* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    160    241     470
    1     0 S   NP   _N1_     1    29.34446    92.36003   -26.74665
    2     1 S   H    _HN1     2     1.02826    11.82835  -122.74162
    3     1 S   H    _H1_     3     1.02794   119.63341  -115.59276
    4     1 S   H    _H2_     4     1.02947   100.42077     2.66484
    5     1 S   CT   _CA1     5     1.50128   105.12083   117.30879
    6     5 S   HC   _HA1     6     1.09574   105.15062    70.24201
    7     5 S   CO3  _C1_     7     1.53765   112.48307   -49.94206
    8     7 S   O2Z  _O11     8     1.26377   115.00216   -42.05353
    9     7 S   O2Z  _O12     9     1.26238   114.93933   136.93297
   10     5 S   CT   _CB1    10     1.53055   107.39879  -171.79891
   11    10 S   HC   HB11    11     1.09842   109.30336   -49.36444
   12    10 S   HC   HB12    12     1.09810   110.48406    67.22345
   13    10 S   CT   _CG1    13     1.53023   112.65444  -170.30166
   14    13 S   HC   HG11    14     1.09567   110.74041   -67.91281
   15    13 S   HC   HG12    15     1.09670   109.68663    51.33825
   16    13 S   C    _CD1    16     1.51816   111.95837   171.81026
   17    16 S   O    _OE1    17     1.22759   123.16528    13.09397
   18    16 S   N    _N2_    18     1.38652   111.85445  -166.87842
   19    18 S   H    _HN2    19     1.01568   118.98491     0.93482
   20    18 S   CT1  _CA2    20     1.46222   123.35667   176.17915
   21    20 S   HC   _HA2    21     1.09743   109.28233     7.78104
   22    20 S   C    _C2_    22     1.53723   108.79360  -107.67219
   23    22 S   O    _O2_    23     1.23086   122.23997  -148.65802
   24    20 S   CT   _CB2    32     1.53505   111.76658   129.80787
   25    24 S   HC   HB21    33     1.09517   109.58160    56.37056
   26    24 S   HC   HB22    34     1.09290   109.48805   175.17290
   27    22 S   N    _N3_    24     1.38309   113.87576    38.81384
   28    27 S   H    _HN3    25     1.01539   119.61150    -3.08540
   29    24 S   S    _SG2    35     1.82887   111.20991   -64.14106
   30    27 S   CT   _CA3    26     1.45282   123.31660   177.26978
   31    30 S   HC   HA31    27     1.09546   107.49763   -65.25368
   32    30 S   HC   HA32    28     1.09554   108.02058    51.21634
   33    29 S   CT   _C11    36     1.88892   102.65806  -171.39915
   34    30 S   CO3  _C3_    29     1.52986   114.01881   173.22451
   35    34 S   O2Z  _O31    30     1.26388   116.07368    -0.58081
   36    34 S   O2Z  _O32    31     1.26425   114.41817   179.48036
   37    33 S   CT   _C10    37     1.57444   105.96286    74.96022
   38    37 S   HC   _H15    38     1.09315   109.48953    53.87259
   39    37 S   HC   _H16    39     1.09735   109.01412   -60.18650
   40    33 S   CT   _C12    58     1.60749   110.36311  -164.05253
   41    40 S   OM   _O38    59     1.32821   110.41450    61.58696
   42    40 S   HC   _H4_    60     1.09320   104.74155  -172.98622
   43    33 S   CT   _C23    84     1.54920   110.17265   -42.46859
   44    43 S   HC   _H26    85     1.09578   112.22903   -50.51513
   45    43 S   HC   _H27    86     1.09614   110.98001  -170.35494
   46    43 S   HC   _H28    87     1.09539   112.00626    70.88142
   47    37 S   CT   _C9_    40     1.54565   115.01896   178.81271
   48    47 S   HC   _H3_    41     1.09112   110.40692   -11.41078
   49    47 S   CT   _C18    42     1.54176   115.36021  -133.28968
   50    49 S   HC   _H7_    43     1.10107   107.33657  -178.05761
   51    47 S   OS   _O34    70     1.45289   107.17343   104.57343
   52    49 S   CM   _C19    44     1.49454   121.07692   -57.80493
   53    51 S   CO4  _C8_    71     1.35844   117.96863  -150.70950
   54    53 S   O    _O33    72     1.22109   127.03929    -1.56573
   55    52 S   CO4  _C21    45     1.48508   106.88036   157.85372
   56    55 S   O    _O35    46     1.21716   127.17271   165.29973
   57    52 S   CM   _C20    67     1.33493   131.54752   -20.33333
   58    57 S   HC   _H20    68     1.08368   121.55752    -0.93712
   59    57 S   HC   _H21    69     1.08542   121.47097   178.95171
   60    53 S   CM   _C6_    73     1.48402   108.52404   178.88618
   61    55 S   OS   _O36    47     1.36886   106.74513   -13.16732
   62    60 S   CM   _C5_    74     1.34464   120.38195  -133.62070
   63    62 S   HC   _H11    75     1.08918   117.84436  -177.77156
   64    60 S   CT   _C7_    80     1.49949   116.95672    48.58379
   65    64 S   HC   _H12    81     1.09475   110.65384   -71.34703
   66    64 S   HC   _H13    82     1.09515   110.45211    48.88581
   67    64 S   HC   _H14    83     1.09520   111.93694   168.53063
   68    49 S   CT   _C17    48     1.53030   115.40319    60.06989
   69    68 S   HC   _H6_    49     1.08850   113.07096   -56.49172
   70    62 S   CT   _C4_    76     1.49595   128.11751     4.01674
   71    70 S   HC   _H8_    77     1.09403   109.96345  -109.69816
   72    70 S   HC   _H9_    78     1.09502   109.34860   131.77239
   73    70 S   HC   _H10    79     1.09255   113.50413    12.37331
   74    68 S   CM   _C16    50     1.49835   114.09172    71.77765
   75    74 S   HC   _H19    51     1.09038   113.37311    60.07885
   76    74 S   CM   _C15    52     1.35074   129.17926  -121.17613
   77    76 S   CT   _C14    53     1.52405   128.63122     0.71792
   78    77 S   HC   _H5_    54     1.09806   107.83285   166.16703
   79    76 S   CT   _C22    63     1.51264   118.32467  -177.74059
   80    79 S   HC   _H22    64     1.09514   110.19895   120.99513
   81    79 S   HC   _H23    65     1.09513   112.74645     0.91236
   82    79 S   HC   _H24    66     1.09517   110.13998  -119.14124
   83    77 S   CT   _C13    55     1.54707   120.27512    44.20902
   84    83 S   HC   _H17    56     1.10280   107.36706   177.75441
   85    83 S   HC   _H18    57     1.08913   108.92662   -72.62535
   86    77 S   OH   _O37    61     1.43192   106.95588   -80.39482
   87    86 S   HO   _H25    62     0.97230   107.28649  -173.96493
  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  13   5   4   3
  18   2   1   1  18   7   6  14   6   5   5   2   1   1  14   6
  15   8   7   9   9   3   8   3   4   1   1  10   5   9   5   4
   2   1   1   6   3   3   2   1   1  10   3  11  10   6   5   2
   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    83    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    77    83    84    85    40    41    42    51    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    52    68    83    40    41    42    51    53    43    44    45    46  
   39    47    48    49    40    51    43  
   47    48    49    40    51    43  
   41    42    86    43    44    45    46    47    76    77    78    83    84    85  
   42    43    77    83    84    85  
   43    77    83    84    85  
   44    45    46    47    83  
   45    46  
   46  
    0  
   48    49    50    52    55    61    68    69    74    57    51    53    54    60  
   49    50    52    68    51    53  
   50    52    55    56    61    68    69    74    75    76    57    58    59    51    53  
   52    55    61    68    69    74    57    51  
   53    54    60    62    64    52    68  
   55    56    61    68    69    74    57    58    59  
   54    60    62    63    70    64    65    66    67  
   60    62    64  
   56    61    68    69    74    57    58    59  
   61    68    57  
   58    59    61    68  
   59  
    0  
   62    63    70    71    72    73    64    65    66    67  
   68    69    74    75    76  
   63    70    71    72    73    64    65    66    67  
   70    71    72    73    64  
   65    66    67    70  
   66    67  
   67  
    0  
   69    74    75    76    77    79  
   74    75    76  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    83    86    79    80    81    82  
   76    77    79  
   77    78    83    84    85    86    87    79    80    81    82  
   78    83    84    85    86    87    79    80    81    82  
   83    84    85    86    87    79  
   80    81    82    83    86  
   81    82  
   82  
    0  
   84    85    86    87  
   85    86  
   86  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   320.000  1.410
   49    50   340.000  1.090
   49    52   317.000  1.510
   49    68   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    61   214.000  1.327
   61    68   320.000  1.410
   68    69   340.000  1.090
   68    74   317.000  1.510
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   317.000  1.510
   76    79   317.000  1.510
   77    78   340.000  1.090
   77    83   268.000  1.529
   77    86   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   86    87   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   57    58   340.000  1.080
   57    59   340.000  1.080
   51    53   214.000  1.327
   53    54   570.000  1.229
   53    60   320.000  1.462
   60    62   549.000  1.340
   60    64   317.000  1.510
   62    63   340.000  1.080
   62    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    83    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    58.35000  112.70000
   37    47    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    52    70.00000  112.02700
   47    49    68    58.35000  112.70000
   47    51    53    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    52    55    65.00000  116.34900
   49    52    57    70.00000  124.00000
   49    68    61    50.00000  109.50000
   49    68    69    37.50000  110.70000
   49    68    74    70.00000  112.02700
   52    49    50    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    61    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   55    61    68    83.00000  116.90000
   61    55    56    83.00000  123.40000
   61    68    69    35.00000  109.50000
   61    68    74    85.00000  110.90400
   68    49    50    37.50000  110.70000
   68    49    52    70.00000  112.02700
   68    74    75    35.00000  117.00000
   68    74    76    70.00000  124.00000
   74    68    69    35.00000  109.50000
   74    76    77    70.00000  124.00000
   74    76    79    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    83    70.00000  112.02700
   76    77    86    90.00000  110.39200
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    40    58.35000  112.70000
   77    86    87    55.00000  108.50000
   83    77    78    37.50000  110.70000
   83    40    41    50.00000  109.50000
   83    40    42    37.50000  110.70000
   85    83    84    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    83    84    37.50000  110.70000
   40    83    85    37.50000  110.70000
   42    40    41    45.00000  125.66300
   86    77    78    35.00000  109.50000
   86    77    83    50.00000  109.50000
   79    76    77    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   51    47    48    35.00000  109.50000
   51    47    49    50.00000  109.50000
   51    53    54    83.00000  123.40000
   51    53    60    90.00000  111.29400
   53    60    62    65.00000  118.96000
   53    60    64    65.00000  116.34900
   60    53    54    80.00000  123.72100
   60    62    63    35.00000  120.00000
   60    62    70    70.00000  124.00000
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    67    35.00000  109.50000
   62    70    71    35.00000  109.50000
   62    70    72    35.00000  109.50000
   62    70    73    35.00000  109.50000
   70    62    63    35.00000  117.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   64    60    62    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    83   0.44750  1.0 1.0
   29    33    40    83  -0.17800 -1.0 2.0
   29    33    40    83   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.56750  1.0 1.0
   33    37    47    49  -0.07550 -1.0 2.0
   33    37    47    49   0.20000  1.0 3.0
   33    37    47    51   0.62750  1.0 1.0
   33    37    47    51  -0.30950 -1.0 2.0
   33    37    47    51   0.27300  1.0 3.0
   37    33    40    83   0.56750  1.0 1.0
   37    33    40    83  -0.07550 -1.0 2.0
   37    33    40    83   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.15000  1.0 3.0
   37    47    49    52   0.34400  1.0 1.0
   37    47    49    52   0.09450 -1.0 2.0
   37    47    49    52   0.11100  1.0 3.0
   37    47    49    68   0.56750  1.0 1.0
   37    47    49    68  -0.07550 -1.0 2.0
   37    47    49    68   0.20000  1.0 3.0
   37    47    51    53  -0.25900  1.0 1.0
   37    47    51    53  -0.47000 -1.0 2.0
   37    47    51    53   0.11750  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    51   0.23400  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    51   0.23400  1.0 3.0
   47    49    52    55   0.09700  1.0 1.0
   47    49    52    55   0.15600 -1.0 2.0
   47    49    52    55  -0.50800  1.0 3.0
   47    49    52    57   0.09850  1.0 1.0
   47    49    52    57   0.15250 -1.0 2.0
   47    49    52    57  -0.50650  1.0 3.0
   47    49    68    61   0.62750  1.0 1.0
   47    49    68    61  -0.30950 -1.0 2.0
   47    49    68    61   0.27300  1.0 3.0
   47    49    68    69   0.15000  1.0 3.0
   47    49    68    74   0.34400  1.0 1.0
   47    49    68    74   0.09450 -1.0 2.0
   47    49    68    74   0.11100  1.0 3.0
   47    51    53    54   3.00000 -1.0 2.0
   47    51    53    60   2.00000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    49    68   0.15000  1.0 3.0
   48    47    51    53   0.08050  1.0 3.0
   49    47    51    53  -0.25900  1.0 1.0
   49    47    51    53  -0.47000 -1.0 2.0
   49    47    51    53   0.11750  1.0 3.0
   49    52    55    56  -0.64400  1.0 1.0
   49    52    55    56   0.26850 -1.0 2.0
   49    52   -55    61  -0.15000  1.0 1.0
   49    52   -55    61   0.89550 -1.0 2.0
   49    52   -55    61  -0.06900  1.0 3.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    59   7.00000 -1.0 2.0
   49    68    74    75   0.00000  1.0 1.0
   49    68    74    76   0.09850  1.0 1.0
   49    68    74    76   0.15250 -1.0 2.0
   49    68    74    76  -0.50650  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   50    49    52    57   0.00000  1.0 1.0
   50    49    68    61   0.23400  1.0 3.0
   50    49    68    69   0.15000  1.0 3.0
   50    49    68    74   0.15000  1.0 3.0
   52    49   -68    61   0.61850  1.0 1.0
   52    49   -68    61  -0.22750 -1.0 2.0
   52    49   -68    61   0.15300  1.0 3.0
   52    49    68    69   0.15000  1.0 3.0
   52    49    68    74   0.31000  1.0 1.0
   52    49    68    74   0.14700 -1.0 2.0
   52    49    68    74   0.07550  1.0 3.0
   52    55   -61    68   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   55    61   -68    49  -0.25900  1.0 1.0
   55    61   -68    49  -0.47000 -1.0 2.0
   55    61   -68    49   0.11750  1.0 3.0
   55    61    68    69   0.08050  1.0 3.0
   55    61    68    74  -0.82050  1.0 1.0
   55    61    68    74   0.00600 -1.0 2.0
   55    61    68    74   0.04400  1.0 3.0
   56    55    61    68   3.00000 -1.0 2.0
   61    68    74    75   0.00000  1.0 1.0
   61    68    74    76   0.39000  1.0 1.0
   61    68    74    76  -0.05800 -1.0 2.0
   61    68    74    76  -0.55150  1.0 3.0
   68    49   -52    55   0.09700  1.0 1.0
   68    49   -52    55   0.15600 -1.0 2.0
   68    49   -52    55  -0.50800  1.0 3.0
   68    49    52    57   0.09850  1.0 1.0
   68    49    52    57   0.15250 -1.0 2.0
   68    49    52    57  -0.50650  1.0 3.0
   68    74    76    77   7.00000 -1.0 2.0
   68    74    76    79   7.00000 -1.0 2.0
   69    68    74    75   0.33100  1.0 3.0
   69    68    74    76   0.00000  1.0 1.0
   74    76    77    78   0.00000  1.0 1.0
   74    76    77    83   0.09850  1.0 1.0
   74    76    77    83   0.15250 -1.0 2.0
   74    76    77    83  -0.50650  1.0 3.0
   74    76    77    86   0.67800  1.0 1.0
   74    76    77    86   0.47050 -1.0 2.0
   74    76    77    86  -0.62500  1.0 3.0
   74    76    79    80   0.00000  1.0 1.0
   74    76    79    81   0.00000  1.0 1.0
   74    76    79    82   0.00000  1.0 1.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    79   7.00000 -1.0 2.0
   76    77    83    84   0.15000  1.0 3.0
   76    77    83    85   0.15000  1.0 3.0
   76    77    83    40   0.34400  1.0 1.0
   76    77    83    40   0.09450 -1.0 2.0
   76    77    83    40   0.11100  1.0 3.0
   76    77    86    87  -0.07800  1.0 1.0
   76    77    86    87  -0.21500 -1.0 2.0
   76    77    86    87  -0.03150  1.0 3.0
   77    76    79    80   0.34800  1.0 3.0
   77    76    79    81   0.34800  1.0 3.0
   77    76    79    82   0.34800  1.0 3.0
   77    83    40    33   0.56750  1.0 1.0
   77    83    40    33  -0.07550 -1.0 2.0
   77    83    40    33   0.20000  1.0 3.0
   77    83    40    41   0.62750  1.0 1.0
   77    83    40    41  -0.30950 -1.0 2.0
   77    83    40    41   0.27300  1.0 3.0
   77    83    40    42   0.15000  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    40   0.15000  1.0 3.0
   78    77    86    87   0.19450  1.0 3.0
   83    77    86    87  -0.11600  1.0 1.0
   83    77    86    87  -0.09450 -1.0 2.0
   83    77    86    87   0.21250  1.0 3.0
   84    83    40    33   0.15000  1.0 3.0
   84    83    40    41   0.23400  1.0 3.0
   84    83    40    42   0.15000  1.0 3.0
   85    83    40    33   0.15000  1.0 3.0
   85    83    40    41   0.23400  1.0 3.0
   85    83    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   86    77    83    84   0.23400  1.0 3.0
   86    77    83    85   0.23400  1.0 3.0
   86    77    83    40   0.86500  1.0 1.0
   86    77    83    40  -0.17500 -1.0 2.0
   86    77    83    40   0.20800  1.0 3.0
   79    76    77    78   0.34800  1.0 3.0
   79    76    77    83   0.46850  1.0 1.0
   79    76    77    83   0.08550 -1.0 2.0
   79    76    77    83   0.09800  1.0 3.0
   79    76    77    86   0.18000  1.0 1.0
   79    76    77    86   0.16450 -1.0 2.0
   79    76    77    86   0.04450  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    61  -0.56150  1.0 1.0
   57    52    55    61   2.19150 -1.0 2.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    52   0.61850  1.0 1.0
   51    47    49    52  -0.22750 -1.0 2.0
   51    47    49    52   0.15300  1.0 3.0
   51    47    49    68   0.62750  1.0 1.0
   51    47    49    68  -0.30950 -1.0 2.0
   51    47    49    68   0.27300  1.0 3.0
   51    53    60    62  -0.56150  1.0 1.0
   51    53    60    62   2.19150 -1.0 2.0
   51    53    60    64  -0.15000  1.0 1.0
   51    53    60    64   0.89550 -1.0 2.0
   51    53    60    64  -0.06900  1.0 3.0
   53    60    62    63   7.00000 -1.0 2.0
   53    60    62    70   7.00000 -1.0 2.0
   53    60    64    65   0.15000  1.0 3.0
   53    60    64    66   0.15000  1.0 3.0
   53    60    64    67   0.15000  1.0 3.0
   54    53    60    62   1.00000 -1.0 2.0
   54    53    60    64  -0.64400  1.0 1.0
   54    53    60    64   0.26850 -1.0 2.0
   60    62    70    71   0.00000  1.0 1.0
   60    62    70    72   0.00000  1.0 1.0
   60    62    70    73   0.00000  1.0 1.0
   62    60    64    65   0.00000  1.0 1.0
   62    60    64    66   0.00000  1.0 1.0
   62    60    64    67   0.00000  1.0 1.0
   63    62    70    71   0.33100  1.0 3.0
   63    62    70    72   0.33100  1.0 3.0
   63    62    70    73   0.33100  1.0 3.0
   64    60    62    63   7.00000 -1.0 2.0
   64    60    62    70   7.00000 -1.0 2.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    83   0.56750  1.0 1.0
   43    33    40    83  -0.07550 -1.0 2.0
   43    33    40    83   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   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
   35    30    34    36  10.50000 -1.0 2.0
   49    55    52    57   1.10000 -1.0 2.0
   52    61    55    56  10.50000 -1.0 2.0
   68    75    74    76   1.10000 -1.0 2.0
   77    79    76    74   1.10000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   51    60    53    54  10.50000 -1.0 2.0
   53    64    60    62  15.00000 -1.0 2.0
   70    63    62    60  15.00000 -1.0 2.0
END
