* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    157    242     460
    1     0 S   NP   _N1_     1    28.78150    96.27796   -20.46094
    2     1 S   H    _HN1     2     1.02949    75.64271    15.38457
    3     1 S   H    _H1_     3     1.02832    42.82362   151.53423
    4     1 S   H    _H2_     4     1.02791    91.34357   -93.24308
    5     1 S   CT   _CA1     5     1.50112   150.90000   121.72408
    6     5 S   HC   _HA1     6     1.09564   105.19250    80.41781
    7     5 S   CO3  _C1_     7     1.53728   112.56332   -39.87500
    8     7 S   O2Z  _O11     8     1.26385   115.01704   -39.34373
    9     7 S   O2Z  _O12     9     1.26231   115.05091   140.00512
   10     5 S   CT   _CB1    10     1.53085   107.43896  -161.43473
   11    10 S   HC   HB11    11     1.09832   109.40939   -48.21395
   12    10 S   HC   HB12    12     1.09812   110.43542    68.41665
   13    10 S   CT   _CG1    13     1.52990   112.62929  -169.12326
   14    13 S   HC   HG11    14     1.09555   110.75895   -65.82194
   15    13 S   HC   HG12    15     1.09673   109.72933    53.37632
   16    13 S   C    _CD1    16     1.51802   112.17714   173.78322
   17    16 S   O    _OE1    17     1.22718   123.26224     8.31907
   18    16 S   N    _N2_    18     1.38583   111.61460  -171.85098
   19    18 S   H    _HN2    19     1.01575   118.96692     1.15589
   20    18 S   CT1  _CA2    20     1.46340   123.56081   177.49438
   21    20 S   HC   _HA2    21     1.09737   109.41805    -0.57061
   22    20 S   C    _C2_    22     1.53517   108.50923  -115.96159
   23    22 S   O    _O2_    23     1.23034   122.39992  -149.02685
   24    20 S   CT   _CB2    32     1.53287   111.13677   121.59130
   25    24 S   HC   HB21    33     1.09494   109.36743    54.84429
   26    24 S   HC   HB22    34     1.09482   110.72663   173.55266
   27    22 S   N    _N3_    24     1.38374   113.59083    38.54488
   28    27 S   H    _HN3    25     1.01592   119.49780    -3.46125
   29    24 S   S    _SG2    35     1.82889   110.71507   -67.47588
   30    27 S   CT   _CA3    26     1.45268   123.23654   177.09350
   31    30 S   HC   HA31    27     1.09548   107.52173   -64.43507
   32    30 S   HC   HA32    28     1.09556   107.97979    52.00874
   33    29 S   CT   _C15    36     1.87213   100.86273   139.37194
   34    33 S   HC   _H5_    37     1.09235   102.88902   -36.39917
   35    30 S   CO3  _C3_    29     1.52956   114.06009   173.99995
   36    35 S   O2Z  _O31    30     1.26379   116.06870    -0.53814
   37    35 S   O2Z  _O32    31     1.26426   114.41643   179.51827
   38    33 S   CT   _C16    38     1.56579   108.65586  -148.11255
   39    38 S   HC   _H6_    39     1.08601   110.04742  -164.47882
   40    33 S   CT   _C14    62     1.59358   115.37270    81.52221
   41    40 S   OM   _O37    63     1.32449   109.48149   -71.28029
   42    38 S   CT   _C17    40     1.54647   114.20020    73.44929
   43    42 S   HC   _H7_    41     1.09742   111.72380    -1.60925
   44    40 S   CT   _C21    64     1.55056   111.47051    47.26247
   45    44 S   HC   _H19    65     1.09669   113.29714   -62.91994
   46    44 S   HC   _H20    66     1.09901   111.77215   177.37579
   47    44 S   HC   _H21    67     1.09561   110.92015    58.40785
   48    42 S   CM   _C18    42     1.49653   100.42929  -117.00350
   49    42 S   CT   _C8_    49     1.56571   113.69270   120.94333
   50    49 S   HC   _H3_    50     1.09841   108.92573    52.14199
   51    48 S   CO4  _C20    43     1.47232   110.85085    -9.68633
   52    51 S   O    _O35    44     1.21809   126.89417  -173.22575
   53    48 S   CM   _C19    46     1.33696   128.45474   165.47618
   54    53 S   HC   _H17    47     1.08434   121.00480     2.05042
   55    53 S   HC   _H18    48     1.08508   121.93918  -177.40098
   56    49 S   CT   _C9_    51     1.55570   114.91904   -72.34410
   57    56 S   HC   _H12    52     1.09839   108.57577   -57.54416
   58    56 S   HC   _H13    53     1.09728   109.75109  -171.45121
   59    49 S   OS   _O34    71     1.45338   107.46504   170.56506
   60    38 S   OS   _O36    45     1.44048   112.19881   -50.33599
   61    56 S   CM   _C10    54     1.48053   114.23314    65.86828
   62    59 S   CO4  _C7_    72     1.36054   117.62588  -149.35540
   63    62 S   O    _O33    73     1.21896   126.79389    -0.21580
   64    61 S   CM   _C11    55     1.33018   128.34494  -102.14493
   65    64 S   HC   _H14    56     1.08007   124.77428    -7.13968
   66    62 S   CM   _C6_    74     1.48114   107.13084   179.15582
   67    66 S   HC   _H11    75     1.08713   114.97099   -21.02798
   68    64 S   CT   _C12    57     1.47508   110.61887   161.32147
   69    68 S   HC   _H4_    58     1.09463   111.15998   135.61914
   70    66 S   CM   _C5_    76     1.34524   125.72584   159.90528
   71    68 S   CT   _C13    59     1.55711   116.32069   -95.14634
   72    71 S   HC   _H15    60     1.10017   108.89065    91.51242
   73    71 S   HC   _H16    61     1.10349   105.21698  -159.64943
   74    68 S   OS   _O38    68     1.44294   102.09672    20.12593
   75    70 S   CT   _C4_    77     1.50724   119.67831   177.73203
   76    75 S   HC   _H8_    78     1.09497   110.30979   118.43190
   77    75 S   HC   _H9_    79     1.09522   112.47763    -1.72272
   78    75 S   HC   _H10    80     1.09502   110.16112  -121.73649
   79    70 S   CT   _C23    81     1.50293   126.21108    -3.08229
   80    79 S   HC   _H22    82     1.09455   110.13937   106.07191
   81    79 S   HC   _H23    83     1.09162   113.55106   -15.89394
   82    79 S   HC   _H24    84     1.09580   110.10930  -134.71503
   83    61 S   CO4  _C22    69     1.46805   125.29351    72.60404
   84    83 S   O    _O39    70     1.21802   125.82612     7.53744
  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  10   5   4   3
  19   8   2   1   1  16   7  14   8  16   8   7   3   2   1  10
  14   6   5   2   3   1   1  11   5   4   6   1   8   6   3   9
   5  10   3   7   5   8   4   2   1   2   7   3   2   1   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    60    71    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    51    60    49    68    71    72    73    40    41    44    45    46    47  
   38    39    42    60    71    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    51    52    60    53    49    50    56    71    40    41    44    59  
   42    43    48    51    60    49    40  
   41    44    45    46    47    74    42    60    64    68    69    71    72    73  
   44    45    46    47    68    71    72    73  
   43    48    51    52    60    53    54    55    49    50    56    57    58    61    59    62  
   48    51    60    53    49    50    56    59  
   45    46    47    68    71    72    73  
   46    47    71  
   47    71  
   71  
   51    52    60    53    54    55    49    50    56    59  
   50    56    57    58    61    64    83    59    62    63    66    51    53    60  
   56    57    58    61    59    62  
   52    60    53    54    55  
   60    53  
   54    55    60  
   55  
    0  
   57    58    61    64    65    68    74    83    84    59    62  
   58    61    64    83    59  
   61    64    83    59  
   62    63    66    67    70    61  
    0  
   64    65    68    69    71    74    83    84  
   63    66    67    70    75    79  
   66    67    70  
   65    68    69    71    72    73    74    83    84  
   68    69    71    74    83  
   67    70    75    76    77    78    79    80    81    82  
   70    75    79  
   69    71    72    73    74    83    84  
   71    72    73    74    83  
   75    76    77    78    79    80    81    82  
   72    73    74    83  
   73    74  
   74  
   83    84  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    60   320.000  1.410
   42    43   340.000  1.090
   42    48   317.000  1.510
   42    49   268.000  1.529
   48    51   320.000  1.462
   48    53   549.000  1.340
   51    52   570.000  1.229
   51    60   214.000  1.327
   53    54   340.000  1.080
   53    55   340.000  1.080
   49    50   340.000  1.090
   49    56   268.000  1.529
   49    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   317.000  1.510
   61    64   549.000  1.340
   61    83   320.000  1.462
   64    65   340.000  1.080
   64    68   317.000  1.510
   68    69   340.000  1.090
   68    71   268.000  1.529
   68    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    40   268.000  1.529
   40    41   570.000  1.307
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   74    83   214.000  1.327
   83    84   570.000  1.229
   59    62   214.000  1.327
   62    63   570.000  1.229
   62    66   320.000  1.462
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    75   317.000  1.510
   70    79   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    60    50.00000  109.50000
   33    40    71    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    48    70.00000  112.02700
   38    42    49    58.35000  112.70000
   38    60    51    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    48    51    65.00000  116.34900
   42    48    53    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    56    58.35000  112.70000
   42    49    59    50.00000  109.50000
   48    42    43    35.00000  109.50000
   48    51    52    80.00000  123.72100
   48    51    60    90.00000  111.29400
   48    53    54    35.00000  120.00000
   48    53    55    35.00000  120.00000
   60    38    39    35.00000  109.50000
   60    38    42    50.00000  109.50000
   60    51    52    83.00000  123.40000
   53    48    51    65.00000  118.96000
   55    53    54    35.00000  117.00000
   49    42    43    37.50000  110.70000
   49    42    48    70.00000  112.02700
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    61    70.00000  112.02700
   49    59    62    83.00000  116.90000
   56    49    50    37.50000  110.70000
   56    61    64    70.00000  124.00000
   56    61    83    65.00000  116.34900
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    64    65    35.00000  120.00000
   61    64    68    70.00000  124.00000
   61    83    74    90.00000  111.29400
   61    83    84    80.00000  123.72100
   64    68    69    35.00000  109.50000
   64    68    71    70.00000  112.02700
   64    68    74    85.00000  110.90400
   68    64    65    35.00000  117.00000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    40    58.35000  112.70000
   68    74    83    83.00000  116.90000
   71    68    69    37.50000  110.70000
   71    40    41    50.00000  109.50000
   71    40    44    58.35000  112.70000
   73    71    72    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    71    72    37.50000  110.70000
   40    71    73    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   74    68    69    35.00000  109.50000
   74    68    71    50.00000  109.50000
   74    83    84    83.00000  123.40000
   83    61    64    65.00000  118.96000
   59    49    50    35.00000  109.50000
   59    49    56    50.00000  109.50000
   59    62    63    83.00000  123.40000
   59    62    66    90.00000  111.29400
   62    66    67    40.00000  117.72500
   62    66    70    65.00000  118.96000
   66    62    63    80.00000  123.72100
   66    70    75    70.00000  124.00000
   66    70    79    70.00000  124.00000
   70    66    67    35.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   70    79    80    35.00000  109.50000
   70    79    81    35.00000  109.50000
   70    79    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    70    75    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    60   0.56750  1.0 1.0
   29    33    38    60  -0.07550 -1.0 2.0
   29    33    38    60   0.20000  1.0 3.0
   29    33    40    71   0.44750  1.0 1.0
   29    33    40    71  -0.17800 -1.0 2.0
   29    33    40    71   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    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    48   0.34400  1.0 1.0
   33    38    42    48   0.09450 -1.0 2.0
   33    38    42    48   0.11100  1.0 3.0
   33    38    42    49   0.56750  1.0 1.0
   33    38    42    49  -0.07550 -1.0 2.0
   33    38    42    49   0.20000  1.0 3.0
   33    38    60    51  -0.25900  1.0 1.0
   33    38    60    51  -0.47000 -1.0 2.0
   33    38    60    51   0.11750  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    60   0.23400  1.0 3.0
   34    33    40    71   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    71   0.56750  1.0 1.0
   38    33    40    71  -0.07550 -1.0 2.0
   38    33    40    71   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42   -48    51   0.09700  1.0 1.0
   38    42   -48    51   0.15600 -1.0 2.0
   38    42   -48    51  -0.50800  1.0 3.0
   38    42    48    53   0.09850  1.0 1.0
   38    42    48    53   0.15250 -1.0 2.0
   38    42    48    53  -0.50650  1.0 3.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    56   0.56750  1.0 1.0
   38    42    49    56  -0.07550 -1.0 2.0
   38    42    49    56   0.20000  1.0 3.0
   38    42    49    59   0.62750  1.0 1.0
   38    42    49    59  -0.30950 -1.0 2.0
   38    42    49    59   0.27300  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    60    51   0.08050  1.0 3.0
   42    38   -60    51  -0.25900  1.0 1.0
   42    38   -60    51  -0.47000 -1.0 2.0
   42    38   -60    51   0.11750  1.0 3.0
   42    48    51    52  -0.64400  1.0 1.0
   42    48    51    52   0.26850 -1.0 2.0
   42    48   -51    60  -0.15000  1.0 1.0
   42    48   -51    60   0.89550 -1.0 2.0
   42    48   -51    60  -0.06900  1.0 3.0
   42    48    53    54   7.00000 -1.0 2.0
   42    48    53    55   7.00000 -1.0 2.0
   42    49    56    57   0.15000  1.0 3.0
   42    49    56    58   0.15000  1.0 3.0
   42    49    56    61   0.34400  1.0 1.0
   42    49    56    61   0.09450 -1.0 2.0
   42    49    56    61   0.11100  1.0 3.0
   42    49    59    62  -0.25900  1.0 1.0
   42    49    59    62  -0.47000 -1.0 2.0
   42    49    59    62   0.11750  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   43    42    48    53   0.00000  1.0 1.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    56   0.15000  1.0 3.0
   43    42    49    59   0.23400  1.0 3.0
   48    42    49    50   0.15000  1.0 3.0
   48    42    49    56   0.34400  1.0 1.0
   48    42    49    56   0.09450 -1.0 2.0
   48    42    49    56   0.11100  1.0 3.0
   48    42    49    59   0.61850  1.0 1.0
   48    42    49    59  -0.22750 -1.0 2.0
   48    42    49    59   0.15300  1.0 3.0
   48    51   -60    38   2.00000 -1.0 2.0
   51    48    53    54   7.00000 -1.0 2.0
   51    48    53    55   7.00000 -1.0 2.0
   52    51    60    38   3.00000 -1.0 2.0
   60    38    42    43   0.23400  1.0 3.0
   60    38   -42    48   0.61850  1.0 1.0
   60    38   -42    48  -0.22750 -1.0 2.0
   60    38   -42    48   0.15300  1.0 3.0
   60    38    42    49   0.62750  1.0 1.0
   60    38    42    49  -0.30950 -1.0 2.0
   60    38    42    49   0.27300  1.0 3.0
   53    48    51    52   1.00000 -1.0 2.0
   53    48    51    60  -0.56150  1.0 1.0
   53    48    51    60   2.19150 -1.0 2.0
   49    42    48    51   0.09700  1.0 1.0
   49    42    48    51   0.15600 -1.0 2.0
   49    42    48    51  -0.50800  1.0 3.0
   49    42    48    53   0.09850  1.0 1.0
   49    42    48    53   0.15250 -1.0 2.0
   49    42    48    53  -0.50650  1.0 3.0
   49    56    61    64   0.09850  1.0 1.0
   49    56    61    64   0.15250 -1.0 2.0
   49    56    61    64  -0.50650  1.0 3.0
   49    56    61    83   0.09700  1.0 1.0
   49    56    61    83   0.15600 -1.0 2.0
   49    56    61    83  -0.50800  1.0 3.0
   49    59    62    63   3.00000 -1.0 2.0
   49    59    62    66   2.00000 -1.0 2.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    61   0.15000  1.0 3.0
   50    49    59    62   0.08050  1.0 3.0
   56    49    59    62  -0.25900  1.0 1.0
   56    49    59    62  -0.47000 -1.0 2.0
   56    49    59    62   0.11750  1.0 3.0
   56    61    64    65   7.00000 -1.0 2.0
   56    61    64    68   7.00000 -1.0 2.0
   56    61    83    74  -0.15000  1.0 1.0
   56    61    83    74   0.89550 -1.0 2.0
   56    61    83    74  -0.06900  1.0 3.0
   56    61    83    84  -0.64400  1.0 1.0
   56    61    83    84   0.26850 -1.0 2.0
   57    56    61    64   0.00000  1.0 1.0
   57    56    61    83   0.15000  1.0 3.0
   58    56    61    64   0.00000  1.0 1.0
   58    56    61    83   0.15000  1.0 3.0
   61    64    68    69   0.00000  1.0 1.0
   61    64    68    71   0.09850  1.0 1.0
   61    64    68    71   0.15250 -1.0 2.0
   61    64    68    71  -0.50650  1.0 3.0
   61    64   -68    74   0.39000  1.0 1.0
   61    64   -68    74  -0.05800 -1.0 2.0
   61    64   -68    74  -0.55150  1.0 3.0
   64    61   -83    74  -0.56150  1.0 1.0
   64    61   -83    74   2.19150 -1.0 2.0
   64    61    83    84   1.00000 -1.0 2.0
   64    68    71    72   0.15000  1.0 3.0
   64    68    71    73   0.15000  1.0 3.0
   64    68    71    40   0.34400  1.0 1.0
   64    68    71    40   0.09450 -1.0 2.0
   64    68    71    40   0.11100  1.0 3.0
   64    68   -74    83  -0.82050  1.0 1.0
   64    68   -74    83   0.00600 -1.0 2.0
   64    68   -74    83   0.04400  1.0 3.0
   65    64    68    69   0.33100  1.0 3.0
   65    64    68    71   0.00000  1.0 1.0
   65    64    68    74   0.00000  1.0 1.0
   68    71    40    33   0.56750  1.0 1.0
   68    71    40    33  -0.07550 -1.0 2.0
   68    71    40    33   0.20000  1.0 3.0
   68    71    40    41   0.62750  1.0 1.0
   68    71    40    41  -0.30950 -1.0 2.0
   68    71    40    41   0.27300  1.0 3.0
   68    71    40    44   0.56750  1.0 1.0
   68    71    40    44  -0.07550 -1.0 2.0
   68    71    40    44   0.20000  1.0 3.0
   68    74   -83    61   2.00000 -1.0 2.0
   68    74    83    84   3.00000 -1.0 2.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    40   0.15000  1.0 3.0
   69    68    74    83   0.08050  1.0 3.0
   71    68    74    83  -0.25900  1.0 1.0
   71    68    74    83  -0.47000 -1.0 2.0
   71    68    74    83   0.11750  1.0 3.0
   71    40    44    45   0.15000  1.0 3.0
   71    40    44    46   0.15000  1.0 3.0
   71    40    44    47   0.15000  1.0 3.0
   72    71    40    33   0.15000  1.0 3.0
   72    71    40    41   0.23400  1.0 3.0
   72    71    40    44   0.15000  1.0 3.0
   73    71    40    33   0.15000  1.0 3.0
   73    71    40    41   0.23400  1.0 3.0
   73    71    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    60   0.62750  1.0 1.0
   40    33    38    60  -0.30950 -1.0 2.0
   40    33    38    60   0.27300  1.0 3.0
   41    40    44    45   0.23400  1.0 3.0
   41    40    44    46   0.23400  1.0 3.0
   41    40    44    47   0.23400  1.0 3.0
   74    68    71    72   0.23400  1.0 3.0
   74    68    71    73   0.23400  1.0 3.0
   74    68    71    40   0.62750  1.0 1.0
   74    68    71    40  -0.30950 -1.0 2.0
   74    68    71    40   0.27300  1.0 3.0
   83    61    64    65   7.00000 -1.0 2.0
   83    61   -64    68   7.00000 -1.0 2.0
   59    49    56    57   0.23400  1.0 3.0
   59    49    56    58   0.23400  1.0 3.0
   59    49    56    61   0.61850  1.0 1.0
   59    49    56    61  -0.22750 -1.0 2.0
   59    49    56    61   0.15300  1.0 3.0
   59    62    66    67   1.63100 -1.0 2.0
   59    62    66    70  -0.56150  1.0 1.0
   59    62    66    70   2.19150 -1.0 2.0
   62    66    70    75   7.00000 -1.0 2.0
   62    66    70    79   7.00000 -1.0 2.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    70   1.00000 -1.0 2.0
   66    70    75    76   0.00000  1.0 1.0
   66    70    75    77   0.00000  1.0 1.0
   66    70    75    78   0.00000  1.0 1.0
   66    70    79    80   0.00000  1.0 1.0
   66    70    79    81   0.00000  1.0 1.0
   66    70    79    82   0.00000  1.0 1.0
   67    66    70    75   7.00000 -1.0 2.0
   67    66    70    79   7.00000 -1.0 2.0
   75    70    79    80   0.34800  1.0 3.0
   75    70    79    81   0.34800  1.0 3.0
   75    70    79    82   0.34800  1.0 3.0
   79    70    75    76   0.34800  1.0 3.0
   79    70    75    77   0.34800  1.0 3.0
   79    70    75    78   0.34800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    51    48    53   1.10000 -1.0 2.0
   48    60    51    52  10.50000 -1.0 2.0
   54    55    53    48   1.10000 -1.0 2.0
   56    83    61    64   1.10000 -1.0 2.0
   68    65    64    61   1.10000 -1.0 2.0
   61    74    83    84  10.50000 -1.0 2.0
   59    66    62    63  10.50000 -1.0 2.0
   62    67    66    70  15.00000 -1.0 2.0
   75    79    70    66  15.00000 -1.0 2.0
END
