* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    148    226     430
    1     0 S   NP   _N1_     1    29.30459    97.84300   -18.50121
    2     1 S   H    _HN1     2     1.02779    74.52997   -78.84909
    3     1 S   H    _H1_     3     1.02959    77.85700    34.35350
    4     1 S   H    _H2_     4     1.02831    54.98508   155.46387
    5     1 S   CT   _CA1     5     1.50152   165.66951   160.88330
    6     5 S   HC   _HA1     6     1.09583   105.14617    54.32192
    7     5 S   CO3  _C1_     7     1.53742   112.44601   -65.61850
    8     7 S   O2Z  _O11     8     1.26331   115.06520   -41.22425
    9     7 S   O2Z  _O12     9     1.26223   114.89831   137.68893
   10     5 S   CT   _CB1    10     1.53064   107.36765   172.05722
   11    10 S   HC   HB11    11     1.09825   109.11434   -51.32012
   12    10 S   HC   HB12    12     1.09789   110.45892    65.09058
   13    10 S   CT   _CG1    13     1.53001   112.80949  -172.45070
   14    13 S   HC   HG11    14     1.09593   110.46084   -66.40514
   15    13 S   HC   HG12    15     1.09668   109.95142    52.74471
   16    13 S   C    _CD1    16     1.51890   112.35010   172.80895
   17    16 S   O    _OE1    17     1.22727   123.29490    -2.48884
   18    16 S   N    _N2_    18     1.38595   111.62011   178.16293
   19    18 S   H    _HN2    19     1.01606   118.90852    -0.09279
   20    18 S   CT1  _CA2    20     1.46310   123.58193   177.71827
   21    20 S   HC   _HA2    21     1.09740   109.37845    -6.62919
   22    20 S   C    _C2_    22     1.53467   108.38978  -121.94322
   23    22 S   O    _O2_    23     1.23039   122.41657  -148.58612
   24    20 S   CT   _CB2    32     1.53284   111.32687   115.60224
   25    24 S   HC   HB21    33     1.09599   109.76648    52.34267
   26    24 S   HC   HB22    34     1.09489   110.96479   171.54267
   27    22 S   N    _N3_    24     1.38388   113.51139    39.10912
   28    27 S   H    _HN3    25     1.01630   119.47764    -3.87959
   29    24 S   S    _SG2    35     1.82523   111.31761   -68.89815
   30    27 S   CT   _CA3    26     1.45285   123.14834   176.85204
   31    30 S   HC   HA31    27     1.09552   107.56005   -62.99795
   32    30 S   HC   HA32    28     1.09558   107.90772    53.40532
   33    29 S   CT   _C22    36     1.82055    98.80844   161.75690
   34    33 S   HC   _H20    37     1.09563   109.14667    63.59173
   35    33 S   HC   _H21    38     1.09511   109.47202   -52.56289
   36    30 S   CO3  _C3_    29     1.52938   114.13608   175.36599
   37    36 S   O2Z  _O31    30     1.26367   116.05683    -0.55001
   38    36 S   O2Z  _O32    31     1.26429   114.41249   179.50268
   39    33 S   CM   _C5_    39     1.51811   110.14971  -175.11653
   40    39 S   CMA  _C6_    40     1.36541   123.05066    88.81312
   41    40 S   OM   _O33    41     1.26836   125.34693   178.89624
   42    39 S   CT   _C4_    77     1.51446   113.38316   -92.86273
   43    42 S   HC   _H6_    78     1.09528   109.98225   -60.25785
   44    42 S   HC   _H7_    79     1.09507   110.21205    59.18752
   45    42 S   HC   _H8_    80     1.09385   113.60509   179.45607
   46    40 S   OS   _O34    42     1.41833   110.82070    -3.62952
   47    46 S   CT   _C7_    43     1.45096   118.72735   150.65857
   48    47 S   HC   _H3_    44     1.09702   111.42874    18.40078
   49    47 S   CM   _C8_    45     1.52831   104.14822   -96.89597
   50    49 S   HC   _H9_    46     1.09358   110.19081    44.57212
   51    47 S   CT   _C16    59     1.55656   105.50086   135.56785
   52    51 S   HC   _H5_    60     1.09602   108.51435    65.25306
   53    49 S   CM   _C9_    47     1.35376   135.71961  -135.25773
   54    51 S   CM   _C17    61     1.50023   113.85699   -54.40386
   55    53 S   CM   _C10    48     1.44582   123.45657    -5.57745
   56    54 S   CO4  _C19    62     1.46961   110.39373  -104.84763
   57    56 S   O    _O37    63     1.21764   127.28023   170.86914
   58    54 S   CM   _C18    65     1.33677   128.50611    79.70775
   59    58 S   HC   _H13    66     1.08442   120.77506    -2.41387
   60    58 S   HC   _H14    67     1.08471   121.88959   177.54417
   61    53 S   CT   _C21    73     1.54122   120.19143  -179.16819
   62    61 S   OM   _O39    74     1.32517   106.97701  -104.96735
   63    61 S   HC   _H18    75     1.10228   106.33454   127.27272
   64    61 S   HC   _H19    76     1.10296   106.58870    21.89073
   65    55 S   CM   _C11    49     1.33261   125.59135  -112.25117
   66    65 S   HC   _H10    50     1.07366   130.85573    -3.27758
   67    79 S   OS   _O38    64     1.44519   108.18474  -166.45411
   68    65 S   CO4  _C12    51     1.45655   101.21545   167.18423
   69    68 S   O    _O35    52     1.22087   123.48621   176.56806
   70    68 S   CT   _C13    53     1.51003   110.07308    -6.32211
   71    70 S   CT   _C14    54     1.54255   111.49990  -100.37794
   72    71 S   HC   _H11    55     1.09804   109.78813   -48.42885
   73    71 S   HC   _H12    56     1.09759   109.57029  -163.49732
   74    55 S   OS   _O36    68     1.38967   116.30566    62.85789
   75    70 S   CT   _C20    69     1.52087   110.90478   133.00971
   76    75 S   HC   _H15    70     1.09493   110.81110  -169.56455
   77    75 S   HC   _H16    71     1.09485   111.56424    69.03194
   78    75 S   HC   _H17    72     1.09631   111.00081   -51.42720
   79    71 S   CT   _C15    57     1.54651   114.43218    75.07228
   80    79 S   HC   _H4_    58     1.09312   110.44083   -52.26861
  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   6   5   4   3
  10   4   3   2   1   1   8  10   3   4   2   1   1   9  15   7
  13   4  15   7  10   9  12   8   3   4   1   1   5   2   1   1
   7   4   6  11   4  10   9   5   4   5   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    51    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    53    79    51    52    54  
   48    49    50    53    55    71    79    80    51    52    54    56    67    58    61  
   49    50    53    79    51    52    54  
   50    53    55    65    79    51    52    54    74    61    62    63    64  
   53    55    51    61  
   52    54    56    57    67    58    59    60    53    70    71    72    73    79    80  
   54    56    67    58    71    79    80  
   55    65    66    68    70    74    61    62    63    64  
   56    57    67    58    59    60    71    79    80  
   65    66    68    69    70    71    74    75    61    62    63    64  
   57    67    58    59    60    71    79    80  
   67    58    79  
   59    60    67    79  
   60  
    0  
   62    63    64    65    74  
   63    64  
   64  
    0  
   66    68    69    70    71    74    75  
   68    69    70    74  
   70    71    72    73    79    80  
   69    70    71    72    73    79    74    75    76    77    78  
   70    71    74    75  
   71    72    73    79    80    74    75    76    77    78  
   72    73    79    80    74    75    76    77    78  
   73    79    80    74    75  
   79    80    74    75  
   75    76    77    78    79  
   76    77    78    79  
   77    78  
   78  
    0  
   80  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   63   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   317.000  1.510
   47    51   268.000  1.529
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    55   380.000  1.444
   53    61   317.000  1.510
   55    65   549.000  1.340
   55    74   440.000  1.360
   65    66   340.000  1.080
   65    68   320.000  1.462
   68    69   570.000  1.229
   68    70   317.000  1.522
   70    71   268.000  1.529
   70    74   320.000  1.410
   70    75   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    51   268.000  1.529
   79    67   320.000  1.410
   51    52   340.000  1.090
   51    54   317.000  1.510
   54    56   320.000  1.462
   54    58   549.000  1.340
   56    57   570.000  1.229
   56    67   214.000  1.327
   58    59   340.000  1.080
   58    60   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   61    62   570.000  1.307
   61    63   340.000  1.090
   61    64   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    85.00000  110.90400
   46    47    51    50.00000  109.50000
   47    49    50    35.00000  117.00000
   47    49    53    70.00000  124.00000
   47    51    79    58.35000  112.70000
   47    51    52    37.50000  110.70000
   47    51    54    70.00000  112.02700
   49    47    48    35.00000  109.50000
   49    53    55    70.00000  123.01800
   49    53    61    70.00000  124.00000
   53    49    50    35.00000  120.00000
   53    55    65    70.00000  123.01800
   53    55    74    80.00000  120.01400
   53    61    62    85.00000  110.90400
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   55    65    66    35.00000  120.00000
   55    65    68    65.00000  118.96000
   55    74    70    90.00000  111.18400
   65    68    69    80.00000  123.72100
   65    68    70    65.00000  118.62400
   68    65    66    40.00000  117.72500
   68    70    71    63.00000  111.10000
   68    70    74    90.00000  108.74100
   68    70    75    63.00000  111.10000
   70    68    69    80.00000  120.40000
   70    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   70    71    79    58.35000  112.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    37.50000  110.70000
   71    79    80    37.50000  110.70000
   71    79    51    58.35000  112.70000
   71    79    67    50.00000  109.50000
   73    71    72    33.00000  107.80000
   79    71    72    37.50000  110.70000
   79    71    73    37.50000  110.70000
   79    51    52    37.50000  110.70000
   79    51    54    70.00000  112.02700
   79    67    56    83.00000  116.90000
   51    47    48    37.50000  110.70000
   51    47    49    70.00000  112.02700
   51    79    80    37.50000  110.70000
   51    54    56    65.00000  116.34900
   51    54    58    70.00000  124.00000
   54    51    52    35.00000  109.50000
   54    56    57    80.00000  123.72100
   54    56    67    90.00000  111.29400
   54    58    59    35.00000  120.00000
   54    58    60    35.00000  120.00000
   67    79    80    35.00000  109.50000
   67    79    51    50.00000  109.50000
   67    56    57    83.00000  123.40000
   58    54    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   74    55    65    80.00000  120.01400
   74    70    71    50.00000  109.50000
   75    70    71    58.35000  112.70000
   75    70    74    50.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   61    53    55    70.00000  124.00000
   63    61    62    45.00000  125.66300
   64    61    62    45.00000  125.66300
   64    61    63    33.00000  107.80000
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.48150  1.0 1.0
   40    46    47    49   0.09250 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    51  -0.46850  1.0 1.0
   40    46    47    51   0.09300 -1.0 2.0
   40    46    47    51  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.00000  1.0 1.0
   46    47    49    53   0.39000  1.0 1.0
   46    47    49    53  -0.05800 -1.0 2.0
   46    47    49    53  -0.55150  1.0 3.0
   46    47    51    79   0.62750  1.0 1.0
   46    47    51    79  -0.30950 -1.0 2.0
   46    47    51    79   0.27300  1.0 3.0
   46    47    51    52   0.23400  1.0 3.0
   46    47    51    54   0.61850  1.0 1.0
   46    47    51    54  -0.22750 -1.0 2.0
   46    47    51    54   0.15300  1.0 3.0
   47    49    53    55   7.00000 -1.0 2.0
   47    49    53    61   7.00000 -1.0 2.0
   47    51    54    56   0.09700  1.0 1.0
   47    51    54    56   0.15600 -1.0 2.0
   47    51    54    56  -0.50800  1.0 3.0
   47    51    54    58   0.09850  1.0 1.0
   47    51    54    58   0.15250 -1.0 2.0
   47    51    54    58  -0.50650  1.0 3.0
   48    47    49    50   0.33100  1.0 3.0
   48    47    49    53   0.00000  1.0 1.0
   48    47    51    79   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    54   0.15000  1.0 3.0
   49    47    51    79   0.34400  1.0 1.0
   49    47    51    79   0.09450 -1.0 2.0
   49    47    51    79   0.11100  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    54   0.31000  1.0 1.0
   49    47    51    54   0.14700 -1.0 2.0
   49    47    51    54   0.07550  1.0 3.0
   49    53    55    65   0.28850  1.0 1.0
   49    53    55    65   2.61350 -1.0 2.0
   49    53    55    65   0.78400  1.0 3.0
   49    53    55    74  -0.51250  1.0 1.0
   49    53    55    74   1.23350 -1.0 2.0
   49    53    61    62   0.39000  1.0 1.0
   49    53    61    62  -0.05800 -1.0 2.0
   49    53    61    62  -0.55150  1.0 3.0
   49    53    61    63   0.00000  1.0 1.0
   49    53    61    64   0.00000  1.0 1.0
   50    49    53    55   7.00000 -1.0 2.0
   50    49    53    61   7.00000 -1.0 2.0
   53    55    65    66   7.00000 -1.0 2.0
   53    55    65    68   7.00000 -1.0 2.0
   53    55    74    70  -2.26850  1.0 1.0
   53    55    74    70   3.39050 -1.0 2.0
   55    53    61    62   0.39000  1.0 1.0
   55    53    61    62  -0.05800 -1.0 2.0
   55    53    61    62  -0.55150  1.0 3.0
   55    53    61    63   0.00000  1.0 1.0
   55    53    61    64   0.00000  1.0 1.0
   55    65    68    69   1.00000 -1.0 2.0
   55    65   -68    70  -0.33500  1.0 1.0
   55    65   -68    70   1.06600 -1.0 2.0
   55    65   -68    70  -0.14000  1.0 3.0
   65    55   -74    70  -2.26850  1.0 1.0
   65    55   -74    70   3.39050 -1.0 2.0
   65    68    70    71   0.65300  1.0 1.0
   65    68    70    71  -0.03850 -1.0 2.0
   65    68    70    71   0.33900  1.0 3.0
   65    68   -70    74   0.65300  1.0 1.0
   65    68   -70    74  -0.03850 -1.0 2.0
   65    68   -70    74   0.33900  1.0 3.0
   65    68    70    75   0.65300  1.0 1.0
   65    68    70    75  -0.03850 -1.0 2.0
   65    68    70    75   0.33900  1.0 3.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.04550  1.0 1.0
   66    65    68    70   0.83000 -1.0 2.0
   66    65    68    70  -0.04000  1.0 3.0
   68    70    71    72  -0.11250  1.0 3.0
   68    70    71    73  -0.11250  1.0 3.0
   68    70    71    79  -0.95700  1.0 1.0
   68    70    71    79  -0.18200 -1.0 2.0
   68    70    71    79   0.29450  1.0 3.0
   68    70   -74    55  -0.48150  1.0 1.0
   68    70   -74    55   0.09250 -1.0 2.0
   68    70   -74    55  -0.12850  1.0 3.0
   68    70    75    76  -0.11250  1.0 3.0
   68    70    75    77  -0.11250  1.0 3.0
   68    70    75    78  -0.11250  1.0 3.0
   69    68    70    71   0.30150 -1.0 2.0
   69    68    70    74   0.30150 -1.0 2.0
   69    68    70    75   0.30150 -1.0 2.0
   70    71    79    80   0.15000  1.0 3.0
   70    71    79    51   0.56750  1.0 1.0
   70    71    79    51  -0.07550 -1.0 2.0
   70    71    79    51   0.20000  1.0 3.0
   70    71    79    67   0.62750  1.0 1.0
   70    71    79    67  -0.30950 -1.0 2.0
   70    71    79    67   0.27300  1.0 3.0
   71    70    74    55  -0.46850  1.0 1.0
   71    70    74    55   0.09300 -1.0 2.0
   71    70    74    55  -0.12850  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.15000  1.0 3.0
   71    79    51    47   0.56750  1.0 1.0
   71    79    51    47  -0.07550 -1.0 2.0
   71    79    51    47   0.20000  1.0 3.0
   71    79    51    52   0.15000  1.0 3.0
   71    79    51    54   0.34400  1.0 1.0
   71    79    51    54   0.09450 -1.0 2.0
   71    79    51    54   0.11100  1.0 3.0
   71    79    67    56  -0.25900  1.0 1.0
   71    79    67    56  -0.47000 -1.0 2.0
   71    79    67    56   0.11750  1.0 3.0
   72    71    79    80   0.15000  1.0 3.0
   72    71    79    51   0.15000  1.0 3.0
   72    71    79    67   0.23400  1.0 3.0
   73    71    79    80   0.15000  1.0 3.0
   73    71    79    51   0.15000  1.0 3.0
   73    71    79    67   0.23400  1.0 3.0
   79    51   -54    56   0.09700  1.0 1.0
   79    51   -54    56   0.15600 -1.0 2.0
   79    51   -54    56  -0.50800  1.0 3.0
   79    51    54    58   0.09850  1.0 1.0
   79    51    54    58   0.15250 -1.0 2.0
   79    51    54    58  -0.50650  1.0 3.0
   80    79    51    47   0.15000  1.0 3.0
   80    79    51    52   0.15000  1.0 3.0
   80    79    51    54   0.15000  1.0 3.0
   80    79    67    56   0.08050  1.0 3.0
   51    47    49    50   0.00000  1.0 1.0
   51    47    49    53   0.09850  1.0 1.0
   51    47    49    53   0.15250 -1.0 2.0
   51    47    49    53  -0.50650  1.0 3.0
   51    79   -67    56  -0.25900  1.0 1.0
   51    79   -67    56  -0.47000 -1.0 2.0
   51    79   -67    56   0.11750  1.0 3.0
   51    54    56    57  -0.64400  1.0 1.0
   51    54    56    57   0.26850 -1.0 2.0
   51    54   -56    67  -0.15000  1.0 1.0
   51    54   -56    67   0.89550 -1.0 2.0
   51    54   -56    67  -0.06900  1.0 3.0
   51    54    58    59   7.00000 -1.0 2.0
   51    54    58    60   7.00000 -1.0 2.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    58   0.00000  1.0 1.0
   54    56   -67    79   2.00000 -1.0 2.0
   56    54    58    59   7.00000 -1.0 2.0
   56    54    58    60   7.00000 -1.0 2.0
   57    56    67    79   3.00000 -1.0 2.0
   67    79    51    47   0.62750  1.0 1.0
   67    79    51    47  -0.30950 -1.0 2.0
   67    79    51    47   0.27300  1.0 3.0
   67    79    51    52   0.23400  1.0 3.0
   67    79   -51    54   0.61850  1.0 1.0
   67    79   -51    54  -0.22750 -1.0 2.0
   67    79   -51    54   0.15300  1.0 3.0
   58    54    56    57   1.00000 -1.0 2.0
   58    54    56    67  -0.56150  1.0 1.0
   58    54    56    67   2.19150 -1.0 2.0
   74    55    65    66   7.00000 -1.0 2.0
   74    55   -65    68   7.00000 -1.0 2.0
   74    70    71    72   0.23400  1.0 3.0
   74    70    71    73   0.23400  1.0 3.0
   74    70    71    79   0.62750  1.0 1.0
   74    70    71    79  -0.30950 -1.0 2.0
   74    70    71    79   0.27300  1.0 3.0
   74    70    75    76   0.23400  1.0 3.0
   74    70    75    77   0.23400  1.0 3.0
   74    70    75    78   0.23400  1.0 3.0
   75    70    71    72   0.15000  1.0 3.0
   75    70    71    73   0.15000  1.0 3.0
   75    70    71    79   0.56750  1.0 1.0
   75    70    71    79  -0.07550 -1.0 2.0
   75    70    71    79   0.20000  1.0 3.0
   75    70    74    55  -0.46850  1.0 1.0
   75    70    74    55   0.09300 -1.0 2.0
   75    70    74    55  -0.12850  1.0 3.0
   61    53    55    65  -0.18600  1.0 3.0
   61    53    55    74   1.08500 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   47    50    49    53   1.10000 -1.0 2.0
   55    61    53    49   1.10000 -1.0 2.0
   53    74    55    65   1.10000 -1.0 2.0
   68    66    65    55   1.10000 -1.0 2.0
   65    70    68    69  10.50000 -1.0 2.0
   51    56    54    58   1.10000 -1.0 2.0
   54    67    56    57  10.50000 -1.0 2.0
   59    60    58    54   1.10000 -1.0 2.0
END
