* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    157    238     464
    1     0 S   NP   _N1_     1    28.80138    95.13406   -21.35835
    2     1 S   H    _HN1     2     1.02962    88.58576    21.45857
    3     1 S   H    _H1_     3     1.02839    34.24837   145.28652
    4     1 S   H    _H2_     4     1.02775    87.47174   -86.97400
    5     1 S   CT   _CA1     5     1.50094   144.96506   146.32099
    6     5 S   HC   _HA1     6     1.09562   105.31009    58.63018
    7     5 S   CO3  _C1_     7     1.53836   112.34929   -61.83319
    8     7 S   O2Z  _O11     8     1.26369   114.94175   -43.47453
    9     7 S   O2Z  _O12     9     1.26213   114.91846   135.84270
   10     5 S   CT   _CB1    10     1.53092   107.47659   176.79338
   11    10 S   HC   HB11    11     1.09821   109.63413   -49.16588
   12    10 S   HC   HB12    12     1.09826   110.27183    67.46106
   13    10 S   CT   _CG1    13     1.52998   112.57922  -170.19604
   14    13 S   HC   HG11    14     1.09602   110.45391   -59.29521
   15    13 S   HC   HG12    15     1.09631   110.06520    59.96069
   16    13 S   C    _CD1    16     1.51766   112.25653  -179.42597
   17    16 S   O    _OE1    17     1.22714   123.29266    -4.37842
   18    16 S   N    _N2_    18     1.38614   111.56912   175.27652
   19    18 S   H    _HN2    19     1.01585   119.03310     3.02653
   20    18 S   CT1  _CA2    20     1.46243   123.37461  -175.73607
   21    20 S   HC   _HA2    21     1.09722   109.43698   -10.64647
   22    20 S   C    _C2_    22     1.53348   108.57642  -126.61927
   23    22 S   O    _O2_    23     1.23016   122.18309  -146.04640
   24    20 S   CT   _CB2    32     1.53450   111.01453   111.19849
   25    24 S   HC   HB21    33     1.09604   109.52163    56.82184
   26    24 S   HC   HB22    34     1.09501   110.76147   175.64504
   27    22 S   N    _N3_    24     1.38487   113.39358    41.31415
   28    27 S   H    _HN3    25     1.01527   118.91452    -0.64041
   29    24 S   S    _SG2    35     1.82827   111.57283   -64.36891
   30    27 S   CT   _CA3    26     1.45455   123.48715   175.12597
   31    30 S   HC   HA31    27     1.09520   109.29339    23.31463
   32    30 S   HC   HA32    28     1.09497   107.10954   140.32586
   33    29 S   CT   _C11    36     1.82017    99.48895   154.69588
   34    33 S   HC   _H5_    37     1.09625   108.64066   -51.60900
   35    30 S   CO3  _C3_    29     1.52920   113.06922  -100.20178
   36    35 S   O2Z  _O31    30     1.26405   115.38396   -44.96945
   37    35 S   O2Z  _O32    31     1.26352   114.99676   135.95565
   38    33 S   CT   _C12    38     1.52774   112.29358    69.33638
   39    38 S   HC   _H15    39     1.09466   113.11433    40.49501
   40    38 S   HC   _H16    40     1.09297   112.01250   -85.72294
   41    38 S   CO4  _C13    41     1.50846   101.56331   156.27333
   42    41 S   O    _O33    42     1.22485   123.05438   167.88748
   43    41 S   CT   _C9_    43     1.52226   112.32873   -12.07542
   44    43 S   HC   _H3_    44     1.09565   106.94145   101.48980
   45    33 S   CT   _C10    45     1.54036   112.85574  -173.68702
   46    45 S   HC   _H4_    46     1.10145   108.73360   -51.96639
   47    43 S   CT   _C8_    71     1.52906   113.12987  -135.10735
   48    47 S   HC   _H13    72     1.09486   110.72700   157.05031
   49    47 S   HC   _H14    73     1.09763   110.43956    40.43201
   50    45 S   CT   _C14    47     1.54158   115.72084    68.34614
   51    50 S   HC   _H17    48     1.09735   108.75442   -68.50104
   52    50 S   HC   _H18    49     1.09664   108.71939   176.99326
   53    47 S   CM   _C7_    74     1.50350   112.14354   -80.08979
   54    53 S   HC   _H12    75     1.08856   115.87982    85.97333
   55    50 S   CT   _C15    50     1.53221   115.99763    53.95874
   56    55 S   HC   _H19    51     1.09547   110.07861   -63.29644
   57    55 S   HC   _H20    52     1.09468   110.39506    55.20102
   58    53 S   CM   _C6_    76     1.34221   126.50581   -95.21248
   59    58 S   HC   _H11    77     1.08873   117.46577  -178.79927
   60    55 S   CT   _C16    53     1.53187   111.08871   176.05618
   61    60 S   HC   _H21    54     1.09666   109.67302    58.50104
   62    60 S   HC   _H22    55     1.09685   109.45664   -58.86209
   63    58 S   CT   _C5_    78     1.50089   126.86174     2.97572
   64    63 S   HC   _H9_    79     1.09465   111.91301    12.87520
   65    63 S   HC   _H10    80     1.09638   108.39434   129.59645
   66    60 S   CT   _C17    56     1.52979   111.27563   179.92087
   67    66 S   HC   _H23    57     1.09680   109.52825   -60.76743
   68    66 S   HC   _H24    58     1.09685   109.55352    56.48719
   69    63 S   CT   _C4_    81     1.52010   111.40950  -110.05582
   70    69 S   HC   _H6_    82     1.09529   111.28587   -58.77542
   71    69 S   HC   _H7_    83     1.09528   111.13315    61.85007
   72    69 S   HC   _H8_    84     1.09472   110.18881  -178.48483
   73    66 S   CT   _C18    59     1.52956   111.41820   177.72540
   74    73 S   HC   _H25    60     1.09684   109.50751   -58.48190
   75    73 S   HC   _H26    61     1.09614   109.68032    58.76215
   76    73 S   CT   _C19    62     1.52985   111.33051  -179.72446
   77    76 S   HC   _H27    63     1.09703   109.60418   -58.54709
   78    76 S   HC   _H28    64     1.09701   109.47085    58.39680
   79    76 S   CT   _C20    65     1.52548   111.42802   179.92338
   80    79 S   HC   _H29    66     1.09717   109.44565   -57.53222
   81    79 S   HC   _H30    67     1.09717   109.39800    59.73598
   82    79 S   CO3  _C21    68     1.53224   115.33071  -178.77699
   83    82 S   O2Z  _O35    69     1.26552   114.03981  -179.17671
   84    82 S   O2Z  _O34    70     1.26142   116.72432     0.99524
  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  10   5   4  10   4  13   7  12   5   8   4
   3   9   5   4   7   3   9   5   4   8   4   9   5   4   6   5
   4   9   5   4   3   2   1   1   9   5   4   8   5   4   5   4
   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    45    46    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    50    51    52    55    47  
   38    39    40    41    43    45    46    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    50    47  
   40    41    42    43    45  
   41    42    43    45  
   42    43    44    45    46    50    47    48    49    53  
   43    44    45    47  
   44    45    46    50    51    52    55    47    48    49    53    54    58  
   45    46    50    47    48    49    53  
   46    50    51    52    55    56    57    60    47    48    49    53  
   50    51    52    55    47  
   48    49    53    54    58    59    63    50  
   49    53    54    58  
   53    54    58  
   51    52    55    56    57    60    61    62    66  
   52    55    56    57    60  
   55    56    57    60  
   54    58    59    63    64    65    69  
   58    59    63  
   56    57    60    61    62    66    67    68    73  
   57    60    61    62    66  
   60    61    62    66  
   59    63    64    65    69    70    71    72  
   63    64    65    69  
   61    62    66    67    68    73    74    75    76  
   62    66    67    68    73  
   66    67    68    73  
   64    65    69    70    71    72  
   65    69    70    71    72  
   69    70    71    72  
   67    68    73    74    75    76    77    78    79  
   68    73    74    75    76  
   73    74    75    76  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    45   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   317.000  1.522
   82    83   656.000  1.250
   82    84   656.000  1.250
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   317.000  1.510
   53    54   340.000  1.080
   53    58   549.000  1.340
   58    59   340.000  1.080
   58    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    45    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    45    43    58.35000  112.70000
   33    45    46    37.50000  110.70000
   33    45    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    63.00000  111.10000
   41    43    47    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    45    46    37.50000  110.70000
   43    45    50    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    53    70.00000  112.02700
   45    33    34    37.50000  110.70000
   45    33    38    58.35000  112.70000
   45    43    44    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    55    58.35000  112.70000
   50    45    46    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    66    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    73    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    58.35000  112.70000
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    70.00000  109.69300
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    70.00000  117.00000
   79    82    84    70.00000  117.00000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   84    82    83    80.00000  126.00000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    53    54    35.00000  117.00000
   47    53    58    70.00000  124.00000
   49    47    48    33.00000  107.80000
   53    47    48    35.00000  109.50000
   53    47    49    35.00000  109.50000
   53    58    59    35.00000  120.00000
   53    58    63    70.00000  124.00000
   58    53    54    35.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    69    70.00000  112.02700
   63    58    59    35.00000  117.00000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    72    37.50000  110.70000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    45    43   0.44750  1.0 1.0
   29    33    45    43  -0.17800 -1.0 2.0
   29    33    45    43   0.20200  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    50   0.44750  1.0 1.0
   29    33    45    50  -0.17800 -1.0 2.0
   29    33    45    50   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    45    50    51   0.15000  1.0 3.0
   33    45    50    52   0.15000  1.0 3.0
   33    45    50    55   0.56750  1.0 1.0
   33    45    50    55  -0.07550 -1.0 2.0
   33    45    50    55   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    45    43   0.15000  1.0 3.0
   34    33    45    46   0.15000  1.0 3.0
   34    33    45    50   0.15000  1.0 3.0
   38    33   -45    43   0.56750  1.0 1.0
   38    33   -45    43  -0.07550 -1.0 2.0
   38    33   -45    43   0.20000  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    33    45    50   0.56750  1.0 1.0
   38    33    45    50  -0.07550 -1.0 2.0
   38    33    45    50   0.20000  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41   -43    45   0.60050  1.0 1.0
   38    41   -43    45   0.05600 -1.0 2.0
   38    41   -43    45   0.26150  1.0 3.0
   38    41    43    47   0.60050  1.0 1.0
   38    41    43    47   0.05600 -1.0 2.0
   38    41    43    47   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -45    33  -0.95700  1.0 1.0
   41    43   -45    33  -0.18200 -1.0 2.0
   41    43   -45    33   0.29450  1.0 3.0
   41    43    45    46  -0.11250  1.0 3.0
   41    43    45    50  -0.95700  1.0 1.0
   41    43    45    50  -0.18200 -1.0 2.0
   41    43    45    50   0.29450  1.0 3.0
   41    43    47    48  -0.11250  1.0 3.0
   41    43    47    49  -0.11250  1.0 3.0
   41    43    47    53  -0.98800  1.0 1.0
   41    43    47    53   0.48800 -1.0 2.0
   41    43    47    53   0.76800  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.30150 -1.0 2.0
   42    41    43    47   0.30150 -1.0 2.0
   43    45    50    51   0.15000  1.0 3.0
   43    45    50    52   0.15000  1.0 3.0
   43    45    50    55   0.56750  1.0 1.0
   43    45    50    55  -0.07550 -1.0 2.0
   43    45    50    55   0.20000  1.0 3.0
   43    47    53    54   0.00000  1.0 1.0
   43    47    53    58   0.09850  1.0 1.0
   43    47    53    58   0.15250 -1.0 2.0
   43    47    53    58  -0.50650  1.0 3.0
   44    43    45    33   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   45    33    38    39   0.15000  1.0 3.0
   45    33    38    40   0.15000  1.0 3.0
   45    33   -38    41  -0.95700  1.0 1.0
   45    33   -38    41  -0.18200 -1.0 2.0
   45    33   -38    41   0.29450  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    53   0.34400  1.0 1.0
   45    43    47    53   0.09450 -1.0 2.0
   45    43    47    53   0.11100  1.0 3.0
   45    50    55    56   0.15000  1.0 3.0
   45    50    55    57   0.15000  1.0 3.0
   45    50    55    60   0.56750  1.0 1.0
   45    50    55    60  -0.07550 -1.0 2.0
   45    50    55    60   0.20000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    55   0.15000  1.0 3.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    66   0.56750  1.0 1.0
   50    55    60    66  -0.07550 -1.0 2.0
   50    55    60    66   0.20000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    60   0.15000  1.0 3.0
   55    60    66    67   0.15000  1.0 3.0
   55    60    66    68   0.15000  1.0 3.0
   55    60    66    73   0.56750  1.0 1.0
   55    60    66    73  -0.07550 -1.0 2.0
   55    60    66    73   0.20000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    66   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    66   0.15000  1.0 3.0
   60    66    73    74   0.15000  1.0 3.0
   60    66    73    75   0.15000  1.0 3.0
   60    66    73    76   0.56750  1.0 1.0
   60    66    73    76  -0.07550 -1.0 2.0
   60    66    73    76   0.20000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    73   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    73   0.15000  1.0 3.0
   66    73    76    77   0.15000  1.0 3.0
   66    73    76    78   0.15000  1.0 3.0
   66    73    76    79   0.56750  1.0 1.0
   66    73    76    79  -0.07550 -1.0 2.0
   66    73    76    79   0.20000  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.15000  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   68    66    73    76   0.15000  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82  -1.63150  1.0 1.0
   73    76    79    82  -0.43550 -1.0 2.0
   73    76    79    82   0.24500  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.41150 -1.0 2.0
   76    79    82    84   0.41150 -1.0 2.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82  -0.11250  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82  -0.11250  1.0 3.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   81    79    82    84   0.00000  1.0 1.0
   47    43    45    33   0.56750  1.0 1.0
   47    43    45    33  -0.07550 -1.0 2.0
   47    43    45    33   0.20000  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    50   0.56750  1.0 1.0
   47    43    45    50  -0.07550 -1.0 2.0
   47    43    45    50   0.20000  1.0 3.0
   47    53    58    59   7.00000 -1.0 2.0
   47    53    58    63   7.00000 -1.0 2.0
   48    47    53    54   0.33100  1.0 3.0
   48    47    53    58   0.00000  1.0 1.0
   49    47    53    54   0.33100  1.0 3.0
   49    47    53    58   0.00000  1.0 1.0
   53    58    63    64   0.00000  1.0 1.0
   53    58    63    65   0.00000  1.0 1.0
   53    58    63    69   0.09850  1.0 1.0
   53    58    63    69   0.15250 -1.0 2.0
   53    58    63    69  -0.50650  1.0 3.0
   54    53    58    59   7.00000 -1.0 2.0
   54    53    58    63   7.00000 -1.0 2.0
   58    63    69    70   0.15000  1.0 3.0
   58    63    69    71   0.15000  1.0 3.0
   58    63    69    72   0.15000  1.0 3.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    65   0.33100  1.0 3.0
   59    58    63    69   0.00000  1.0 1.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    72   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    72   0.15000  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    43    41    42  10.50000 -1.0 2.0
   83    79    82    84  10.50000 -1.0 2.0
   47    54    53    58  15.00000 -1.0 2.0
   63    59    58    53  15.00000 -1.0 2.0
END
