* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    154    245     457
    1     0 S   NP   _N1_     1    28.66268    96.49915   -22.16552
    2     1 S   H    _HN1     2     1.02959    75.49491    21.31715
    3     1 S   H    _H1_     3     1.02836    39.90496   162.67194
    4     1 S   H    _H2_     4     1.02778    95.75625   -86.16610
    5     1 S   CT   _CA1     5     1.50118   146.51148   126.44633
    6     5 S   HC   _HA1     6     1.09575   105.22536    83.04936
    7     5 S   CO3  _C1_     7     1.53779   112.42458   -37.14621
    8     7 S   O2Z  _O11     8     1.26357   115.00175   -43.14603
    9     7 S   O2Z  _O12     9     1.26241   114.92054   136.05118
   10     5 S   CT   _CB1    10     1.53097   107.42842  -159.04399
   11    10 S   HC   HB11    11     1.09825   109.29923   -50.89717
   12    10 S   HC   HB12    12     1.09818   110.42175    65.64315
   13    10 S   CT   _CG1    13     1.53012   112.69383  -172.00898
   14    13 S   HC   HG11    14     1.09595   110.44848   -64.43467
   15    13 S   HC   HG12    15     1.09656   109.96403    54.78501
   16    13 S   C    _CD1    16     1.51825   112.34340   175.11970
   17    16 S   O    _OE1    17     1.22721   123.25077    -1.39451
   18    16 S   N    _N2_    18     1.38624   111.61957   178.89323
   19    18 S   H    _HN2    19     1.01579   119.04812     1.24772
   20    18 S   CT1  _CA2    20     1.46186   123.45450   179.57572
   21    20 S   HC   _HA2    21     1.09746   109.35621    -3.86310
   22    20 S   C    _C2_    22     1.53512   108.74272  -119.32367
   23    22 S   O    _O2_    23     1.23041   122.22052  -147.23676
   24    20 S   CT   _CB2    32     1.53351   111.43612   118.06605
   25    24 S   HC   HB21    33     1.09586   110.10349    54.27489
   26    24 S   HC   HB22    34     1.09453   109.91505   173.41989
   27    22 S   N    _N3_    24     1.38509   113.55596    40.45902
   28    27 S   H    _HN3    25     1.01486   118.98000    -0.63581
   29    24 S   S    _SG2    35     1.82981   111.51026   -66.83273
   30    27 S   CT   _CA3    26     1.45430   123.28961   174.75652
   31    30 S   HC   HA31    27     1.09533   109.10910    27.70189
   32    30 S   HC   HA32    28     1.09493   107.18007   144.69410
   33    29 S   CT   _C10    36     1.84402    99.73815   171.62438
   34    33 S   HC   _H3_    37     1.09607   104.89313   -55.84793
   35    30 S   CO3  _C3_    29     1.52930   113.09874   -95.66388
   36    35 S   O2Z  _O31    30     1.26406   115.38906   -45.30376
   37    35 S   O2Z  _O32    31     1.26356   115.00107   135.60741
   38    33 S   CA   _C7_    38     1.52065   110.78797  -172.26579
   39    33 S   CM   _C11    49     1.51264   109.98825    63.01947
   40    39 S   HC   _H10    50     1.08913   115.61853    53.98038
   41    38 S   CA   _C6_    39     1.40442   119.55972   116.95354
   42    41 S   HA   _H7_    40     1.08758   120.37708    -0.12195
   43    39 S   CMA  _C12    51     1.35835   125.65578  -125.97298
   44    43 S   OM   _O33    52     1.26403   128.37321    -1.86046
   45    41 S   CA   _C5_    41     1.39644   120.78668   179.74207
   46    45 S   HA   _H6_    42     1.08622   119.89110   179.97202
   47    43 S   NE   _N4_    53     1.42657   119.76895   177.30136
   48    45 S   CA   _C4_    43     1.39277   120.10347    -0.09487
   49    48 S   HA   _H5_    44     1.08599   120.05707  -179.98022
   50    47 S   CM   _C17    54     1.39949   121.81830   -43.83406
   51    50 S   HC   _H17    55     1.08609   113.38052    -4.99505
   52    48 S   CA   _C9_    45     1.39277   119.88299    -0.05234
   53    52 S   HA   _H9_    46     1.08621   119.99492  -179.92087
   54    50 S   CM   _C16    56     1.34526   126.25865   177.33810
   55    38 S   CA   _C8_    47     1.40553   122.07372   -63.57402
   56    55 S   HA   _H8_    48     1.08727   120.53464     0.32021
   57    54 S   CT   _C15    57     1.50978   119.39560    -2.27279
   58    57 S   HC   _H15    58     1.09663   108.91196   103.95103
   59    57 S   HC   _H16    59     1.09526   110.66648  -138.26429
   60    54 S   CT   _C18    66     1.51142   121.29483   177.15476
   61    60 S   HC   _H4_    67     1.09828   109.39979    -3.14772
   62    57 S   CT   _C14    60     1.53085   112.14957   -17.27476
   63    62 S   HC   _H13    61     1.09581   109.79656   168.11638
   64    62 S   HC   _H14    62     1.09815   109.15083   -74.95917
   65    60 S   CT   _C19    68     1.53537   113.20862  -124.41958
   66    65 S   HC   _H18    69     1.09685   109.98525    58.79429
   67    65 S   HC   _H19    70     1.09756   110.59377   -58.92981
   68    47 S   CT   _C13    63     1.48684   121.17982   142.00101
   69    68 S   HC   _H11    64     1.09744   109.45129    90.13922
   70    68 S   HC   _H12    65     1.09719   110.95592   -29.04335
   71    65 S   CT   _C20    71     1.52881   111.57295  -179.90935
   72    71 S   HC   _H20    72     1.09697   109.42181   -66.81183
   73    71 S   HC   _H21    73     1.09578   109.71495   176.11849
   74    71 S   CT   _C21    74     1.52642   111.42839    54.37826
   75    74 S   HC   _H22    75     1.09723   109.29974    67.36640
   76    74 S   HC   _H23    76     1.09566   109.66758  -175.75758
   77    74 S   CT   _C22    77     1.52005   111.64521   -54.02324
   78    77 S   HC   _H24    78     1.09390   111.53143   172.86881
   79    77 S   HC   _H25    79     1.09489   112.18642   -64.16022
   80    60 S   NP   _N5_    80     1.50731   112.15425   112.79291
   81    80 S   H    _H26    81     1.02895   109.79726    61.21893
   82    80 S   H    _H27    82     1.02942   108.79474   -53.98475
  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   8   5   4   3
  13   6   2   1   1  12   8   3   8   4   9   3   6   3  11   5
   3  13   4   3   2  17   1   1  12   6   5  15   8   5   4   3
  12   6   5   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    55    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    52    55    56    39    40    43    44    47  
   38    41    55    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    52    53    55    56    39    40    43  
   40    43    44    47    50    68    41    55  
   43    44    47  
   42    45    46    48    49    52    55    56  
   45    46    48    55  
   44    47    50    51    54    62    68    69    70  
   47    50    68  
   46    48    49    52    53    55  
   48    49    52  
   50    51    54    57    62    63    64    68    69    70    60  
   49    52    53    55    56  
   52    53    55  
   51    54    57    58    59    62    68    69    70    60    61    65    80  
   54    57    68    60  
   53    55    56  
   55    56  
   57    58    59    62    63    64    68    60    61    65    66    67    71    77    80    81    82  
   56  
    0  
   58    59    62    63    64    68    69    70    60    61    65    80  
   59    62    63    64    68    60  
   62    63    64    68    60  
   61    65    66    67    71    72    73    74    77    78    79    80    81    82    62  
   65    66    67    71    77    80    81    82  
   63    64    68    69    70  
   64    68    69    70  
   68    69    70  
   66    67    71    72    73    74    75    76    77    80    81    82  
   67    71    72    73    74    80  
   71    72    73    74    80  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -0.775800   1.9050   1.6860   0.051222218  -2.220205820
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.2500   0.1700  -0.200000   2.2900   2.0360   0.003973653   1.685851020
   81   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   82   0.5000   0.0300   0.310000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    55   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    56   367.000  1.080
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   415.000  1.382
   47    50   425.000  1.378
   47    68   382.000  1.448
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    57   317.000  1.510
   54    60   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   60    61   340.000  1.090
   60    65   268.000  1.529
   60    80   367.000  1.471
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   367.000  1.471
   80    81   434.000  1.010
   80    82   434.000  1.010
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    55    52    63.00000  120.00000
   38    55    56    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    49    35.00000  120.00000
   45    48    52    63.00000  120.00000
   48    45    46    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    55    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    55    56    35.00000  120.00000
   55    38    41    63.00000  120.00000
   55    52    53    35.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    75.00000  114.40000
   43    39    40    40.00000  120.50800
   43    47    50    75.00000  118.45600
   43    47    68    50.00000  121.00000
   47    43    44   105.00000  113.92000
   47    50    51    50.00000  112.30800
   47    50    54    70.00000  124.03900
   47    68    62    80.00000  111.61500
   47    68    69    35.00000  109.50000
   47    68    70    35.00000  109.50000
   50    54    57    70.00000  124.00000
   50    54    60    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    70.00000  112.02700
   54    60    61    35.00000  109.50000
   54    60    65    70.00000  112.02700
   54    60    80    75.00000  110.06800
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    68    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   64    62    63    33.00000  107.80000
   68    47    50    50.00000  121.00000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   70    68    69    33.00000  107.80000
   60    54    57    65.00000  117.92700
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    71    58.35000  112.70000
   60    80    77    75.00000  113.01200
   60    80    81    35.00000  109.50000
   60    80    82    35.00000  109.50000
   65    60    61    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    58.35000  112.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    80.00000  111.20000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    60    61    35.00000  109.50000
   80    60    65    80.00000  111.20000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   82    80    81    35.00000  109.50000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    55    52   3.62500 -1.0 2.0
   33    38    55    56   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    55    52   3.62500 -1.0 2.0
   41    38    55    56   3.62500 -1.0 2.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45   -48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    52    53   3.62500 -1.0 2.0
   45    48    52    55   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    52   -55    38   3.62500 -1.0 2.0
   48    52    55    56   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   53    52    55    38   3.62500 -1.0 2.0
   53    52    55    56   3.62500 -1.0 2.0
   55    38    41    42   3.62500 -1.0 2.0
   55    38   -41    45   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    55   0.18050 -1.0 2.0
   39    43    47    50  -0.54500  1.0 1.0
   39    43    47    50   1.14150 -1.0 2.0
   39    43    47    68  -0.54700  1.0 1.0
   39    43    47    68   1.23000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    50    51   0.00000  1.0 1.0
   43    47    50    54  -0.54500  1.0 1.0
   43    47    50    54   1.14150 -1.0 2.0
   43    47    68    62   0.25450  1.0 1.0
   43    47    68    62  -0.61700 -1.0 2.0
   43    47    68    62  -0.23550  1.0 3.0
   43    47    68    69   0.00000  1.0 1.0
   43    47    68    70   0.00000  1.0 1.0
   44    43    47    50   1.00000 -1.0 2.0
   44    43    47    68   1.00000 -1.0 2.0
   47    50    54    57   7.00000 -1.0 2.0
   47    50    54    60   7.00000 -1.0 2.0
   50    47    68    62   0.25450  1.0 1.0
   50    47    68    62  -0.61700 -1.0 2.0
   50    47    68    62  -0.23550  1.0 3.0
   50    47    68    69   0.00000  1.0 1.0
   50    47    68    70   0.00000  1.0 1.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54   -57    62   0.09850  1.0 1.0
   50    54   -57    62   0.15250 -1.0 2.0
   50    54   -57    62  -0.50650  1.0 3.0
   50    54    60    61   0.00000  1.0 1.0
   50    54    60    65   0.09850  1.0 1.0
   50    54    60    65   0.15250 -1.0 2.0
   50    54    60    65  -0.50650  1.0 3.0
   50    54    60    80   0.80850  1.0 1.0
   50    54    60    80  -0.47300 -1.0 2.0
   50    54    60    80  -0.52300  1.0 3.0
   51    50    54    57   7.00000 -1.0 2.0
   51    50    54    60   7.00000 -1.0 2.0
   54    57    62    63   0.15000  1.0 3.0
   54    57    62    64   0.15000  1.0 3.0
   54    57    62    68   0.34400  1.0 1.0
   54    57    62    68   0.09450 -1.0 2.0
   54    57    62    68   0.11100  1.0 3.0
   54    60    65    66   0.15000  1.0 3.0
   54    60    65    67   0.15000  1.0 3.0
   54    60    65    71   0.34400  1.0 1.0
   54    60    65    71   0.09450 -1.0 2.0
   54    60    65    71   0.11100  1.0 3.0
   54    60    80    77   0.08000 -1.0 2.0
   54    60    80    81   0.17350  1.0 3.0
   54    60    80    82   0.17350  1.0 3.0
   57    54    60    61   0.34800  1.0 3.0
   57    54    60    65   0.46850  1.0 1.0
   57    54    60    65   0.08550 -1.0 2.0
   57    54    60    65   0.09800  1.0 3.0
   57    54    60    80   0.52100  1.0 1.0
   57    54    60    80  -0.20350 -1.0 2.0
   57    54    60    80   0.29750  1.0 3.0
   57    62   -68    47   1.26750  1.0 1.0
   57    62   -68    47  -0.00950 -1.0 2.0
   57    62   -68    47   0.30600  1.0 3.0
   57    62    68    69   0.15000  1.0 3.0
   57    62    68    70   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    68   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    68   0.15000  1.0 3.0
   63    62    68    47   0.22950  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   64    62    68    47   0.22950  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   68    47    50    51   0.00000  1.0 1.0
   68    47   -50    54  -0.54700  1.0 1.0
   68    47   -50    54   1.23000 -1.0 2.0
   60    54    57    58   0.34800  1.0 3.0
   60    54    57    59   0.34800  1.0 3.0
   60    54    57    62   0.46850  1.0 1.0
   60    54    57    62   0.08550 -1.0 2.0
   60    54    57    62   0.09800  1.0 3.0
   60    65    71    72   0.15000  1.0 3.0
   60    65    71    73   0.15000  1.0 3.0
   60    65    71    74   0.56750  1.0 1.0
   60    65    71    74  -0.07550 -1.0 2.0
   60    65    71    74   0.20000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    71   0.15000  1.0 3.0
   61    60    80    77   0.15000  1.0 3.0
   61    60    80    81   0.13050  1.0 3.0
   61    60    80    82   0.13050  1.0 3.0
   65    60    80    77   0.47100  1.0 1.0
   65    60    80    81   0.17350  1.0 3.0
   65    60    80    82   0.17350  1.0 3.0
   65    71    74    75   0.15000  1.0 3.0
   65    71    74    76   0.15000  1.0 3.0
   65    71   -74    77   0.56750  1.0 1.0
   65    71   -74    77  -0.07550 -1.0 2.0
   65    71   -74    77   0.20000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    74   0.15000  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    74   0.15000  1.0 3.0
   71    74    77    78   0.15000  1.0 3.0
   71    74    77    79   0.15000  1.0 3.0
   71    74    77    80   1.36600  1.0 1.0
   71    74    77    80  -0.11450 -1.0 2.0
   71    74    77    80   0.24250  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77   -80    60   0.47100  1.0 1.0
   74    77    80    81   0.17350  1.0 3.0
   74    77    80    82   0.17350  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.19200  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.19200  1.0 3.0
   78    77    80    60   0.15000  1.0 3.0
   78    77    80    81   0.13050  1.0 3.0
   78    77    80    82   0.13050  1.0 3.0
   79    77    80    60   0.15000  1.0 3.0
   79    77    80    81   0.13050  1.0 3.0
   79    77    80    82   0.13050  1.0 3.0
   80    60    65    66   0.19200  1.0 3.0
   80    60    65    67   0.19200  1.0 3.0
   80    60   -65    71   1.36600  1.0 1.0
   80    60   -65    71  -0.11450 -1.0 2.0
   80    60   -65    71   0.24250  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
   41    55    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   52    49    48    45   1.10000 -1.0 2.0
   55    53    52    48   1.10000 -1.0 2.0
   52    56    55    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   68    43    47    50   1.00000 -1.0 2.0
   47    51    50    54   1.10000 -1.0 2.0
   57    60    54    50   1.10000 -1.0 2.0
END
