* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    165    258     489
    1     0 S   NP   _N1_     1    28.83655    93.78099   -20.44730
    2     1 S   H    _HN1     2     1.02778    85.61596   -77.61268
    3     1 S   H    _H1_     3     1.02961    97.29085    30.33314
    4     1 S   H    _H2_     4     1.02838    29.30285   142.39410
    5     1 S   CT   _CA1     5     1.50115   138.77530   163.13033
    6     5 S   HC   _HA1     6     1.09566   105.28032    48.52617
    7     5 S   CO3  _C1_     7     1.53843   112.31058   -71.83060
    8     7 S   O2Z  _O11     8     1.26368   115.00602   -44.20033
    9     7 S   O2Z  _O12     9     1.26235   114.93043   134.99063
   10     5 S   CT   _CB1    10     1.53084   107.43865   166.56837
   11    10 S   HC   HB11    11     1.09820   109.53906   -49.41901
   12    10 S   HC   HB12    12     1.09832   110.31122    67.17893
   13    10 S   CT   _CG1    13     1.53016   112.65064  -170.50802
   14    13 S   HC   HG11    14     1.09575   110.35174   -59.37538
   15    13 S   HC   HG12    15     1.09620   110.17303    59.84164
   16    13 S   C    _CD1    16     1.51790   112.10024  -179.81762
   17    16 S   O    _OE1    17     1.22733   123.18088   -10.38499
   18    16 S   N    _N2_    18     1.38602   111.69792   169.80821
   19    18 S   H    _HN2    19     1.01582   119.05971     2.23686
   20    18 S   CT1  _CA2    20     1.46309   123.37069  -175.78606
   21    20 S   HC   _HA2    21     1.09728   109.37437   -14.17408
   22    20 S   C    _C2_    22     1.53344   108.43736  -130.06977
   23    22 S   O    _O2_    23     1.23006   122.28405  -145.86964
   24    20 S   CT   _CB2    32     1.53505   111.07566   107.74143
   25    24 S   HC   HB21    33     1.09575   109.42062    56.23335
   26    24 S   HC   HB22    34     1.09494   110.82276   175.00252
   27    22 S   N    _N3_    24     1.38525   113.32440    41.53032
   28    27 S   H    _HN3    25     1.01531   118.89807    -0.57743
   29    24 S   S    _SG2    35     1.82793   111.39504   -65.12203
   30    27 S   CT   _CA3    26     1.45446   123.41439   175.06652
   31    30 S   HC   HA31    27     1.09526   109.19121    25.28067
   32    30 S   HC   HA32    28     1.09494   107.13421   142.28071
   33    29 S   CT   _C20    36     1.83324    99.66300   152.57770
   34    33 S   HC   _H9_    37     1.09459   110.95358   -36.91970
   35    30 S   CO3  _C3_    29     1.52929   113.14417   -98.16232
   36    35 S   O2Z  _O31    30     1.26400   115.41719   -44.16933
   37    35 S   O2Z  _O32    31     1.26357   114.97369   136.76751
   38    33 S   CM   _C19    38     1.49474   108.29429    85.53703
   39    38 S   HC   _H19    39     1.08359   123.44651   -44.22384
   40    38 S   CMA  _C18    40     1.34366   113.56202   136.75108
   41    40 S   OM   _O37    41     1.25843   132.78614   178.99517
   42    40 S   CT   _C17    42     1.56307   109.71459     3.39707
   43    33 S   CT   _C16    43     1.54846   112.83070  -162.88604
   44    43 S   HC   _H8_    44     1.10052   105.84551   -32.42974
   45    42 S   CT   _C9_    63     1.57079   113.83799  -141.08476
   46    45 S   HC   _H3_    64     1.09408   107.64794   -51.70697
   47    42 S   CT   _C21    83     1.54786   104.93821    94.84032
   48    47 S   HC   _H20    84     1.08486   113.56689  -169.39358
   49    47 S   HC   _H21    85     1.09484   111.33443    69.15760
   50    47 S   HC   _H22    86     1.09725   111.89301   -49.94325
   51    43 S   CT   _C15    45     1.54834   117.36541    85.32663
   52    51 S   HC   _H7_    46     1.09404   110.25150    74.29429
   53    45 S   OS   _O34    65     1.46592   106.49188    62.13926
   54    51 S   CT   _C14    47     1.54405   110.30378  -164.41860
   55    54 S   HC   _H17    48     1.09738   110.44910    50.04694
   56    54 S   HC   _H18    49     1.09946   107.10811   164.66210
   57    53 S   CO4  _C8_    66     1.35852   118.93595  -141.62740
   58    57 S   O    _O33    67     1.22215   126.28354    -4.57522
   59    51 S   CT   _C22    79     1.53694   113.46260   -43.47064
   60    59 S   HC   _H23    80     1.09468   111.62978   -59.62914
   61    59 S   HC   _H24    81     1.09605   110.59693  -179.19400
   62    59 S   HC   _H25    82     1.09381   111.46403    62.90743
   63    54 S   CT   _C13    50     1.52192   117.58420   -76.73778
   64    63 S   HC   _H6_    51     1.10089   105.37991  -165.57551
   65    57 S   CM   _C6_    68     1.49484   108.96707   176.18253
   66    63 S   CT   _C10    52     1.52470   120.92433    73.13577
   67    66 S   HC   _H4_    53     1.10016   105.90152    89.72689
   68    65 S   CM   _C5_    69     1.34608   116.01610   159.96581
   69    68 S   HC   _H13    70     1.08930   119.29474    -0.40251
   70    65 S   CT   _C7_    75     1.50054   118.00107   -21.61961
   71    70 S   HC   _H14    76     1.09575   110.50231   -45.42206
   72    70 S   HC   _H15    77     1.09489   110.40489    74.59818
   73    70 S   HC   _H16    78     1.09257   113.01489  -164.37109
   74    66 S   CT   _C11    54     1.53846   100.29165  -160.24898
   75    74 S   HC   _H5_    55     1.09962   108.02707   -81.29413
   76    68 S   CT   _C4_    71     1.49550   127.29554  -179.33914
   77    76 S   HC   _H10    72     1.09425   109.82170  -113.50422
   78    76 S   HC   _H11    73     1.09494   109.41780   128.03252
   79    76 S   HC   _H12    74     1.09175   113.68939     8.15784
   80    74 S   CO4  _C12    56     1.50524   103.26732    30.08659
   81    80 S   O    _O35    57     1.22094   126.25986   162.79347
   82    74 S   CT   _C23    59     1.51657   118.26654   156.19997
   83    82 S   HC   _H26    60     1.09237   112.48887   -66.55488
   84    82 S   HC   _H27    61     1.09600   110.22021   174.78819
   85    82 S   HC   _H28    62     1.09450   111.01171    55.76143
   86    63 S   OS   _O36    58     1.43359   111.19745   -52.33643
  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   9   5   4   3
  14   7   2   1   1   9   4  13   4  18  19   6  20   7   6   2
   1   1  12   8   9  13   6   5  10   3   4   2   1   1   9   5
  10  10   5   9   5   4   2   1   1   8   7   3   2   1   1   6
   2   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    54    45    59    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    66    45    46    53    47    48    49    50  
   42    43    45    47  
   43    44    51    52    54    63    66    67    74    45    46    53    57    59    47    48    49    50  
   44    51    52    54    55    56    63    66    45    46    53    59    60    61    62    47    48    49    50  
   51    52    54    45    59    47  
   46    53    57    58    65    47    48    49    50    51    54    63    64    66    67    74    75    80    82    86  
   53    57    47    63    66    67    74  
   48    49    50    51    53    66  
   49    50  
   50  
    0  
   52    54    55    56    63    64    66    86    59    60    61    62  
   54    55    56    63    59    60    61    62  
   57    58    65    68    70    63    66    67    74  
   55    56    63    64    66    67    74    80    86    59    60    61    62  
   56    63    64    66    86    59  
   63    64    66    86    59  
   58    65    68    69    76    70    71    72    73    66  
   65    68    70  
   60    61    62    63  
   61    62  
   62  
    0  
   64    66    67    74    75    80    81    86    82  
   66    67    74    80    86  
   68    69    76    77    78    79    70    71    72    73  
   67    74    75    80    81    86    82    83    84    85  
   74    75    80    86    82  
   69    76    77    78    79    70    71    72    73  
   76    77    78    79    70  
   71    72    73    76  
   72    73  
   73  
    0  
   75    80    81    86    82    83    84    85  
   80    81    86    82    83    84    85  
   77    78    79  
   78    79  
   79  
    0  
   81    86    82    83    84    85  
   86    82  
   83    84    85    86  
   84    85  
   85  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    59   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    86   320.000  1.410
   66    67   340.000  1.090
   66    74   268.000  1.529
   66    45   268.000  1.529
   74    75   340.000  1.090
   74    80   317.000  1.522
   74    82   268.000  1.529
   80    81   570.000  1.229
   80    86   214.000  1.327
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   45    46   340.000  1.090
   45    53   320.000  1.410
   53    57   214.000  1.327
   57    58   570.000  1.229
   57    65   320.000  1.462
   65    68   549.000  1.340
   65    70   317.000  1.510
   68    69   340.000  1.080
   68    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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  112.20000
   29    33    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    66    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    53    50.00000  109.50000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    54    58.35000  112.70000
   43    51    59    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    63    58.35000  112.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   54    51    52    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    66    58.35000  112.70000
   54    63    86    50.00000  109.50000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    74    58.35000  112.70000
   63    66    45    58.35000  112.70000
   63    86    80    83.00000  116.90000
   66    63    64    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    80    63.00000  111.10000
   66    74    82    58.35000  112.70000
   66    45    46    37.50000  110.70000
   66    45    53    50.00000  109.50000
   74    66    67    37.50000  110.70000
   74    80    81    80.00000  120.40000
   74    80    86    81.00000  111.40000
   74    82    83    37.50000  110.70000
   74    82    84    37.50000  110.70000
   74    82    85    37.50000  110.70000
   80    74    75    35.00000  109.50000
   86    63    64    35.00000  109.50000
   86    63    66    50.00000  109.50000
   86    80    81    83.00000  123.40000
   82    74    75    37.50000  110.70000
   82    74    80    63.00000  111.10000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   45    42    43    58.35000  112.70000
   45    66    67    37.50000  110.70000
   45    66    74    58.35000  112.70000
   45    53    57    83.00000  116.90000
   53    45    46    35.00000  109.50000
   53    57    58    83.00000  123.40000
   53    57    65    90.00000  111.29400
   57    65    68    65.00000  118.96000
   57    65    70    65.00000  116.34900
   65    57    58    80.00000  123.72100
   65    68    69    35.00000  120.00000
   65    68    76    70.00000  124.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   68    76    77    35.00000  109.50000
   68    76    78    35.00000  109.50000
   68    76    79    35.00000  109.50000
   76    68    69    35.00000  117.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   70    65    68    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    54    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.44750  1.0 1.0
   29    33    43    42  -0.17800 -1.0 2.0
   29    33    43    42   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    51   0.44750  1.0 1.0
   29    33    43    51  -0.17800 -1.0 2.0
   29    33    43    51   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    51    52   0.15000  1.0 3.0
   33    43    51    54   0.56750  1.0 1.0
   33    43    51    54  -0.07550 -1.0 2.0
   33    43    51    54   0.20000  1.0 3.0
   33    43    51    59   0.56750  1.0 1.0
   33    43    51    59  -0.07550 -1.0 2.0
   33    43    51    59   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    51   0.15000  1.0 3.0
   38    33   -43    42   0.34400  1.0 1.0
   38    33   -43    42   0.09450 -1.0 2.0
   38    33   -43    42   0.11100  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    51   0.34400  1.0 1.0
   38    33    43    51   0.09450 -1.0 2.0
   38    33    43    51   0.11100  1.0 3.0
   38    40   -42    43   0.09850  1.0 1.0
   38    40   -42    43   0.15250 -1.0 2.0
   38    40   -42    43  -0.50650  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.34400  1.0 1.0
   40    42   -43    33   0.09450 -1.0 2.0
   40    42   -43    33   0.11100  1.0 3.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.34400  1.0 1.0
   40    42    43    51   0.09450 -1.0 2.0
   40    42    43    51   0.11100  1.0 3.0
   40    42    45    66   0.34400  1.0 1.0
   40    42    45    66   0.09450 -1.0 2.0
   40    42    45    66   0.11100  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    53   0.61850  1.0 1.0
   40    42    45    53  -0.22750 -1.0 2.0
   40    42    45    53   0.15300  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    52   0.15000  1.0 3.0
   42    43    51    54   0.56750  1.0 1.0
   42    43    51    54  -0.07550 -1.0 2.0
   42    43    51    54   0.20000  1.0 3.0
   42    43    51    59   0.56750  1.0 1.0
   42    43    51    59  -0.07550 -1.0 2.0
   42    43    51    59   0.20000  1.0 3.0
   42    45    53    57  -0.25900  1.0 1.0
   42    45    53    57  -0.47000 -1.0 2.0
   42    45    53    57   0.11750  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    66   0.56750  1.0 1.0
   43    42    45    66  -0.07550 -1.0 2.0
   43    42    45    66   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    53   0.62750  1.0 1.0
   43    42    45    53  -0.30950 -1.0 2.0
   43    42    45    53   0.27300  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    54    55   0.15000  1.0 3.0
   43    51    54    56   0.15000  1.0 3.0
   43    51    54    63   0.56750  1.0 1.0
   43    51    54    63  -0.07550 -1.0 2.0
   43    51    54    63   0.20000  1.0 3.0
   43    51    59    60   0.15000  1.0 3.0
   43    51    59    61   0.15000  1.0 3.0
   43    51    59    62   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   44    43    51    59   0.15000  1.0 3.0
   51    54    63    64   0.15000  1.0 3.0
   51    54    63    66   0.56750  1.0 1.0
   51    54    63    66  -0.07550 -1.0 2.0
   51    54    63    66   0.20000  1.0 3.0
   51    54    63    86   0.62750  1.0 1.0
   51    54    63    86  -0.30950 -1.0 2.0
   51    54    63    86   0.27300  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    63   0.15000  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   54    51    59    60   0.15000  1.0 3.0
   54    51    59    61   0.15000  1.0 3.0
   54    51    59    62   0.15000  1.0 3.0
   54    63    66    67   0.15000  1.0 3.0
   54    63    66    74   0.56750  1.0 1.0
   54    63    66    74  -0.07550 -1.0 2.0
   54    63    66    74   0.20000  1.0 3.0
   54    63    66    45   0.56750  1.0 1.0
   54    63    66    45  -0.07550 -1.0 2.0
   54    63    66    45   0.20000  1.0 3.0
   54    63    86    80  -0.25900  1.0 1.0
   54    63    86    80  -0.47000 -1.0 2.0
   54    63    86    80   0.11750  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    66   0.15000  1.0 3.0
   55    54    63    86   0.23400  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    66   0.15000  1.0 3.0
   56    54    63    86   0.23400  1.0 3.0
   63    66    74    75   0.15000  1.0 3.0
   63    66   -74    80  -0.95700  1.0 1.0
   63    66   -74    80  -0.18200 -1.0 2.0
   63    66   -74    80   0.29450  1.0 3.0
   63    66    74    82   0.56750  1.0 1.0
   63    66    74    82  -0.07550 -1.0 2.0
   63    66    74    82   0.20000  1.0 3.0
   63    66    45    42   0.56750  1.0 1.0
   63    66    45    42  -0.07550 -1.0 2.0
   63    66    45    42   0.20000  1.0 3.0
   63    66    45    46   0.15000  1.0 3.0
   63    66    45    53   0.62750  1.0 1.0
   63    66    45    53  -0.30950 -1.0 2.0
   63    66    45    53   0.27300  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    74   0.15000  1.0 3.0
   64    63    66    45   0.15000  1.0 3.0
   64    63    86    80   0.08050  1.0 3.0
   66    63   -86    80  -0.25900  1.0 1.0
   66    63   -86    80  -0.47000 -1.0 2.0
   66    63   -86    80   0.11750  1.0 3.0
   66    74    80    81   0.30150 -1.0 2.0
   66    74   -80    86   0.36750  1.0 3.0
   66    74    82    83   0.15000  1.0 3.0
   66    74    82    84   0.15000  1.0 3.0
   66    74    82    85   0.15000  1.0 3.0
   66    45    53    57  -0.25900  1.0 1.0
   66    45    53    57  -0.47000 -1.0 2.0
   66    45    53    57   0.11750  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    80  -0.11250  1.0 3.0
   67    66    74    82   0.15000  1.0 3.0
   67    66    45    42   0.15000  1.0 3.0
   67    66    45    46   0.15000  1.0 3.0
   67    66    45    53   0.23400  1.0 3.0
   74    66    45    42   0.56750  1.0 1.0
   74    66    45    42  -0.07550 -1.0 2.0
   74    66    45    42   0.20000  1.0 3.0
   74    66    45    46   0.15000  1.0 3.0
   74    66    45    53   0.62750  1.0 1.0
   74    66    45    53  -0.30950 -1.0 2.0
   74    66    45    53   0.27300  1.0 3.0
   74    80   -86    63   1.63150  1.0 1.0
   74    80   -86    63   2.92000 -1.0 2.0
   75    74    80    81   0.00000  1.0 1.0
   75    74    80    86   0.00000  1.0 1.0
   75    74    82    83   0.15000  1.0 3.0
   75    74    82    84   0.15000  1.0 3.0
   75    74    82    85   0.15000  1.0 3.0
   80    74    82    83  -0.11250  1.0 3.0
   80    74    82    84  -0.11250  1.0 3.0
   80    74    82    85  -0.11250  1.0 3.0
   81    80    86    63   3.00000 -1.0 2.0
   86    63    66    67   0.23400  1.0 3.0
   86    63   -66    74   0.62750  1.0 1.0
   86    63   -66    74  -0.30950 -1.0 2.0
   86    63   -66    74   0.27300  1.0 3.0
   86    63    66    45   0.62750  1.0 1.0
   86    63    66    45  -0.30950 -1.0 2.0
   86    63    66    45   0.27300  1.0 3.0
   82    74    80    81   0.30150 -1.0 2.0
   82    74    80    86   0.36750  1.0 3.0
   45    42    43    33   0.56750  1.0 1.0
   45    42    43    33  -0.07550 -1.0 2.0
   45    42    43    33   0.20000  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.56750  1.0 1.0
   45    42    43    51  -0.07550 -1.0 2.0
   45    42    43    51   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    66    74    75   0.15000  1.0 3.0
   45    66    74    80  -0.95700  1.0 1.0
   45    66    74    80  -0.18200 -1.0 2.0
   45    66    74    80   0.29450  1.0 3.0
   45    66    74    82   0.56750  1.0 1.0
   45    66    74    82  -0.07550 -1.0 2.0
   45    66    74    82   0.20000  1.0 3.0
   45    53    57    58   3.00000 -1.0 2.0
   45    53    57    65   2.00000 -1.0 2.0
   46    45    53    57   0.08050  1.0 3.0
   53    57    65    68  -0.56150  1.0 1.0
   53    57    65    68   2.19150 -1.0 2.0
   53    57    65    70  -0.15000  1.0 1.0
   53    57    65    70   0.89550 -1.0 2.0
   53    57    65    70  -0.06900  1.0 3.0
   57    65    68    69   7.00000 -1.0 2.0
   57    65    68    76   7.00000 -1.0 2.0
   57    65    70    71   0.15000  1.0 3.0
   57    65    70    72   0.15000  1.0 3.0
   57    65    70    73   0.15000  1.0 3.0
   58    57    65    68   1.00000 -1.0 2.0
   58    57    65    70  -0.64400  1.0 1.0
   58    57    65    70   0.26850 -1.0 2.0
   65    68    76    77   0.00000  1.0 1.0
   65    68    76    78   0.00000  1.0 1.0
   65    68    76    79   0.00000  1.0 1.0
   68    65    70    71   0.00000  1.0 1.0
   68    65    70    72   0.00000  1.0 1.0
   68    65    70    73   0.00000  1.0 1.0
   69    68    76    77   0.33100  1.0 3.0
   69    68    76    78   0.33100  1.0 3.0
   69    68    76    79   0.33100  1.0 3.0
   70    65    68    69   7.00000 -1.0 2.0
   70    65    68    76   7.00000 -1.0 2.0
   59    51    54    55   0.15000  1.0 3.0
   59    51    54    56   0.15000  1.0 3.0
   59    51    54    63   0.56750  1.0 1.0
   59    51    54    63  -0.07550 -1.0 2.0
   59    51    54    63   0.20000  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    66   0.56750  1.0 1.0
   47    42    45    66  -0.07550 -1.0 2.0
   47    42    45    66   0.20000  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    53   0.62750  1.0 1.0
   47    42    45    53  -0.30950 -1.0 2.0
   47    42    45    53   0.27300  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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   74    86    80    81  10.50000 -1.0 2.0
   53    65    57    58  10.50000 -1.0 2.0
   57    70    65    68  15.00000 -1.0 2.0
   76    69    68    65  15.00000 -1.0 2.0
END
