* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    164    256     487
    1     0 S   NP   _N1_     1    29.41840    89.90825   -22.82388
    2     1 S   H    _HN1     2     1.03226   121.64534    32.58732
    3     1 S   H    _H1_     3     1.02795    17.36983    68.64271
    4     1 S   H    _H2_     4     1.02738    93.22688   -80.63140
    5     1 S   CT   _CA1     5     1.50172   110.25157   164.37303
    6     5 S   HC   _HA1     6     1.09564   105.27582    45.20787
    7     5 S   CO3  _C1_     7     1.53799   112.37698   -75.01286
    8     7 S   O2Z  _O11     8     1.26338   115.13921   -44.34213
    9     7 S   O2Z  _O12     9     1.26275   114.85206   134.62468
   10     5 S   CT   _CB1    10     1.52933   107.11958   163.14542
   11    10 S   HC   HB11    11     1.09800   109.28266   -49.58794
   12    10 S   HC   HB12    12     1.09754   110.09276    66.70301
   13    10 S   CT   _CG1    13     1.53039   113.32279  -171.09086
   14    13 S   HC   HG11    14     1.09476   110.36864   -58.04239
   15    13 S   HC   HG12    15     1.09563   110.65964    61.09405
   16    13 S   C    _CD1    16     1.51766   110.12247  -179.83214
   17    16 S   O    _OE1    17     1.22907   122.15206   -47.23722
   18    16 S   N    _N2_    18     1.38288   113.06277   132.50931
   19    18 S   H    _HN2    19     1.01531   119.62621     6.98087
   20    18 S   CT1  _CA2    20     1.45732   122.67121  -175.98629
   21    20 S   HC   _HA2    21     1.09564   108.50922    22.88325
   22    20 S   C    _C2_    22     1.52866   107.64274   -93.84666
   23    22 S   O    _O2_    23     1.22938   122.95219   -26.47817
   24    20 S   CT   _CB2    32     1.53386   112.35820   145.76706
   25    24 S   HC   HB21    33     1.09677   109.49823    66.55772
   26    24 S   HC   HB22    34     1.09492   111.09267  -176.48470
   27    22 S   N    _N3_    24     1.38635   112.34086   156.29984
   28    27 S   H    _HN3    25     1.01498   119.72331     1.04268
   29    24 S   S    _SG2    35     1.82868   114.11264   -52.24291
   30    27 S   CT   _CA3    26     1.45447   122.85189   175.64576
   31    30 S   HC   HA31    27     1.09537   108.96806    30.03394
   32    30 S   HC   HA32    28     1.09480   107.18435   147.15075
   33    29 S   CT   _C20    36     1.84295   101.13607   -69.73587
   34    33 S   HC   _H8_    37     1.09371   107.73525    35.96869
   35    30 S   CO3  _C3_    29     1.53032   113.48961   -93.04397
   36    35 S   O2Z  _O31    30     1.26382   115.72897   -33.87768
   37    35 S   O2Z  _O32    31     1.26395   114.75282   147.00356
   38    33 S   CM   _C7_    38     1.53995   108.14126   151.39409
   39    33 S   CT   _C21    83     1.53036   110.55193   -78.75714
   40    39 S   HC   _H26    84     1.09442   113.27197   -49.29999
   41    39 S   HC   _H27    85     1.09574   110.74089  -171.12314
   42    39 S   HC   _H28    86     1.09605   110.55533    70.68905
   43    38 S   CMA  _C8_    39     1.37062   125.89434    84.44534
   44    43 S   OM   _O38    40     1.26815   125.21296     0.45842
   45    38 S   CT   _C6_    70     1.53228   112.53347   -93.32338
   46    45 S   HC   _H12    71     1.09693   110.03414    21.94776
   47    45 S   HC   _H13    72     1.09594   107.58510   134.31692
   48    43 S   OS   _O33    41     1.42953   111.89648  -177.34207
   49    48 S   CT   _C9_    42     1.42691   115.43056  -148.25068
   50    49 S   HC   _H4_    43     1.10138   109.50956    36.33316
   51    49 S   CT   _C12    44     1.53849   113.05226   154.33781
   52    51 S   HC   _H7_    45     1.09686   110.78159   -85.77235
   53    49 S   CT   _C10    57     1.52730   114.78393   -87.34501
   54    53 S   HC   _H5_    58     1.09272   113.30564    70.90948
   55    51 S   CM   _C13    46     1.51000   121.72582    45.29972
   56    53 S   OH   _O37    59     1.42344   111.52775   -50.87014
   57    56 S   HO   _H25    60     0.97245   107.55890   174.34075
   58    55 S   CM   _C14    47     1.33982   111.18036   122.43634
   59    58 S   HC   _H16    48     1.08085   124.81836   178.42865
   60    55 S   CT   _C16    61     1.48847   123.78484   -60.24431
   61    60 S   HC   _H19    62     1.09605   109.53067    80.33078
   62    60 S   HC   _H20    63     1.09608   111.06222  -159.03182
   63    58 S   CT   _C15    49     1.48646   111.82763    -2.08281
   64    63 S   HC   _H17    50     1.09415   111.39287   111.66573
   65    63 S   HC   _H18    51     1.09301   112.26734  -124.49146
   66    60 S   OS   _O34    64     1.43044   108.39399   -39.06969
   67    51 S   NP   _N4_    52     1.55485   102.32768   161.04851
   68    67 S   H    _H6_    53     1.02872   109.66573   104.43683
   69    66 S   CO4  _C17    65     1.36375   115.40982   173.61617
   70    69 S   O    _O35    66     1.22493   125.62098    16.84496
   71    67 S   CT   _C11    54     1.52470   107.55888   -14.28589
   72    71 S   HC   _H14    55     1.09295   109.56389  -136.32536
   73    71 S   HC   _H15    56     1.09483   105.68479   104.85340
   74    69 S   CT   _C18    67     1.53039   109.64140  -160.56045
   75    74 S   CT   _C5_    68     1.56199   110.29740    53.62233
   76    75 S   HC   _H3_    69     1.09819   108.06937   -64.21005
   77    74 S   CT   _C19    77     1.53149   108.42506   -70.88246
   78    77 S   HC   _H21    78     1.09484   111.61019  -165.88762
   79    77 S   HC   _H22    79     1.09498   111.73052    71.82840
   80    77 S   HC   _H23    80     1.09687   110.69193   -48.03789
   81    74 S   OH   _O36    81     1.42568   107.65850   172.38526
   82    81 S   HO   _H24    82     0.97235   108.16924    63.65006
   83    75 S   CT   _C4_    73     1.53681   111.87307   178.63958
   84    83 S   HC   _H9_    74     1.09493   111.52358   -64.33182
   85    83 S   HC   _H10    75     1.09407   111.11095   175.04441
   86    83 S   HC   _H11    76     1.09379   111.48668    56.72498
  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   9   5   4   3
  13   7   2   1   1  15   5   2   1   1  10   3  13   5   4  10
  16   8  19   8  10   6  13   5   1  11   5   8   3   2   7   4
   3   6   4   3  11   4   2   1   1  12  11   6   6   3   2   1
   2   1   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    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    75    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    74    75    76    45    46    47    83    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    53    75    45    46    47  
   48    49    45  
   46    47    83    84    85    86    77    81    48    69    74    75    76  
   47    83    74    75    76  
   83    74    75    76  
   49    50    51    52    55    67    71    53    54    56  
   50    51    52    55    58    63    67    68    71    72    73    53    54    56    57    60  
   51    52    55    67    71    53    54    56  
   52    55    58    59    63    64    65    67    68    71    72    73    53    54    56    60    61    62    66  
   55    58    63    67    68    71    53    60  
   54    56    57    55    63    67    68    71    72    73  
   56    57    67    71    72    73  
   58    59    63    64    65    67    68    71    60    61    62    66    69  
   57    67    71    72    73  
   71  
   59    63    64    65    67    68    71    60    61    62    66  
   63    64    65    67    60  
   61    62    66    69    70    74    63    67  
   62    66    69  
   66    69  
   64    65    67    68    71    72    73  
   65    67    68    71  
   67    68    71  
   69    70    74    75    77    81  
   68    71    72    73  
   71    72    73  
   70    74    75    76    83    77    78    79    80    81    82  
   74    75    77    81  
   72    73  
   73  
    0  
   75    76    83    84    85    86    77    78    79    80    81    82  
   76    83    84    85    86    77    78    79    80    81    82  
   83    84    85    86    77    81  
   78    79    80    81    82    83  
   79    80    81  
   80    81  
   81  
   82    83  
    0  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   68   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660   0.150000   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   268.000  1.529
   51    52   340.000  1.090
   51    55   317.000  1.510
   51    67   367.000  1.471
   55    58   549.000  1.340
   55    60   317.000  1.510
   58    59   340.000  1.080
   58    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   367.000  1.471
   67    68   434.000  1.010
   67    71   367.000  1.471
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    53   268.000  1.529
   53    54   340.000  1.090
   53    56   320.000  1.410
   56    57   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   320.000  1.410
   66    69   214.000  1.327
   69    70   570.000  1.229
   69    74   317.000  1.522
   74    75   268.000  1.529
   74    77   268.000  1.529
   74    81   320.000  1.410
   75    76   340.000  1.090
   75    45   268.000  1.529
   75    83   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    75    70.00000  112.02700
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    53    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    55    70.00000  112.02700
   49    51    67    80.00000  111.20000
   49    53    71    58.35000  112.70000
   49    53    54    37.50000  110.70000
   49    53    56    50.00000  109.50000
   51    49    50    37.50000  110.70000
   51    55    58    70.00000  124.00000
   51    55    60    65.00000  117.92700
   51    67    63    75.00000  113.01200
   51    67    68    35.00000  109.50000
   51    67    71    75.00000  113.01200
   55    51    52    35.00000  109.50000
   55    58    59    35.00000  120.00000
   55    58    63    70.00000  124.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    66    85.00000  110.90400
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    67    75.00000  110.06800
   63    58    59    35.00000  117.00000
   63    67    68    35.00000  109.50000
   63    67    71    75.00000  113.01200
   65    63    64    33.00000  107.80000
   67    51    52    35.00000  109.50000
   67    51    55    75.00000  110.06800
   67    63    64    35.00000  109.50000
   67    63    65    35.00000  109.50000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    53    80.00000  111.20000
   71    67    68    35.00000  109.50000
   71    53    54    37.50000  110.70000
   71    53    56    50.00000  109.50000
   73    71    72    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    58.35000  112.70000
   53    71    72    37.50000  110.70000
   53    71    73    37.50000  110.70000
   53    56    57    55.00000  108.50000
   56    53    54    35.00000  109.50000
   60    55    58    70.00000  124.00000
   60    66    69    83.00000  116.90000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    69    70    83.00000  123.40000
   66    69    74    81.00000  111.40000
   69    74    75    63.00000  111.10000
   69    74    77    63.00000  111.10000
   69    74    81    90.00000  109.61100
   74    69    70    80.00000  120.40000
   74    75    76    37.50000  110.70000
   74    75    45    58.35000  112.70000
   74    75    83    58.35000  112.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    37.50000  110.70000
   74    81    82    55.00000  108.50000
   75    45    46    37.50000  110.70000
   75    45    47    37.50000  110.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   45    38    43    70.00000  124.00000
   45    75    76    37.50000  110.70000
   47    45    46    33.00000  107.80000
   83    75    76    37.50000  110.70000
   83    75    45    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   77    74    75    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    74    75    50.00000  109.50000
   81    74    77    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    75   0.46850  1.0 1.0
   33    38    45    75   0.08550 -1.0 2.0
   33    38    45    75   0.09800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    75   0.09850  1.0 1.0
   43    38    45    75   0.15250 -1.0 2.0
   43    38    45    75  -0.50650  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.46850  1.0 1.0
   43    48    49    51   0.09300 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    53  -0.46850  1.0 1.0
   43    48    49    53   0.09300 -1.0 2.0
   43    48    49    53  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    55   0.61850  1.0 1.0
   48    49    51    55  -0.22750 -1.0 2.0
   48    49    51    55   0.15300  1.0 3.0
   48    49    51    67   1.69300  1.0 1.0
   48    49    51    67  -0.48450 -1.0 2.0
   48    49    53    71   0.62750  1.0 1.0
   48    49    53    71  -0.30950 -1.0 2.0
   48    49    53    71   0.27300  1.0 3.0
   48    49    53    54   0.23400  1.0 3.0
   48    49    53    56   3.69350  1.0 1.0
   48    49    53    56  -1.82950 -1.0 2.0
   49    51    55    58   0.09850  1.0 1.0
   49    51    55    58   0.15250 -1.0 2.0
   49    51    55    58  -0.50650  1.0 3.0
   49    51    55    60   0.46850  1.0 1.0
   49    51    55    60   0.08550 -1.0 2.0
   49    51    55    60   0.09800  1.0 3.0
   49    51    67    63   0.47100  1.0 1.0
   49    51    67    68   0.17350  1.0 3.0
   49    51   -67    71   0.47100  1.0 1.0
   49    53    56    57  -0.11600  1.0 1.0
   49    53    56    57  -0.09450 -1.0 2.0
   49    53    56    57   0.21250  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    51    67   0.19200  1.0 3.0
   50    49    53    71   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    56   0.23400  1.0 3.0
   51    49   -53    71   0.56750  1.0 1.0
   51    49   -53    71  -0.07550 -1.0 2.0
   51    49   -53    71   0.20000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    56   0.86500  1.0 1.0
   51    49    53    56  -0.17500 -1.0 2.0
   51    49    53    56   0.20800  1.0 3.0
   51    55    58    59   7.00000 -1.0 2.0
   51    55   -58    63   7.00000 -1.0 2.0
   51    55    60    61   0.34800  1.0 3.0
   51    55    60    62   0.34800  1.0 3.0
   51    55    60    66   0.09700  1.0 1.0
   51    55    60    66   0.15600 -1.0 2.0
   51    55    60    66  -0.50800  1.0 3.0
   51    67    71    72   0.15000  1.0 3.0
   51    67    71    73   0.15000  1.0 3.0
   51    67   -71    53   0.47100  1.0 1.0
   52    51    55    58   0.00000  1.0 1.0
   52    51    55    60   0.34800  1.0 3.0
   52    51    67    63   0.15000  1.0 3.0
   52    51    67    68   0.13050  1.0 3.0
   52    51    67    71   0.15000  1.0 3.0
   55    51   -67    63   0.08000 -1.0 2.0
   55    51    67    68   0.17350  1.0 3.0
   55    51    67    71   0.08000 -1.0 2.0
   55    58    63    64   0.00000  1.0 1.0
   55    58    63    65   0.00000  1.0 1.0
   55    58   -63    67   0.80850  1.0 1.0
   55    58   -63    67  -0.47300 -1.0 2.0
   55    58   -63    67  -0.52300  1.0 3.0
   55    60    66    69  -0.82050  1.0 1.0
   55    60    66    69   0.00600 -1.0 2.0
   55    60    66    69   0.04400  1.0 3.0
   58    55    60    61   0.00000  1.0 1.0
   58    55    60    62   0.00000  1.0 1.0
   58    55    60    66   0.39000  1.0 1.0
   58    55    60    66  -0.05800 -1.0 2.0
   58    55    60    66  -0.55150  1.0 3.0
   58    63   -67    51   0.08000 -1.0 2.0
   58    63    67    68   0.17350  1.0 3.0
   58    63    67    71   0.08000 -1.0 2.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    65   0.33100  1.0 3.0
   59    58    63    67   0.00000  1.0 1.0
   63    67    71    72   0.15000  1.0 3.0
   63    67    71    73   0.15000  1.0 3.0
   63    67    71    53   0.47100  1.0 1.0
   64    63    67    51   0.15000  1.0 3.0
   64    63    67    68   0.13050  1.0 3.0
   64    63    67    71   0.15000  1.0 3.0
   65    63    67    51   0.15000  1.0 3.0
   65    63    67    68   0.13050  1.0 3.0
   65    63    67    71   0.15000  1.0 3.0
   67    51   -55    58   0.80850  1.0 1.0
   67    51   -55    58  -0.47300 -1.0 2.0
   67    51   -55    58  -0.52300  1.0 3.0
   67    51    55    60   0.52100  1.0 1.0
   67    51    55    60  -0.20350 -1.0 2.0
   67    51    55    60   0.29750  1.0 3.0
   67    71   -53    49   1.36600  1.0 1.0
   67    71   -53    49  -0.11450 -1.0 2.0
   67    71   -53    49   0.24250  1.0 3.0
   67    71    53    54   0.19200  1.0 3.0
   67    71    53    56   1.69300  1.0 1.0
   67    71    53    56  -0.48450 -1.0 2.0
   68    67    71    72   0.13050  1.0 3.0
   68    67    71    73   0.13050  1.0 3.0
   68    67    71    53   0.17350  1.0 3.0
   71    53    56    57  -0.11600  1.0 1.0
   71    53    56    57  -0.09450 -1.0 2.0
   71    53    56    57   0.21250  1.0 3.0
   72    71    53    49   0.15000  1.0 3.0
   72    71    53    54   0.15000  1.0 3.0
   72    71    53    56   0.23400  1.0 3.0
   73    71    53    49   0.15000  1.0 3.0
   73    71    53    54   0.15000  1.0 3.0
   73    71    53    56   0.23400  1.0 3.0
   53    49    51    52   0.15000  1.0 3.0
   53    49    51    55   0.34400  1.0 1.0
   53    49    51    55   0.09450 -1.0 2.0
   53    49    51    55   0.11100  1.0 3.0
   53    49   -51    67   1.36600  1.0 1.0
   53    49   -51    67  -0.11450 -1.0 2.0
   53    49   -51    67   0.24250  1.0 3.0
   54    53    56    57   0.19450  1.0 3.0
   60    55    58    59   7.00000 -1.0 2.0
   60    55    58    63   7.00000 -1.0 2.0
   60    66    69    70   3.00000 -1.0 2.0
   60    66    69    74   1.63150  1.0 1.0
   60    66    69    74   2.92000 -1.0 2.0
   61    60    66    69   0.08050  1.0 3.0
   62    60    66    69   0.08050  1.0 3.0
   66    69    74    75   0.36750  1.0 3.0
   66    69    74    77   0.36750  1.0 3.0
   66    69    74    81   0.30750  1.0 1.0
   66    69    74    81   1.13850 -1.0 2.0
   66    69    74    81   0.38850  1.0 3.0
   69    74    75    76  -0.11250  1.0 3.0
   69    74    75    45  -0.95700  1.0 1.0
   69    74    75    45  -0.18200 -1.0 2.0
   69    74    75    45   0.29450  1.0 3.0
   69    74    75    83  -0.95700  1.0 1.0
   69    74    75    83  -0.18200 -1.0 2.0
   69    74    75    83   0.29450  1.0 3.0
   69    74    77    78  -0.11250  1.0 3.0
   69    74    77    79  -0.11250  1.0 3.0
   69    74    77    80  -0.11250  1.0 3.0
   69    74    81    82   0.91850  1.0 1.0
   69    74    81    82   0.57950  1.0 3.0
   70    69    74    75   0.30150 -1.0 2.0
   70    69    74    77   0.30150 -1.0 2.0
   70    69    74    81   0.30150 -1.0 2.0
   74    75    45    38   0.34400  1.0 1.0
   74    75    45    38   0.09450 -1.0 2.0
   74    75    45    38   0.11100  1.0 3.0
   74    75    45    46   0.15000  1.0 3.0
   74    75    45    47   0.15000  1.0 3.0
   74    75    83    84   0.15000  1.0 3.0
   74    75    83    85   0.15000  1.0 3.0
   74    75    83    86   0.15000  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   0.15000  1.0 3.0
   75    74    81    82  -0.11600  1.0 1.0
   75    74    81    82  -0.09450 -1.0 2.0
   75    74    81    82   0.21250  1.0 3.0
   76    75    45    38   0.15000  1.0 3.0
   76    75    45    46   0.15000  1.0 3.0
   76    75    45    47   0.15000  1.0 3.0
   76    75    83    84   0.15000  1.0 3.0
   76    75    83    85   0.15000  1.0 3.0
   76    75    83    86   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    75    83    84   0.15000  1.0 3.0
   45    75    83    85   0.15000  1.0 3.0
   45    75    83    86   0.15000  1.0 3.0
   83    75    45    38   0.34400  1.0 1.0
   83    75    45    38   0.09450 -1.0 2.0
   83    75    45    38   0.11100  1.0 3.0
   83    75    45    46   0.15000  1.0 3.0
   83    75    45    47   0.15000  1.0 3.0
   77    74    75    76   0.15000  1.0 3.0
   77    74    75    45   0.56750  1.0 1.0
   77    74    75    45  -0.07550 -1.0 2.0
   77    74    75    45   0.20000  1.0 3.0
   77    74    75    83   0.56750  1.0 1.0
   77    74    75    83  -0.07550 -1.0 2.0
   77    74    75    83   0.20000  1.0 3.0
   77    74    81    82  -0.11600  1.0 1.0
   77    74    81    82  -0.09450 -1.0 2.0
   77    74    81    82   0.21250  1.0 3.0
   81    74    75    76   0.23400  1.0 3.0
   81    74    75    45   0.86500  1.0 1.0
   81    74    75    45  -0.17500 -1.0 2.0
   81    74    75    45   0.20800  1.0 3.0
   81    74    75    83   0.86500  1.0 1.0
   81    74    75    83  -0.17500 -1.0 2.0
   81    74    75    83   0.20800  1.0 3.0
   81    74    77    78   0.23400  1.0 3.0
   81    74    77    79   0.23400  1.0 3.0
   81    74    77    80   0.23400  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   33    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   51    60    55    58   1.10000 -1.0 2.0
   63    59    58    55   1.10000 -1.0 2.0
   66    74    69    70  10.50000 -1.0 2.0
END
