* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    167    263     499
    1     0 S   NP   _N1_     1    29.02558    95.57325   -19.21326
    2     1 S   H    _HN1     2     1.02780    82.34625   -73.54029
    3     1 S   H    _H1_     3     1.02954    87.85816    35.25516
    4     1 S   H    _H2_     4     1.02835    39.42830   155.78740
    5     1 S   CT   _CA1     5     1.50201   149.95702   164.47448
    6     5 S   HC   _HA1     6     1.09597   105.05767    53.31613
    7     5 S   CO3  _C1_     7     1.53731   112.36031   -66.32330
    8     7 S   O2Z  _O11     8     1.26430   115.03287   -43.48393
    9     7 S   O2Z  _O12     9     1.26227   114.88152   135.38866
   10     5 S   CT   _CB1    10     1.53115   107.30086   170.72990
   11    10 S   HC   HB11    11     1.09820   108.81135   -52.61209
   12    10 S   HC   HB12    12     1.09787   110.57244    63.67281
   13    10 S   CT   _CG1    13     1.53055   112.97184  -173.88278
   14    13 S   HC   HG11    14     1.09599   110.26803   -70.19797
   15    13 S   HC   HG12    15     1.09666   110.01328    48.94454
   16    13 S   C    _CD1    16     1.51993   112.42744   168.86983
   17    16 S   O    _OE1    17     1.22735   123.23506    -2.87324
   18    16 S   N    _N2_    18     1.38666   111.76562   177.96539
   19    18 S   H    _HN2    19     1.01592   118.87253    -0.88049
   20    18 S   CT1  _CA2    20     1.46444   123.51982   178.03019
   21    20 S   HC   _HA2    21     1.09742   109.27838   -15.20173
   22    20 S   C    _C2_    22     1.53465   108.07876  -130.66030
   23    22 S   O    _O2_    23     1.23007   122.29333  -145.50067
   24    20 S   CT   _CB2    32     1.53474   111.60570   107.19185
   25    24 S   HC   HB21    33     1.09541   109.40413    53.42545
   26    24 S   HC   HB22    34     1.09486   110.90145   172.11733
   27    22 S   N    _N3_    24     1.38522   113.31083    41.80234
   28    27 S   H    _HN3    25     1.01533   118.89829    -0.65581
   29    24 S   S    _SG2    35     1.82723   111.35730   -68.55946
   30    27 S   CT   _CA3    26     1.45456   123.53356   175.14615
   31    30 S   HC   HA31    27     1.09516   109.33023    22.36696
   32    30 S   HC   HA32    28     1.09497   107.09349   139.39512
   33    29 S   CT   _C20    36     1.84538   100.11263   148.93949
   34    33 S   HC   _H7_    37     1.09638   107.42249   -32.27498
   35    30 S   CO3  _C3_    29     1.52924   113.07453  -101.17184
   36    35 S   O2Z  _O31    30     1.26405   115.39987   -44.14952
   37    35 S   O2Z  _O32    31     1.26353   114.98382   136.77272
   38    33 S   CT   _C7_    38     1.56567   111.97891  -150.21038
   39    33 S   CT   _C21    84     1.53195   107.42078    83.78133
   40    39 S   HC   _H26    85     1.09537   112.27860    60.52794
   41    39 S   HC   _H27    86     1.09604   111.17082   -60.38244
   42    39 S   HC   _H28    87     1.09459   111.08968  -178.86979
   43    38 S   CO4  _C8_    39     1.53392   108.39677   175.40637
   44    43 S   O    _O33    40     1.22547   123.74325   108.12178
   45    38 S   CT   _C6_    67     1.55120   111.84999    53.59733
   46    45 S   HC   _H11    68     1.09617   107.02822    44.24161
   47    45 S   HC   _H12    69     1.09753   109.57113   -70.65398
   48    38 S   OH   _O38    82     1.42478   109.95896   -66.95454
   49    48 S   HO   _H29    83     0.97227   108.61449   -66.24181
   50    43 S   OS   _O34    41     1.36861   110.93699   -69.80602
   51    50 S   CT   _C9_    42     1.43847   116.36480   172.64155
   52    51 S   HC   _H4_    43     1.09743   109.88457    44.65380
   53    51 S   CT   _C10    44     1.53398   107.99607   -76.88503
   54    53 S   HC   _H13    45     1.09490   111.68918    96.80673
   55    53 S   HC   _H14    46     1.09716   110.93593   -22.05096
   56    53 S   CT   _C11    47     1.50628   105.91051  -141.64078
   57    56 S   HC   _H15    48     1.09331   114.47750   152.74184
   58    56 S   HC   _H16    49     1.09487   111.76082   -81.14504
   59    56 S   NP   _N4_    50     1.48975   103.51347    33.51139
   60    59 S   H    _H5_    51     1.02947   109.73157  -153.27779
   61    59 S   CT   _C15    52     1.51614   117.63879    82.89426
   62    61 S   HC   _H18    53     1.09313   107.03447   100.04883
   63    61 S   HC   _H19    54     1.09410   109.48645   -20.19575
   64    61 S   CM   _C14    55     1.49350   104.82077  -140.16197
   65    64 S   HC   _H17    56     1.08088   123.53103  -162.26559
   66    64 S   CM   _C13    57     1.34191   111.23020    12.08265
   67    66 S   CT   _C16    58     1.49218   125.93792  -168.31453
   68    67 S   HC   _H20    59     1.09622   111.23020     1.66024
   69    67 S   HC   _H21    60     1.09596   108.90951   118.20783
   70    51 S   CT   _C12    80     1.54931   112.68253   165.60109
   71    70 S   HC   _H6_    81     1.09602   110.96593  -130.23155
   72    67 S   OS   _O35    61     1.43365   111.51234  -124.24648
   73    72 S   CO4  _C17    62     1.36642   117.11305   111.91780
   74    73 S   O    _O36    63     1.22457   125.49107    -5.10269
   75    73 S   CT   _C18    64     1.53533   110.59018   174.61038
   76    75 S   CT   _C5_    65     1.55970   110.90609    55.08481
   77    76 S   HC   _H3_    66     1.09554   107.65334   -59.93709
   78    75 S   CT   _C19    74     1.53151   107.99742   -70.01883
   79    78 S   HC   _H22    75     1.09497   111.62353  -165.38252
   80    78 S   HC   _H23    76     1.09494   111.70392    72.27097
   81    78 S   HC   _H24    77     1.09694   110.69061   -47.61786
   82    75 S   OH   _O37    78     1.42689   107.97643   173.62065
   83    82 S   HO   _H25    79     0.97642   108.29256    58.30664
   84    76 S   CT   _C4_    70     1.53608   112.04314  -177.15924
   85    84 S   HC   _H8_    71     1.09480   111.60585   -62.73713
   86    84 S   HC   _H9_    72     1.09286   111.40051   176.34977
   87    84 S   HC   _H10    73     1.09407   111.35873    58.16990
  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
  15   8   2   1   1  17   6   2   1   1  12   4  15   6   5   3
   1  10  15   8  11   6   5  11   5   4  10   7   8   5   4   8
   3   7   8   4   3   2   1   6  11   4  12  11   6   6   3   2
   1   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    48    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    50    76    45    46    47    48    49    39    40    41    42  
   38    43    45    48    39    40    41    42  
   36    37  
   37  
    0  
   43    44    50    51    75    76    77    45    46    47    84    48    49    39    40    41    42  
   40    41    42    43    45    48  
   41    42  
   42  
    0  
   44    50    51    52    53    76    45    46    47    70    48    49  
   50    51    45    48  
   46    47    84    85    86    87    78    82    48    49    50    73    75    76    77  
   47    84    48    75    76    77  
   84    48    75    76    77  
   49    50    76  
    0  
   51    52    53    54    55    56    59    66    70    71  
   52    53    54    55    56    57    58    59    60    61    64    66    67    70    71  
   53    54    55    56    59    66    70    71  
   54    55    56    57    58    59    60    61    66    70    71  
   55    56    57    58    59    70  
   56    57    58    59    70  
   57    58    59    60    61    62    63    64    66    70    71  
   58    59    60    61    70  
   59    60    61    70  
   60    61    62    63    64    65    66    67    70    71  
   61    62    63    64    66    70    71  
   62    63    64    65    66    67    70    71  
   63    64    65    66    70  
   64    65    66    70  
   65    66    67    68    69    72    70    71  
   66    67    70  
   67    68    69    72    73    70    71  
   68    69    72    73    74    75    70    71  
   69    72    73    70  
   72    73    70  
   71    72  
    0  
   73    74    75    76    78    82  
   74    75    76    77    84    78    79    80    81    82    83  
   75    76    78    82  
   76    77    84    85    86    87    78    79    80    81    82    83  
   77    84    85    86    87    78    79    80    81    82    83  
   84    85    86    87    78    82  
   79    80    81    82    83    84  
   80    81    82  
   81    82  
   82  
   83    84  
    0  
   85    86    87  
   86    87  
   87  
    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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   60   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   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  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   268.000  1.529
   38    43   317.000  1.522
   38    45   268.000  1.529
   38    48   320.000  1.410
   43    44   570.000  1.229
   43    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    70   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   367.000  1.471
   59    60   434.000  1.010
   59    61   367.000  1.471
   59    70   367.000  1.471
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   317.000  1.510
   64    65   340.000  1.080
   64    66   549.000  1.340
   66    67   317.000  1.510
   66    70   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   320.000  1.410
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   268.000  1.529
   75    78   268.000  1.529
   75    82   320.000  1.410
   76    77   340.000  1.090
   76    45   268.000  1.529
   76    84   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   553.000  0.945
   70    71   340.000  1.090
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    39    75.00000  111.63000
   33    38    43    63.00000  111.10000
   33    38    45    58.35000  112.70000
   33    38    48    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    43    44    80.00000  120.40000
   38    43    50    81.00000  111.40000
   38    45    76    58.35000  112.70000
   38    45    46    37.50000  110.70000
   38    45    47    37.50000  110.70000
   38    48    49    55.00000  108.50000
   43    50    51    83.00000  116.90000
   50    43    44    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    70    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    58.35000  112.70000
   51    70    59    80.00000  111.20000
   51    70    66    70.00000  112.02700
   51    70    71    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    80.00000  111.20000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    35.00000  109.50000
   56    59    61    75.00000  113.01200
   56    59    70    75.00000  113.01200
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    75.00000  110.06800
   59    70    66    75.00000  110.06800
   59    70    71    35.00000  109.50000
   61    59    60    35.00000  109.50000
   61    64    65    35.00000  117.00000
   61    64    66    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    66    67    70.00000  124.00000
   64    66    70    70.00000  124.00000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  109.50000
   66    67    69    35.00000  109.50000
   66    67    72    85.00000  110.90400
   66    70    71    35.00000  109.50000
   67    72    73    83.00000  116.90000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    63.00000  111.10000
   73    75    78    63.00000  111.10000
   73    75    82    90.00000  109.61100
   75    73    74    80.00000  120.40000
   75    76    77    37.50000  110.70000
   75    76    45    58.35000  112.70000
   75    76    84    58.35000  112.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   75    82    83    55.00000  108.50000
   76    45    46    37.50000  110.70000
   76    45    47    37.50000  110.70000
   76    84    85    37.50000  110.70000
   76    84    86    37.50000  110.70000
   76    84    87    37.50000  110.70000
   45    38    43    63.00000  111.10000
   45    76    77    37.50000  110.70000
   47    45    46    33.00000  107.80000
   84    76    77    37.50000  110.70000
   84    76    45    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   78    75    76    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    75    76    50.00000  109.50000
   82    75    78    50.00000  109.50000
   70    51    52    37.50000  110.70000
   70    51    53    58.35000  112.70000
   70    59    60    35.00000  109.50000
   70    59    61    75.00000  113.01200
   70    66    67    65.00000  117.92700
   48    38    43    90.00000  109.61100
   48    38    45    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    38    45   0.44750  1.0 1.0
   29    33    38    45  -0.17800 -1.0 2.0
   29    33    38    45   0.20200  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    50   0.36750  1.0 3.0
   33    38    45    76   0.56750  1.0 1.0
   33    38    45    76  -0.07550 -1.0 2.0
   33    38    45    76   0.20000  1.0 3.0
   33    38    45    46   0.15000  1.0 3.0
   33    38    45    47   0.15000  1.0 3.0
   33    38    48    49  -0.11600  1.0 1.0
   33    38    48    49  -0.09450 -1.0 2.0
   33    38    48    49   0.21250  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    38    45   0.15000  1.0 3.0
   34    33    38    48   0.23400  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    50    51   1.63150  1.0 1.0
   38    43    50    51   2.92000 -1.0 2.0
   43    38    45    76  -0.95700  1.0 1.0
   43    38    45    76  -0.18200 -1.0 2.0
   43    38    45    76   0.29450  1.0 3.0
   43    38    45    46  -0.11250  1.0 3.0
   43    38    45    47  -0.11250  1.0 3.0
   43    38    48    49   0.91850  1.0 1.0
   43    38    48    49   0.57950  1.0 3.0
   43    50    51    52   0.08050  1.0 3.0
   43    50    51    53  -0.25900  1.0 1.0
   43    50    51    53  -0.47000 -1.0 2.0
   43    50    51    53   0.11750  1.0 3.0
   43    50    51    70  -0.25900  1.0 1.0
   43    50    51    70  -0.47000 -1.0 2.0
   43    50    51    70   0.11750  1.0 3.0
   44    43    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    56   0.62750  1.0 1.0
   50    51    53    56  -0.30950 -1.0 2.0
   50    51    53    56   0.27300  1.0 3.0
   50    51    70    59   1.69300  1.0 1.0
   50    51    70    59  -0.48450 -1.0 2.0
   50    51    70    66   0.61850  1.0 1.0
   50    51    70    66  -0.22750 -1.0 2.0
   50    51    70    66   0.15300  1.0 3.0
   50    51    70    71   0.23400  1.0 3.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    58   0.15000  1.0 3.0
   51    53   -56    59   1.36600  1.0 1.0
   51    53   -56    59  -0.11450 -1.0 2.0
   51    53   -56    59   0.24250  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    56   0.15000  1.0 3.0
   52    51    70    59   0.19200  1.0 3.0
   52    51    70    66   0.15000  1.0 3.0
   52    51    70    71   0.15000  1.0 3.0
   53    51   -70    59   1.36600  1.0 1.0
   53    51   -70    59  -0.11450 -1.0 2.0
   53    51   -70    59   0.24250  1.0 3.0
   53    51    70    66   0.34400  1.0 1.0
   53    51    70    66   0.09450 -1.0 2.0
   53    51    70    66   0.11100  1.0 3.0
   53    51    70    71   0.15000  1.0 3.0
   53    56    59    60   0.17350  1.0 3.0
   53    56    59    61   0.47100  1.0 1.0
   53    56   -59    70   0.47100  1.0 1.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.19200  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.19200  1.0 3.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    63   0.15000  1.0 3.0
   56    59    61    64   0.08000 -1.0 2.0
   56    59   -70    51   0.47100  1.0 1.0
   56    59    70    66   0.08000 -1.0 2.0
   56    59    70    71   0.15000  1.0 3.0
   57    56    59    60   0.13050  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    70   0.15000  1.0 3.0
   58    56    59    60   0.13050  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    70   0.15000  1.0 3.0
   59    61    64    65   0.00000  1.0 1.0
   59    61   -64    66   0.80850  1.0 1.0
   59    61   -64    66  -0.47300 -1.0 2.0
   59    61   -64    66  -0.52300  1.0 3.0
   60    59    61    62   0.13050  1.0 3.0
   60    59    61    63   0.13050  1.0 3.0
   60    59    61    64   0.17350  1.0 3.0
   60    59    70    51   0.17350  1.0 3.0
   60    59    70    66   0.17350  1.0 3.0
   60    59    70    71   0.13050  1.0 3.0
   61    59    70    51   0.47100  1.0 1.0
   61    59   -70    66   0.08000 -1.0 2.0
   61    59    70    71   0.15000  1.0 3.0
   61    64    66    67   7.00000 -1.0 2.0
   61    64   -66    70   7.00000 -1.0 2.0
   62    61    64    65   0.33100  1.0 3.0
   62    61    64    66   0.00000  1.0 1.0
   63    61    64    65   0.33100  1.0 3.0
   63    61    64    66   0.00000  1.0 1.0
   64    66    67    68   0.00000  1.0 1.0
   64    66    67    69   0.00000  1.0 1.0
   64    66    67    72   0.39000  1.0 1.0
   64    66    67    72  -0.05800 -1.0 2.0
   64    66    67    72  -0.55150  1.0 3.0
   64    66    70    51   0.09850  1.0 1.0
   64    66    70    51   0.15250 -1.0 2.0
   64    66    70    51  -0.50650  1.0 3.0
   64    66   -70    59   0.80850  1.0 1.0
   64    66   -70    59  -0.47300 -1.0 2.0
   64    66   -70    59  -0.52300  1.0 3.0
   64    66    70    71   0.00000  1.0 1.0
   65    64    66    67   7.00000 -1.0 2.0
   65    64    66    70   7.00000 -1.0 2.0
   66    67    72    73  -0.82050  1.0 1.0
   66    67    72    73   0.00600 -1.0 2.0
   66    67    72    73   0.04400  1.0 3.0
   67    66    70    51   0.46850  1.0 1.0
   67    66    70    51   0.08550 -1.0 2.0
   67    66    70    51   0.09800  1.0 3.0
   67    66    70    59   0.52100  1.0 1.0
   67    66    70    59  -0.20350 -1.0 2.0
   67    66    70    59   0.29750  1.0 3.0
   67    66    70    71   0.34800  1.0 3.0
   67    72    73    74   3.00000 -1.0 2.0
   67    72    73    75   1.63150  1.0 1.0
   67    72    73    75   2.92000 -1.0 2.0
   68    67    72    73   0.08050  1.0 3.0
   69    67    72    73   0.08050  1.0 3.0
   72    73    75    76   0.36750  1.0 3.0
   72    73    75    78   0.36750  1.0 3.0
   72    73    75    82   0.30750  1.0 1.0
   72    73    75    82   1.13850 -1.0 2.0
   72    73    75    82   0.38850  1.0 3.0
   73    75    76    77  -0.11250  1.0 3.0
   73    75    76    45  -0.95700  1.0 1.0
   73    75    76    45  -0.18200 -1.0 2.0
   73    75    76    45   0.29450  1.0 3.0
   73    75    76    84  -0.95700  1.0 1.0
   73    75    76    84  -0.18200 -1.0 2.0
   73    75    76    84   0.29450  1.0 3.0
   73    75    78    79  -0.11250  1.0 3.0
   73    75    78    80  -0.11250  1.0 3.0
   73    75    78    81  -0.11250  1.0 3.0
   73    75    82    83   0.91850  1.0 1.0
   73    75    82    83   0.57950  1.0 3.0
   74    73    75    76   0.30150 -1.0 2.0
   74    73    75    78   0.30150 -1.0 2.0
   74    73    75    82   0.30150 -1.0 2.0
   75    76    45    38   0.56750  1.0 1.0
   75    76    45    38  -0.07550 -1.0 2.0
   75    76    45    38   0.20000  1.0 3.0
   75    76    45    46   0.15000  1.0 3.0
   75    76    45    47   0.15000  1.0 3.0
   75    76    84    85   0.15000  1.0 3.0
   75    76    84    86   0.15000  1.0 3.0
   75    76    84    87   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   76    75    82    83  -0.11600  1.0 1.0
   76    75    82    83  -0.09450 -1.0 2.0
   76    75    82    83   0.21250  1.0 3.0
   77    76    45    38   0.15000  1.0 3.0
   77    76    45    46   0.15000  1.0 3.0
   77    76    45    47   0.15000  1.0 3.0
   77    76    84    85   0.15000  1.0 3.0
   77    76    84    86   0.15000  1.0 3.0
   77    76    84    87   0.15000  1.0 3.0
   45    38    43    44   0.30150 -1.0 2.0
   45    38    43    50   0.36750  1.0 3.0
   45    38    48    49  -0.11600  1.0 1.0
   45    38    48    49  -0.09450 -1.0 2.0
   45    38    48    49   0.21250  1.0 3.0
   45    76    84    85   0.15000  1.0 3.0
   45    76    84    86   0.15000  1.0 3.0
   45    76    84    87   0.15000  1.0 3.0
   84    76    45    38   0.56750  1.0 1.0
   84    76    45    38  -0.07550 -1.0 2.0
   84    76    45    38   0.20000  1.0 3.0
   84    76    45    46   0.15000  1.0 3.0
   84    76    45    47   0.15000  1.0 3.0
   78    75    76    77   0.15000  1.0 3.0
   78    75    76    45   0.56750  1.0 1.0
   78    75    76    45  -0.07550 -1.0 2.0
   78    75    76    45   0.20000  1.0 3.0
   78    75    76    84   0.56750  1.0 1.0
   78    75    76    84  -0.07550 -1.0 2.0
   78    75    76    84   0.20000  1.0 3.0
   78    75    82    83  -0.11600  1.0 1.0
   78    75    82    83  -0.09450 -1.0 2.0
   78    75    82    83   0.21250  1.0 3.0
   82    75    76    77   0.23400  1.0 3.0
   82    75    76    45   0.86500  1.0 1.0
   82    75    76    45  -0.17500 -1.0 2.0
   82    75    76    45   0.20800  1.0 3.0
   82    75    76    84   0.86500  1.0 1.0
   82    75    76    84  -0.17500 -1.0 2.0
   82    75    76    84   0.20800  1.0 3.0
   82    75    78    79   0.23400  1.0 3.0
   82    75    78    80   0.23400  1.0 3.0
   82    75    78    81   0.23400  1.0 3.0
   70    51    53    54   0.15000  1.0 3.0
   70    51    53    55   0.15000  1.0 3.0
   70    51   -53    56   0.56750  1.0 1.0
   70    51   -53    56  -0.07550 -1.0 2.0
   70    51   -53    56   0.20000  1.0 3.0
   70    59    61    62   0.15000  1.0 3.0
   70    59    61    63   0.15000  1.0 3.0
   70    59   -61    64   0.08000 -1.0 2.0
   70    66    67    68   0.34800  1.0 3.0
   70    66    67    69   0.34800  1.0 3.0
   70    66    67    72   0.09700  1.0 1.0
   70    66    67    72   0.15600 -1.0 2.0
   70    66    67    72  -0.50800  1.0 3.0
   48    38    43    44   0.30150 -1.0 2.0
   48    38    43    50   0.30750  1.0 1.0
   48    38    43    50   1.13850 -1.0 2.0
   48    38    43    50   0.38850  1.0 3.0
   48    38    45    76   0.86500  1.0 1.0
   48    38    45    76  -0.17500 -1.0 2.0
   48    38    45    76   0.20800  1.0 3.0
   48    38    45    46   0.23400  1.0 3.0
   48    38    45    47   0.23400  1.0 3.0
   39    33    38    43  -0.95700  1.0 1.0
   39    33    38    43  -0.18200 -1.0 2.0
   39    33    38    43   0.29450  1.0 3.0
   39    33    38    45   0.56750  1.0 1.0
   39    33    38    45  -0.07550 -1.0 2.0
   39    33    38    45   0.20000  1.0 3.0
   39    33    38    48   0.86500  1.0 1.0
   39    33    38    48  -0.17500 -1.0 2.0
   39    33    38    48   0.20800  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
   38    50    43    44  10.50000 -1.0 2.0
   61    65    64    66   1.10000 -1.0 2.0
   67    70    66    64   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
END
