* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    157    242     460
    1     0 S   NP   _N1_     1    28.77027    93.37332   -21.29663
    2     1 S   H    _HN1     2     1.02776    90.88907   -89.67119
    3     1 S   H    _H1_     3     1.02960    96.00377    18.84474
    4     1 S   H    _H2_     4     1.02834    25.22837   136.83687
    5     1 S   CT   _CA1     5     1.50127   135.72377   146.42833
    6     5 S   HC   _HA1     6     1.09570   105.25246    54.95689
    7     5 S   CO3  _C1_     7     1.53817   112.26142   -65.31508
    8     7 S   O2Z  _O11     8     1.26370   115.03675   -45.37100
    9     7 S   O2Z  _O12     9     1.26225   114.93193   133.71075
   10     5 S   CT   _CB1    10     1.53082   107.40851   172.90931
   11    10 S   HC   HB11    11     1.09825   109.47787   -49.79578
   12    10 S   HC   HB12    12     1.09823   110.33912    66.76884
   13    10 S   CT   _CG1    13     1.53024   112.68567  -170.85950
   14    13 S   HC   HG11    14     1.09604   110.41653   -61.16858
   15    13 S   HC   HG12    15     1.09634   110.06987    58.09030
   16    13 S   C    _CD1    16     1.51831   112.17071   178.51352
   17    16 S   O    _OE1    17     1.22733   123.22780    -4.41277
   18    16 S   N    _N2_    18     1.38634   111.70237   175.50455
   19    18 S   H    _HN2    19     1.01588   119.05606     2.35618
   20    18 S   CT1  _CA2    20     1.46301   123.32870  -176.90680
   21    20 S   HC   _HA2    21     1.09731   109.37265    -9.36240
   22    20 S   C    _C2_    22     1.53399   108.67766  -125.20240
   23    22 S   O    _O2_    23     1.23025   122.13809  -147.06776
   24    20 S   CT   _CB2    32     1.53589   111.23539   112.45395
   25    24 S   HC   HB21    33     1.09406   109.15691    57.25893
   26    24 S   HC   HB22    34     1.09496   110.51742   176.20615
   27    22 S   N    _N3_    24     1.38474   113.44100    40.35523
   28    27 S   H    _HN3    25     1.01528   118.88582    -0.94481
   29    24 S   S    _SG2    35     1.82713   111.28872   -63.78169
   30    27 S   CT   _CA3    26     1.45464   123.61574   175.16102
   31    30 S   HC   HA31    27     1.09510   109.43972    20.15487
   32    30 S   HC   HA32    28     1.09501   107.06985   137.18569
   33    29 S   CT   _C6_    36     1.84155   100.91267   177.42542
   34    33 S   HC   _H4_    37     1.09682   107.07954    51.28539
   35    30 S   CO3  _C3_    29     1.52914   112.98304  -103.46654
   36    35 S   O2Z  _O31    30     1.26417   115.35454   -45.53916
   37    35 S   O2Z  _O32    31     1.26348   115.01343   135.36152
   38    33 S   CT   _C7_    38     1.53004   110.47787   -65.97263
   39    38 S   HC   _H11    39     1.09415   112.16890   -51.66274
   40    38 S   HC   _H12    40     1.09565   110.63407  -172.32325
   41    38 S   HC   _H13    41     1.09413   111.58262    69.53609
   42    33 S   CT   _C5_    42     1.55094   111.94827   169.04938
   43    42 S   HC   _H3_    43     1.09931   108.61047   174.32045
   44    42 S   CO4  _C8_    44     1.52497   113.35370    55.62675
   45    44 S   O    _O33    45     1.22407   124.63337   -96.56810
   46    42 S   CT   _C4_    81     1.53318   112.45424   -69.37975
   47    46 S   HC   _H8_    82     1.09472   112.33595    64.64594
   48    46 S   HC   _H9_    83     1.09494   110.79551   -56.50346
   49    46 S   HC   _H10    84     1.09601   110.41397  -175.87033
   50    44 S   OS   _O34    46     1.36463   109.75786    83.11930
   51    50 S   CT   _C9_    47     1.44336   118.17462  -176.84421
   52    51 S   HC   _H5_    48     1.09847   107.03277    33.96386
   53    51 S   CT   _C10    49     1.55545   110.66644   -79.35286
   54    53 S   HC   _H14    50     1.09770   107.68957    59.67184
   55    53 S   HC   _H15    51     1.09865   106.49599   173.68723
   56    51 S   CT   _C18    63     1.56773   110.83109   150.65933
   57    56 S   HC   _H7_    64     1.09740   109.18687   145.26505
   58    53 S   CT   _C11    52     1.53859   120.01558   -63.32031
   59    56 S   CM   _C19    65     1.49998   111.92959   -97.09409
   60    58 S   CO4  _C12    53     1.50868   114.53027    55.12137
   61    60 S   O    _O35    54     1.22094   126.20801    68.54829
   62    59 S   CO4  _C21    66     1.46901   111.18645   122.08852
   63    62 S   O    _O37    67     1.21781   127.06125  -177.25298
   64    59 S   CM   _C20    69     1.33755   128.07590   -60.26838
   65    64 S   HC   _H18    70     1.08504   121.05189     0.99190
   66    64 S   HC   _H19    71     1.08568   121.95266  -178.90872
   67    58 S   CT   _C23    77     1.52669   111.39787  -179.20574
   68    67 S   HC   _H22    78     1.09567   110.87759    60.57038
   69    67 S   HC   _H23    79     1.09503   111.56364   -60.75009
   70    67 S   HC   _H24    80     1.09647   111.03963   178.85022
   71    60 S   CM   _C13    55     1.45734   110.18644  -109.11333
   72    71 S   HC   _H16    56     1.07397   127.20158   166.00316
   73    83 S   OS   _O38    68     1.44405   107.43648   168.20163
   74    71 S   CM   _C14    57     1.33193   101.24758    -2.99055
   75    74 S   CM   _C15    58     1.44499   126.10851   160.98252
   76    58 S   OS   _O36    76     1.43144   109.40885   -59.68859
   77    75 S   CM   _C16    59     1.35142   118.49346   -85.33337
   78    77 S   HC   _H17    60     1.08797   118.50945  -176.22322
   79    75 S   CT   _C22    72     1.52474   118.02002   101.24090
   80    79 S   OM   _O39    73     1.32443   106.96061   -84.36392
   81    79 S   HC   _H20    74     1.10287   106.18750   148.78845
   82    79 S   HC   _H21    75     1.10287   105.79389    43.16123
   83    77 S   CT   _C17    61     1.51443   124.45590     6.48767
   84    83 S   HC   _H6_    62     1.09330   107.37670    56.34028
  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
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  10  17   8  16   6   5  14   7  11   9  10   5   8   3   4
   1   1   6   3   2   1   6   3   5   9   9   2   7   3   4   2
   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    56    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    58    83    56    57    59  
   52    53    54    55    58    60    77    83    84    56    57    59    62    73    64    76    67  
   53    54    55    58    83    56    57    59  
   54    55    58    60    61    71    74    83    56    57    59    76    67    68    69    70  
   55    58    60    56    76    67  
   58    60    56    76    67  
   57    59    62    63    73    64    65    66    58    75    77    78    83    84  
   59    62    73    64    77    83    84  
   60    61    71    72    74    75    76    67    68    69    70  
   62    63    73    64    65    66    77    83    84  
   61    71    72    74    75    76    67    68    69    70  
   71    72    74    76    67  
   63    73    64    65    66    77    83    84  
   73    64    83  
   65    66    73    83  
   66  
    0  
   68    69    70    71    74    76  
   69    70    76  
   70    76  
   76  
   72    74    75    77    79    76  
   74    75    76  
   75    77    78    83    84  
   75    77    78    83    79    80    81    82    76  
   77    78    83    84    79    80    81    82    76  
   77    79  
   78    83    84    79    80    81    82  
   83    84    79  
   80    81    82    83  
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   77   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   81   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    60   317.000  1.522
   58    76   320.000  1.410
   58    67   268.000  1.529
   60    61   570.000  1.229
   60    71   320.000  1.462
   71    72   340.000  1.080
   71    74   549.000  1.340
   74    75   380.000  1.444
   74    76   440.000  1.360
   75    77   549.000  1.340
   75    79   317.000  1.510
   77    78   340.000  1.080
   77    83   317.000  1.510
   83    84   340.000  1.090
   83    56   268.000  1.529
   83    73   320.000  1.410
   56    57   340.000  1.090
   56    59   317.000  1.510
   59    62   320.000  1.462
   59    64   549.000  1.340
   62    63   570.000  1.229
   62    73   214.000  1.327
   64    65   340.000  1.080
   64    66   340.000  1.080
   79    80   570.000  1.307
   79    81   340.000  1.090
   79    82   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    58.35000  112.70000
   51    56    83    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    59    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    58    60    63.00000  111.10000
   53    58    76    50.00000  109.50000
   53    58    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    60    61    80.00000  120.40000
   58    60    71    65.00000  118.62400
   58    76    74    90.00000  111.18400
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    70    37.50000  110.70000
   60    71    72    40.00000  117.72500
   60    71    74    65.00000  118.96000
   71    60    61    80.00000  123.72100
   71    74    75    70.00000  123.01800
   71    74    76    80.00000  120.01400
   74    71    72    35.00000  120.00000
   74    75    77    70.00000  123.01800
   74    75    79    70.00000  124.00000
   75    77    78    35.00000  120.00000
   75    77    83    70.00000  124.00000
   75    79    80    85.00000  110.90400
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   77    83    84    35.00000  109.50000
   77    83    56    70.00000  112.02700
   77    83    73    85.00000  110.90400
   83    77    78    35.00000  117.00000
   83    56    57    37.50000  110.70000
   83    56    59    70.00000  112.02700
   83    73    62    83.00000  116.90000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    83    84    37.50000  110.70000
   56    59    62    65.00000  116.34900
   56    59    64    70.00000  124.00000
   59    56    57    35.00000  109.50000
   59    62    63    80.00000  123.72100
   59    62    73    90.00000  111.29400
   59    64    65    35.00000  120.00000
   59    64    66    35.00000  120.00000
   73    83    84    35.00000  109.50000
   73    83    56    50.00000  109.50000
   73    62    63    83.00000  123.40000
   64    59    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   79    75    77    70.00000  124.00000
   81    79    80    45.00000  125.66300
   82    79    80    45.00000  125.66300
   82    79    81    33.00000  107.80000
   76    58    60    90.00000  108.74100
   76    74    75    80.00000  120.01400
   67    58    60    63.00000  111.10000
   67    58    76    50.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.25900  1.0 1.0
   44    50    51    53  -0.47000 -1.0 2.0
   44    50    51    53   0.11750  1.0 3.0
   44    50    51    56  -0.25900  1.0 1.0
   44    50    51    56  -0.47000 -1.0 2.0
   44    50    51    56   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    58   0.62750  1.0 1.0
   50    51    53    58  -0.30950 -1.0 2.0
   50    51    53    58   0.27300  1.0 3.0
   50    51    56    83   0.62750  1.0 1.0
   50    51    56    83  -0.30950 -1.0 2.0
   50    51    56    83   0.27300  1.0 3.0
   50    51    56    57   0.23400  1.0 3.0
   50    51    56    59   0.61850  1.0 1.0
   50    51    56    59  -0.22750 -1.0 2.0
   50    51    56    59   0.15300  1.0 3.0
   51    53    58    60  -0.95700  1.0 1.0
   51    53    58    60  -0.18200 -1.0 2.0
   51    53    58    60   0.29450  1.0 3.0
   51    53    58    76   0.62750  1.0 1.0
   51    53    58    76  -0.30950 -1.0 2.0
   51    53    58    76   0.27300  1.0 3.0
   51    53    58    67   0.56750  1.0 1.0
   51    53    58    67  -0.07550 -1.0 2.0
   51    53    58    67   0.20000  1.0 3.0
   51    56    59    62   0.09700  1.0 1.0
   51    56    59    62   0.15600 -1.0 2.0
   51    56    59    62  -0.50800  1.0 3.0
   51    56    59    64   0.09850  1.0 1.0
   51    56    59    64   0.15250 -1.0 2.0
   51    56    59    64  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    83   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    83   0.56750  1.0 1.0
   53    51    56    83  -0.07550 -1.0 2.0
   53    51    56    83   0.20000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    59   0.34400  1.0 1.0
   53    51    56    59   0.09450 -1.0 2.0
   53    51    56    59   0.11100  1.0 3.0
   53    58    60    61   0.30150 -1.0 2.0
   53    58    60    71   0.65300  1.0 1.0
   53    58    60    71  -0.03850 -1.0 2.0
   53    58    60    71   0.33900  1.0 3.0
   53    58    76    74  -0.46850  1.0 1.0
   53    58    76    74   0.09300 -1.0 2.0
   53    58    76    74  -0.12850  1.0 3.0
   53    58    67    68   0.15000  1.0 3.0
   53    58    67    69   0.15000  1.0 3.0
   53    58    67    70   0.15000  1.0 3.0
   54    53    58    60  -0.11250  1.0 3.0
   54    53    58    76   0.23400  1.0 3.0
   54    53    58    67   0.15000  1.0 3.0
   55    53    58    60  -0.11250  1.0 3.0
   55    53    58    76   0.23400  1.0 3.0
   55    53    58    67   0.15000  1.0 3.0
   58    60    71    72   0.04550  1.0 1.0
   58    60    71    72   0.83000 -1.0 2.0
   58    60    71    72  -0.04000  1.0 3.0
   58    60   -71    74  -0.33500  1.0 1.0
   58    60   -71    74   1.06600 -1.0 2.0
   58    60   -71    74  -0.14000  1.0 3.0
   60    58   -76    74  -0.48150  1.0 1.0
   60    58   -76    74   0.09250 -1.0 2.0
   60    58   -76    74  -0.12850  1.0 3.0
   60    58    67    68  -0.11250  1.0 3.0
   60    58    67    69  -0.11250  1.0 3.0
   60    58    67    70  -0.11250  1.0 3.0
   60    71    74    75   7.00000 -1.0 2.0
   60    71   -74    76   7.00000 -1.0 2.0
   61    60    71    72   0.00000  1.0 1.0
   61    60    71    74   1.00000 -1.0 2.0
   71    74    75    77   0.28850  1.0 1.0
   71    74    75    77   2.61350 -1.0 2.0
   71    74    75    77   0.78400  1.0 3.0
   71    74    75    79  -0.18600  1.0 3.0
   71    74   -76    58  -2.26850  1.0 1.0
   71    74   -76    58   3.39050 -1.0 2.0
   72    71    74    75   7.00000 -1.0 2.0
   72    71    74    76   7.00000 -1.0 2.0
   74    75    77    78   7.00000 -1.0 2.0
   74    75    77    83   7.00000 -1.0 2.0
   74    75    79    80   0.39000  1.0 1.0
   74    75    79    80  -0.05800 -1.0 2.0
   74    75    79    80  -0.55150  1.0 3.0
   74    75    79    81   0.00000  1.0 1.0
   74    75    79    82   0.00000  1.0 1.0
   75    74    76    58  -2.26850  1.0 1.0
   75    74    76    58   3.39050 -1.0 2.0
   75    77    83    84   0.00000  1.0 1.0
   75    77    83    56   0.09850  1.0 1.0
   75    77    83    56   0.15250 -1.0 2.0
   75    77    83    56  -0.50650  1.0 3.0
   75    77    83    73   0.39000  1.0 1.0
   75    77    83    73  -0.05800 -1.0 2.0
   75    77    83    73  -0.55150  1.0 3.0
   77    75    79    80   0.39000  1.0 1.0
   77    75    79    80  -0.05800 -1.0 2.0
   77    75    79    80  -0.55150  1.0 3.0
   77    75    79    81   0.00000  1.0 1.0
   77    75    79    82   0.00000  1.0 1.0
   77    83    56    51   0.34400  1.0 1.0
   77    83    56    51   0.09450 -1.0 2.0
   77    83    56    51   0.11100  1.0 3.0
   77    83    56    57   0.15000  1.0 3.0
   77    83    56    59   0.31000  1.0 1.0
   77    83    56    59   0.14700 -1.0 2.0
   77    83    56    59   0.07550  1.0 3.0
   77    83    73    62  -0.82050  1.0 1.0
   77    83    73    62   0.00600 -1.0 2.0
   77    83    73    62   0.04400  1.0 3.0
   78    77    83    84   0.33100  1.0 3.0
   78    77    83    56   0.00000  1.0 1.0
   78    77    83    73   0.00000  1.0 1.0
   83    56   -59    62   0.09700  1.0 1.0
   83    56   -59    62   0.15600 -1.0 2.0
   83    56   -59    62  -0.50800  1.0 3.0
   83    56    59    64   0.09850  1.0 1.0
   83    56    59    64   0.15250 -1.0 2.0
   83    56    59    64  -0.50650  1.0 3.0
   84    83    56    51   0.15000  1.0 3.0
   84    83    56    57   0.15000  1.0 3.0
   84    83    56    59   0.15000  1.0 3.0
   84    83    73    62   0.08050  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    58   0.56750  1.0 1.0
   56    51    53    58  -0.07550 -1.0 2.0
   56    51    53    58   0.20000  1.0 3.0
   56    83   -73    62  -0.25900  1.0 1.0
   56    83   -73    62  -0.47000 -1.0 2.0
   56    83   -73    62   0.11750  1.0 3.0
   56    59    62    63  -0.64400  1.0 1.0
   56    59    62    63   0.26850 -1.0 2.0
   56    59   -62    73  -0.15000  1.0 1.0
   56    59   -62    73   0.89550 -1.0 2.0
   56    59   -62    73  -0.06900  1.0 3.0
   56    59    64    65   7.00000 -1.0 2.0
   56    59    64    66   7.00000 -1.0 2.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    59    64   0.00000  1.0 1.0
   59    62   -73    83   2.00000 -1.0 2.0
   62    59    64    65   7.00000 -1.0 2.0
   62    59    64    66   7.00000 -1.0 2.0
   63    62    73    83   3.00000 -1.0 2.0
   73    83    56    51   0.62750  1.0 1.0
   73    83    56    51  -0.30950 -1.0 2.0
   73    83    56    51   0.27300  1.0 3.0
   73    83    56    57   0.23400  1.0 3.0
   73    83   -56    59   0.61850  1.0 1.0
   73    83   -56    59  -0.22750 -1.0 2.0
   73    83   -56    59   0.15300  1.0 3.0
   64    59    62    63   1.00000 -1.0 2.0
   64    59    62    73  -0.56150  1.0 1.0
   64    59    62    73   2.19150 -1.0 2.0
   79    75    77    78   7.00000 -1.0 2.0
   79    75    77    83   7.00000 -1.0 2.0
   76    58    60    61   0.30150 -1.0 2.0
   76    58   -60    71   0.65300  1.0 1.0
   76    58   -60    71  -0.03850 -1.0 2.0
   76    58   -60    71   0.33900  1.0 3.0
   76    58    67    68   0.23400  1.0 3.0
   76    58    67    69   0.23400  1.0 3.0
   76    58    67    70   0.23400  1.0 3.0
   76    74    75    77  -0.51250  1.0 1.0
   76    74    75    77   1.23350 -1.0 2.0
   76    74    75    79   1.08500 -1.0 2.0
   67    58    60    61   0.30150 -1.0 2.0
   67    58    60    71   0.65300  1.0 1.0
   67    58    60    71  -0.03850 -1.0 2.0
   67    58    60    71   0.33900  1.0 3.0
   67    58    76    74  -0.46850  1.0 1.0
   67    58    76    74   0.09300 -1.0 2.0
   67    58    76    74  -0.12850  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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    50    44    45  10.50000 -1.0 2.0
   58    71    60    61  10.50000 -1.0 2.0
   60    72    71    74   1.10000 -1.0 2.0
   75    76    74    71   1.10000 -1.0 2.0
   74    79    75    77   1.10000 -1.0 2.0
   83    78    77    75   1.10000 -1.0 2.0
   56    62    59    64   1.10000 -1.0 2.0
   59    73    62    63  10.50000 -1.0 2.0
   65    66    64    59   1.10000 -1.0 2.0
END
