  1.0 3.0
   51    53    60    62  -0.56150  1.0 1.0
   51    53    60    62   2.19150 -1.0 2.0
   51    53    60    65  -0.15000  1.0 1.0
   51    53    60    65   0.89550 -1.0 2.0
   51    53    60    65  -0.06900  1.0 3.0
   53    60    62    63   7.00000 -1.0 2.0
   53    60    62    64   7.00000 -1.0 2.0
   53    60    65    66   0.15000  1.0 3.0
   53    60    65    67   0.15000  1.0 3.0
   53    60    65    68   0.15000  1.0 3.0
   54    53    60    62   1.00000 -1.0 2.0
   54    53    60    65  -0.64400  1.0 1.0
   54    53    60    65   0.26850 -1.0 2.0
   62    60    65    66   0.00000  1.0 1.0
   62    60    65    67   0.00000  1.0 1.0
   62    60    65    68   0.00000  1.0 1.0
   65    60    62    63   7.00000 -1.0 2.0
   65    60    62    64   7.00000 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   49    55    52    57   1.10000 -1.0 2.0
   52    61    55    56  10.50000 -1.0 2.0
   69    72    71    73   1.10000 -1.0 2.0
   74    77    73    71   1.10000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   51    60    53    54  10.50000 -1.0 2.0
   53    65    60    62  15.00000 -1.0 2.0
   63    64    62    60  15.00000 -1.0 2.0
END
