* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    163    259     488
    1     0 S   NP   _N1_     1    28.61231    96.93198   -23.27160
    2     1 S   H    _HN1     2     1.02776   107.28219   -98.78942
    3     1 S   H    _H1_     3     1.02959    71.22996     5.22630
    4     1 S   H    _H2_     4     1.02838    38.19327   164.04974
    5     1 S   CT   _CA1     5     1.50123   136.87464   105.33869
    6     5 S   HC   _HA1     6     1.09575   105.22592    93.58076
    7     5 S   CO3  _C1_     7     1.53786   112.35842   -26.62031
    8     7 S   O2Z  _O11     8     1.26362   114.99542   -44.16823
    9     7 S   O2Z  _O12     9     1.26235   114.92863   134.96502
   10     5 S   CT   _CB1    10     1.53103   107.43428  -148.51140
   11    10 S   HC   HB11    11     1.09826   109.33795   -50.69991
   12    10 S   HC   HB12    12     1.09816   110.42172    65.85294
   13    10 S   CT   _CG1    13     1.53018   112.66877  -171.78436
   14    13 S   HC   HG11    14     1.09594   110.47744   -64.02330
   15    13 S   HC   HG12    15     1.09653   109.94116    55.18166
   16    13 S   C    _CD1    16     1.51817   112.32326   175.54649
   17    16 S   O    _OE1    17     1.22759   123.33516    -0.74546
   18    16 S   N    _N2_    18     1.38609   111.74165   179.36882
   19    18 S   H    _HN2    19     1.01583   119.02280     4.05434
   20    18 S   CT1  _CA2    20     1.45877   122.79884   178.46737
   21    20 S   HC   _HA2    21     1.09665   109.90497    21.78332
   22    20 S   C    _C2_    22     1.52744   104.99156   -95.65325
   23    22 S   O    _O2_    23     1.22963   122.32621   -85.54628
   24    20 S   CT   _CB2    32     1.53170   111.63823   144.94398
   25    24 S   HC   HB21    33     1.09584   110.70295    49.57537
   26    24 S   HC   HB22    34     1.09455   109.57108   168.90570
   27    22 S   N    _N3_    24     1.38523   112.78835    90.44738
   28    27 S   H    _HN3    25     1.01583   119.53109     1.98317
   29    24 S   S    _SG2    35     1.82534   110.87681   -71.37292
   30    27 S   CT   _CA3    26     1.45450   123.28824   179.58175
   31    30 S   HC   HA31    27     1.09502   109.69240    19.38377
   32    30 S   HC   HA32    28     1.09511   107.14488   136.39438
   33    29 S   CT   _C21    36     1.82842   100.18859   166.73630
   34    33 S   HC   _H23    37     1.09564   107.85159   -63.68733
   35    33 S   HC   _H24    38     1.09607   106.46144  -178.05469
   36    30 S   CO3  _C3_    29     1.52797   112.37484  -104.12213
   37    36 S   O2Z  _O31    30     1.26428   115.07085   -59.20060
   38    36 S   O2Z  _O32    31     1.26297   115.26764   121.08066
   39    33 S   CT   _C19    39     1.53158   114.89881    59.84110
   40    39 S   HC   _H10    40     1.09638   109.90748   -61.23288
   41    39 S   CO4  _C18    41     1.51769   111.37449    59.98546
   42    41 S   O    _O38    42     1.22354   124.48700    61.44637
   43    39 S   CT   _C20    82     1.52847   110.76308  -179.20919
   44    43 S   HC   _H20    83     1.09572   111.49501   -59.47996
   45    43 S   HC   _H21    84     1.09494   110.81148    60.98089
   46    43 S   HC   _H22    85     1.09566   110.75441  -179.11530
   47    41 S   OS   _O37    43     1.36385   109.46193  -119.24907
   48    47 S   CT   _C11    44     1.46388   118.60945  -180.00000
   49    48 S   HC   _H5_    45     1.09445   106.17376   -30.92742
   50    48 S   CT   _C12    46     1.55249   106.11341    86.01421
   51    50 S   HC   _H6_    47     1.09966   105.82408   -27.58733
   52    48 S   CT   _C10    67     1.54432   106.69454  -145.48312
   53    50 S   CT   _C13    48     1.53962   117.18244  -146.02203
   54    53 S   HC   _H7_    49     1.09946   108.13481   148.32231
   55    52 S   CT   _C22    68     1.54325   114.10354   178.63872
   56    55 S   HC   _H25    69     1.08538   113.76998    74.39260
   57    55 S   HC   _H26    70     1.09488   110.80117   -47.79488
   58    55 S   HC   _H27    71     1.09740   112.21018  -165.95571
   59    53 S   CO4  _C14    50     1.50549   103.10035  -100.10170
   60    59 S   O    _O34    51     1.22065   126.31465   161.99288
   61    53 S   CT   _C17    78     1.51686   118.15404    25.65094
   62    61 S   HC   _H17    79     1.09296   112.47662   -67.55408
   63    61 S   HC   _H18    80     1.09602   110.17380   173.88060
   64    61 S   HC   _H19    81     1.09440   111.03242    54.82980
   65    59 S   OS   _O35    52     1.36791   109.32684   -19.14239
   66    50 S   CT   _C15    53     1.52986   120.12534    92.43029
   67    66 S   HC   _H8_    54     1.10149   106.63723  -154.17825
   68    66 S   CT   _C16    55     1.53456   121.97801   -32.55208
   69    68 S   HC   _H9_    56     1.09721   109.02334   -53.06787
   70    68 S   CT   _C5_    57     1.55586   118.13450    72.44924
   71    70 S   HC   _H3_    58     1.09524   109.67235    50.80327
   72    68 S   OH   _O36    76     1.43947   106.03046  -166.87478
   73    72 S   HO   _H16    77     0.97237   107.90521    64.08699
   74    70 S   CT   _C6_    59     1.54105   109.65863   -71.78491
   75    74 S   HC   _H4_    60     1.10076   105.47436   -51.26820
   76    70 S   CT   _C4_    72     1.54401   109.84814   166.42281
   77    76 S   HC   _H11    73     1.09529   111.19544    63.03849
   78    76 S   HC   _H12    74     1.09477   111.71010   -57.82150
   79    76 S   HC   _H13    75     1.09419   111.35402  -175.90375
   80    74 S   CM   _C7_    61     1.50901   119.74962  -166.19055
   81    80 S   HC   _H14    62     1.08139   123.89450    35.90037
   82    80 S   CM   _C8_    63     1.33567   113.80406  -152.62646
   83    82 S   HC   _H15    64     1.07511   128.89868  -174.25727
   84    82 S   CO4  _C9_    65     1.47319   105.06315     6.49021
   85    84 S   O    _O33    66     1.22145   122.84441  -169.96546
  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   7   5   4   3
  11   5   4   2   1   1   9   7  10   3   4   2   1   1  10  23
   8  20   9  18  11   8  10   4   3   2   9   3   5   2   1   1
   6   9   4  12   6  13   8   3   1  11   5   4   2   1   1   5
   3   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    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    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    50    52    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    53    66    74    84    52    55  
   49    50    51    53    54    59    65    66    67    68    70    74    75    80    82    84    85    52    55    56    57    58    61  
   50    51    53    66    74    84    52    55  
   51    53    54    59    60    65    66    67    68    69    70    74    84    52    55    72    61    62    63    64  
   53    54    59    65    66    67    68    52    61  
   55    56    57    58    76    53    66    68    70    71    74    75    80    81    82    83    84    85  
   54    59    60    65    66    67    68    61    62    63    64  
   59    60    65    66    61    62    63    64  
   56    57    58    70    74    75    80    82    84    85  
   57    58    74    84  
   58    74    84  
   74    84  
   60    65    66    67    68    61    62    63    64  
   65    66    61  
   62    63    64    65    66  
   63    64  
   64  
    0  
   66    67    68    69    70    72  
   67    68    69    70    71    74    76    72    73  
   68    69    70    72  
   69    70    71    74    75    80    76    77    78    79    72    73  
   70    71    74    76    72    73  
   71    74    75    80    81    82    84    76    77    78    79    72    73  
   74    75    80    76    77    78    79    72  
   73    74    76  
    0  
   75    80    81    82    83    84    85    76    77    78    79  
   80    81    82    84    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82    83    84    85  
   82    83    84  
   83    84    85  
   84    85  
   85  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   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    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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    52   268.000  1.529
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    66   268.000  1.529
   53    54   340.000  1.090
   53    59   317.000  1.522
   53    61   268.000  1.529
   59    60   570.000  1.229
   59    65   214.000  1.327
   65    66   320.000  1.410
   66    67   340.000  1.090
   66    68   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   268.000  1.529
   74    75   340.000  1.090
   74    80   317.000  1.510
   74    52   268.000  1.529
   80    81   340.000  1.080
   80    82   549.000  1.340
   82    83   340.000  1.080
   82    84   320.000  1.462
   84    85   570.000  1.229
   84    52   317.000  1.522
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   72    73   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    50.00000  109.50000
   47    48    52    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    53    58.35000  112.70000
   48    50    66    58.35000  112.70000
   48    52    74    58.35000  112.70000
   48    52    84    63.00000  111.10000
   48    52    55    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    59    63.00000  111.10000
   50    53    61    58.35000  112.70000
   50    66    65    50.00000  109.50000
   50    66    67    37.50000  110.70000
   50    66    68    58.35000  112.70000
   53    50    51    37.50000  110.70000
   53    59    60    80.00000  120.40000
   53    59    65    81.00000  111.40000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    64    37.50000  110.70000
   59    53    54    35.00000  109.50000
   59    65    66    83.00000  116.90000
   65    59    60    83.00000  123.40000
   65    66    67    35.00000  109.50000
   65    66    68    50.00000  109.50000
   66    50    51    37.50000  110.70000
   66    50    53    58.35000  112.70000
   66    68    69    37.50000  110.70000
   66    68    70    58.35000  112.70000
   66    68    72    50.00000  109.50000
   68    66    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    74    58.35000  112.70000
   68    70    76    58.35000  112.70000
   68    72    73    55.00000  108.50000
   70    68    69    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    80    70.00000  112.02700
   70    74    52    58.35000  112.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   74    70    71    37.50000  110.70000
   74    80    81    35.00000  117.00000
   74    80    82    70.00000  124.00000
   74    52    84    63.00000  111.10000
   74    52    55    58.35000  112.70000
   80    74    75    35.00000  109.50000
   80    82    83    35.00000  120.00000
   80    82    84    65.00000  118.96000
   82    80    81    35.00000  120.00000
   82    84    85    80.00000  123.72100
   82    84    52    65.00000  118.62400
   84    82    83    40.00000  117.72500
   84    52    55    63.00000  111.10000
   52    48    49    37.50000  110.70000
   52    48    50    58.35000  112.70000
   52    74    75    37.50000  110.70000
   52    74    80    70.00000  112.02700
   52    84    85    80.00000  120.40000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   61    53    54    37.50000  110.70000
   61    53    59    63.00000  111.10000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   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    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   1.63150  1.0 1.0
   39    41    47    48   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.08050  1.0 3.0
   41    47    48    50  -0.25900  1.0 1.0
   41    47    48    50  -0.47000 -1.0 2.0
   41    47    48    50   0.11750  1.0 3.0
   41    47    48    52  -0.25900  1.0 1.0
   41    47    48    52  -0.47000 -1.0 2.0
   41    47    48    52   0.11750  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    50    51   0.23400  1.0 3.0
   47    48    50    53   0.62750  1.0 1.0
   47    48    50    53  -0.30950 -1.0 2.0
   47    48    50    53   0.27300  1.0 3.0
   47    48    50    66   0.62750  1.0 1.0
   47    48    50    66  -0.30950 -1.0 2.0
   47    48    50    66   0.27300  1.0 3.0
   47    48    52    74   0.62750  1.0 1.0
   47    48    52    74  -0.30950 -1.0 2.0
   47    48    52    74   0.27300  1.0 3.0
   47    48    52    84  -0.09450  1.0 1.0
   47    48    52    84  -1.12950 -1.0 2.0
   47    48    52    84   0.54000  1.0 3.0
   47    48    52    55   0.62750  1.0 1.0
   47    48    52    55  -0.30950 -1.0 2.0
   47    48    52    55   0.27300  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    59  -0.95700  1.0 1.0
   48    50    53    59  -0.18200 -1.0 2.0
   48    50    53    59   0.29450  1.0 3.0
   48    50    53    61   0.56750  1.0 1.0
   48    50    53    61  -0.07550 -1.0 2.0
   48    50    53    61   0.20000  1.0 3.0
   48    50    66    65   0.62750  1.0 1.0
   48    50    66    65  -0.30950 -1.0 2.0
   48    50    66    65   0.27300  1.0 3.0
   48    50    66    67   0.15000  1.0 3.0
   48    50    66    68   0.56750  1.0 1.0
   48    50    66    68  -0.07550 -1.0 2.0
   48    50    66    68   0.20000  1.0 3.0
   48    52    55    56   0.15000  1.0 3.0
   48    52    55    57   0.15000  1.0 3.0
   48    52    55    58   0.15000  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    50    66   0.15000  1.0 3.0
   49    48    52    74   0.15000  1.0 3.0
   49    48    52    84  -0.11250  1.0 3.0
   49    48    52    55   0.15000  1.0 3.0
   50    48    52    74   0.56750  1.0 1.0
   50    48    52    74  -0.07550 -1.0 2.0
   50    48    52    74   0.20000  1.0 3.0
   50    48    52    84  -0.95700  1.0 1.0
   50    48    52    84  -0.18200 -1.0 2.0
   50    48    52    84   0.29450  1.0 3.0
   50    48    52    55   0.56750  1.0 1.0
   50    48    52    55  -0.07550 -1.0 2.0
   50    48    52    55   0.20000  1.0 3.0
   50    53    59    60   0.30150 -1.0 2.0
   50    53   -59    65   0.36750  1.0 3.0
   50    53    61    62   0.15000  1.0 3.0
   50    53    61    63   0.15000  1.0 3.0
   50    53    61    64   0.15000  1.0 3.0
   50    66    68    69   0.15000  1.0 3.0
   50    66    68    70   0.56750  1.0 1.0
   50    66    68    70  -0.07550 -1.0 2.0
   50    66    68    70   0.20000  1.0 3.0
   50    66    68    72   0.86500  1.0 1.0
   50    66    68    72  -0.17500 -1.0 2.0
   50    66    68    72   0.20800  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    59  -0.11250  1.0 3.0
   51    50    53    61   0.15000  1.0 3.0
   51    50    66    65   0.23400  1.0 3.0
   51    50    66    67   0.15000  1.0 3.0
   51    50    66    68   0.15000  1.0 3.0
   53    50   -66    65   0.62750  1.0 1.0
   53    50   -66    65  -0.30950 -1.0 2.0
   53    50   -66    65   0.27300  1.0 3.0
   53    50    66    67   0.15000  1.0 3.0
   53    50    66    68   0.56750  1.0 1.0
   53    50    66    68  -0.07550 -1.0 2.0
   53    50    66    68   0.20000  1.0 3.0
   53    59   -65    66   1.63150  1.0 1.0
   53    59   -65    66   2.92000 -1.0 2.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    65   0.00000  1.0 1.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    64   0.15000  1.0 3.0
   59    53    61    62  -0.11250  1.0 3.0
   59    53    61    63  -0.11250  1.0 3.0
   59    53    61    64  -0.11250  1.0 3.0
   59    65   -66    50  -0.25900  1.0 1.0
   59    65   -66    50  -0.47000 -1.0 2.0
   59    65   -66    50   0.11750  1.0 3.0
   59    65    66    67   0.08050  1.0 3.0
   59    65    66    68  -0.25900  1.0 1.0
   59    65    66    68  -0.47000 -1.0 2.0
   59    65    66    68   0.11750  1.0 3.0
   60    59    65    66   3.00000 -1.0 2.0
   65    66    68    69   0.23400  1.0 3.0
   65    66    68    70   0.62750  1.0 1.0
   65    66    68    70  -0.30950 -1.0 2.0
   65    66    68    70   0.27300  1.0 3.0
   65    66    68    72   3.69350  1.0 1.0
   65    66    68    72  -1.82950 -1.0 2.0
   66    50    53    54   0.15000  1.0 3.0
   66    50   -53    59  -0.95700  1.0 1.0
   66    50   -53    59  -0.18200 -1.0 2.0
   66    50   -53    59   0.29450  1.0 3.0
   66    50    53    61   0.56750  1.0 1.0
   66    50    53    61  -0.07550 -1.0 2.0
   66    50    53    61   0.20000  1.0 3.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    74   0.56750  1.0 1.0
   66    68    70    74  -0.07550 -1.0 2.0
   66    68    70    74   0.20000  1.0 3.0
   66    68    70    76   0.56750  1.0 1.0
   66    68    70    76  -0.07550 -1.0 2.0
   66    68    70    76   0.20000  1.0 3.0
   66    68    72    73  -0.11600  1.0 1.0
   66    68    72    73  -0.09450 -1.0 2.0
   66    68    72    73   0.21250  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    72   0.23400  1.0 3.0
   68    70    74    75   0.15000  1.0 3.0
   68    70    74    80   0.34400  1.0 1.0
   68    70    74    80   0.09450 -1.0 2.0
   68    70    74    80   0.11100  1.0 3.0
   68    70    74    52   0.56750  1.0 1.0
   68    70    74    52  -0.07550 -1.0 2.0
   68    70    74    52   0.20000  1.0 3.0
   68    70    76    77   0.15000  1.0 3.0
   68    70    76    78   0.15000  1.0 3.0
   68    70    76    79   0.15000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.15000  1.0 3.0
   69    68    70    76   0.15000  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    68    72    73  -0.11600  1.0 1.0
   70    68    72    73  -0.09450 -1.0 2.0
   70    68    72    73   0.21250  1.0 3.0
   70    74    80    81   0.00000  1.0 1.0
   70    74    80    82   0.09850  1.0 1.0
   70    74    80    82   0.15250 -1.0 2.0
   70    74    80    82  -0.50650  1.0 3.0
   70    74    52    48   0.56750  1.0 1.0
   70    74    52    48  -0.07550 -1.0 2.0
   70    74    52    48   0.20000  1.0 3.0
   70    74    52    84  -0.95700  1.0 1.0
   70    74    52    84  -0.18200 -1.0 2.0
   70    74    52    84   0.29450  1.0 3.0
   70    74    52    55   0.56750  1.0 1.0
   70    74    52    55  -0.07550 -1.0 2.0
   70    74    52    55   0.20000  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    80   0.15000  1.0 3.0
   71    70    74    52   0.15000  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    79   0.15000  1.0 3.0
   74    70    76    77   0.15000  1.0 3.0
   74    70    76    78   0.15000  1.0 3.0
   74    70    76    79   0.15000  1.0 3.0
   74    80    82    83   7.00000 -1.0 2.0
   74    80   -82    84   7.00000 -1.0 2.0
   74    52    55    56   0.15000  1.0 3.0
   74    52    55    57   0.15000  1.0 3.0
   74    52    55    58   0.15000  1.0 3.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    82   0.00000  1.0 1.0
   75    74    52    48   0.15000  1.0 3.0
   75    74    52    84  -0.11250  1.0 3.0
   75    74    52    55   0.15000  1.0 3.0
   80    74    52    48   0.34400  1.0 1.0
   80    74    52    48   0.09450 -1.0 2.0
   80    74    52    48   0.11100  1.0 3.0
   80    74   -52    84  -0.98800  1.0 1.0
   80    74   -52    84   0.48800 -1.0 2.0
   80    74   -52    84   0.76800  1.0 3.0
   80    74    52    55   0.34400  1.0 1.0
   80    74    52    55   0.09450 -1.0 2.0
   80    74    52    55   0.11100  1.0 3.0
   80    82    84    85   1.00000 -1.0 2.0
   80    82   -84    52  -0.33500  1.0 1.0
   80    82   -84    52   1.06600 -1.0 2.0
   80    82   -84    52  -0.14000  1.0 3.0
   81    80    82    83   7.00000 -1.0 2.0
   81    80    82    84   7.00000 -1.0 2.0
   82    84    52    48   0.65300  1.0 1.0
   82    84    52    48  -0.03850 -1.0 2.0
   82    84    52    48   0.33900  1.0 3.0
   82    84   -52    74   0.65300  1.0 1.0
   82    84   -52    74  -0.03850 -1.0 2.0
   82    84   -52    74   0.33900  1.0 3.0
   82    84    52    55   0.65300  1.0 1.0
   82    84    52    55  -0.03850 -1.0 2.0
   82    84    52    55   0.33900  1.0 3.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    52   0.04550  1.0 1.0
   83    82    84    52   0.83000 -1.0 2.0
   83    82    84    52  -0.04000  1.0 3.0
   84    52    55    56  -0.11250  1.0 3.0
   84    52    55    57  -0.11250  1.0 3.0
   84    52    55    58  -0.11250  1.0 3.0
   85    84    52    48   0.30150 -1.0 2.0
   85    84    52    74   0.30150 -1.0 2.0
   85    84    52    55   0.30150 -1.0 2.0
   52    48    50    51   0.15000  1.0 3.0
   52    48    50    53   0.56750  1.0 1.0
   52    48    50    53  -0.07550 -1.0 2.0
   52    48    50    53   0.20000  1.0 3.0
   52    48    50    66   0.56750  1.0 1.0
   52    48    50    66  -0.07550 -1.0 2.0
   52    48    50    66   0.20000  1.0 3.0
   52    74    80    81   0.00000  1.0 1.0
   52    74   -80    82   0.09850  1.0 1.0
   52    74   -80    82   0.15250 -1.0 2.0
   52    74   -80    82  -0.50650  1.0 3.0
   76    70    74    75   0.15000  1.0 3.0
   76    70    74    80   0.34400  1.0 1.0
   76    70    74    80   0.09450 -1.0 2.0
   76    70    74    80   0.11100  1.0 3.0
   76    70    74    52   0.56750  1.0 1.0
   76    70    74    52  -0.07550 -1.0 2.0
   76    70    74    52   0.20000  1.0 3.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74   0.86500  1.0 1.0
   72    68    70    74  -0.17500 -1.0 2.0
   72    68    70    74   0.20800  1.0 3.0
   72    68    70    76   0.86500  1.0 1.0
   72    68    70    76  -0.17500 -1.0 2.0
   72    68    70    76   0.20800  1.0 3.0
   61    53    59    60   0.30150 -1.0 2.0
   61    53    59    65   0.36750  1.0 3.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  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
   37    30    36    38  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   53    65    59    60  10.50000 -1.0 2.0
   74    81    80    82   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   82    52    84    85  10.50000 -1.0 2.0
END
