* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    162    267     491
    1     0 S   NP   _N1_     1    28.79687    93.49199   -20.95950
    2     1 S   H    _HN1     2     1.02957    98.41911    21.41879
    3     1 S   H    _H1_     3     1.02843    27.57226   132.34501
    4     1 S   H    _H2_     4     1.02778    86.61340   -86.61052
    5     1 S   CT   _CA1     5     1.50068   136.95582   153.92706
    6     5 S   HC   _HA1     6     1.09566   105.32581    48.80939
    7     5 S   CO3  _C1_     7     1.53815   112.29958   -71.64673
    8     7 S   O2Z  _O11     8     1.26371   114.99782   -46.14431
    9     7 S   O2Z  _O12     9     1.26218   114.81980   133.20083
   10     5 S   CT   _CB1    10     1.53064   107.49747   166.87760
   11    10 S   HC   HB11    11     1.09820   109.57002   -50.05906
   12    10 S   HC   HB12    12     1.09832   110.28509    66.50967
   13    10 S   CT   _CG1    13     1.53036   112.63581  -171.16404
   14    13 S   HC   HG11    14     1.09561   110.40334   -58.19626
   15    13 S   HC   HG12    15     1.09614   110.19077    61.06358
   16    13 S   C    _CD1    16     1.51739   112.02878  -178.52873
   17    16 S   O    _OE1    17     1.22734   123.14422   -10.79353
   18    16 S   N    _N2_    18     1.38618   111.73484   169.36298
   19    18 S   H    _HN2    19     1.01571   119.14722     2.88188
   20    18 S   CT1  _CA2    20     1.46245   123.21263  -175.67473
   21    20 S   HC   _HA2    21     1.09727   109.37393   -10.84513
   22    20 S   C    _C2_    22     1.53331   108.46397  -126.75376
   23    22 S   O    _O2_    23     1.23010   122.27075  -145.00810
   24    20 S   CT   _CB2    32     1.53480   111.32224   110.89352
   25    24 S   HC   HB21    33     1.09596   109.70948    58.42165
   26    24 S   HC   HB22    34     1.09497   110.37554   177.43418
   27    22 S   N    _N3_    24     1.38520   113.34764    42.27341
   28    27 S   H    _HN3    25     1.01525   118.91295    -0.46772
   29    24 S   S    _SG2    35     1.82723   111.61786   -62.13608
   30    27 S   CT   _CA3    26     1.45446   123.39415   175.13800
   31    30 S   HC   HA31    27     1.09527   109.17334    25.66461
   32    30 S   HC   HA32    28     1.09494   107.13956   142.65727
   33    29 S   CT   _C20    36     1.86024    99.63837   172.80298
   34    33 S   HC   _H7_    37     1.09616   107.09782   -24.97692
   35    30 S   CO3  _C3_    29     1.52929   113.15028   -97.76741
   36    35 S   O2Z  _O31    30     1.26399   115.41586   -44.34041
   37    35 S   O2Z  _O32    31     1.26357   114.97546   136.59637
   38    33 S   CM   _C19    38     1.50911   104.72538    90.02898
   39    38 S   HC   _H22    39     1.08840   117.25315   -80.82223
   40    38 S   CMA  _C18    40     1.34727   123.17519    97.51301
   41    40 S   OM   _O35    41     1.25920   130.87693  -178.23519
   42    40 S   CM   _C17    42     1.46280   117.57096     1.77520
   43    42 S   HC   _H21    43     1.09000   117.88727  -169.50727
   44    42 S   CM   _C16    44     1.35029   123.15545    16.47449
   45    44 S   CT   _C15    45     1.50323   119.97248   168.75209
   46    45 S   HC   _H19    46     1.09760   108.41137   -97.58004
   47    45 S   HC   _H20    47     1.09703   111.08177    18.91176
   48    45 S   CT   _C14    48     1.51895   113.28458   141.43637
   49    48 S   HC   _H17    49     1.09478   107.22784   175.97766
   50    48 S   HC   _H18    50     1.09776   109.66489   -68.27509
   51    48 S   CT   _C9_    51     1.54015   112.34073    54.41985
   52    51 S   HC   _H5_    52     1.09585   108.22902    61.21734
   53    51 S   CT   _C10    53     1.55866   110.64527  -179.18339
   54    53 S   HC   _H6_    54     1.10165   107.03923    60.04640
   55    51 S   CT   _C8_    70     1.56242   109.04221   -58.10098
   56    55 S   HC   _H4_    71     1.09827   102.93972   -61.49465
   57    53 S   CT   _C11    55     1.52774   115.15577   -57.27061
   58    57 S   HC   _H13    56     1.09437   111.54641    56.58259
   59    57 S   HC   _H14    57     1.09568   110.82164   -61.62952
   60    33 S   CT   _C21    72     1.59010   115.51721  -144.90294
   61    57 S   CT   _C12    58     1.52026   110.16113   175.89415
   62    61 S   HC   _H15    59     1.09674   109.15427   -78.40463
   63    61 S   HC   _H16    60     1.09591   108.67363   164.47220
   64    60 S   CT   _C22    73     1.55652   107.56039   163.34774
   65    64 S   HC   _H23    74     1.09428   111.93637   -48.06085
   66    64 S   HC   _H24    75     1.09493   112.01372  -169.66237
   67    64 S   HC   _H25    76     1.09721   112.03934    70.43342
   68    61 S   CO4  _C13    61     1.50775   116.41884    42.08685
   69    68 S   O    _O33    62     1.22902   121.13801   159.12508
   70    68 S   OS   _O34    63     1.35387   117.21139   -26.67820
   71    53 S   CT   _C5_    64     1.54005   112.46190   177.92557
   72    71 S   CT   _C6_    65     1.54075   108.60310   -57.96783
   73    72 S   HC   _H11    66     1.09845   108.94058   -65.90577
   74    72 S   HC   _H12    67     1.09802   109.28158   179.40324
   75    71 S   CT   _C4_    79     1.54179   114.61954    67.38782
   76    75 S   HC   _H8_    80     1.09548   111.76055    71.42295
   77    75 S   HC   _H9_    81     1.09173   113.38259   -50.21738
   78    75 S   HC   _H10    82     1.09656   110.35526  -171.74322
   79    72 S   CT   _C7_    68     1.53141   113.69969    55.86059
   80    79 S   HC   _H3_    69     1.09446   108.01174  -174.25021
   81    79 S   OH   _O36    77     1.42098   108.74686    70.51019
   82    81 S   HO   _H26    78     0.97246   107.78107    59.40859
  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
  17   7   2   1   1   9   4   6   3   9   3  15  11   6   5  12
   5   4  18   8  21   9  15   6  11   6   5   8   6   4   3   4
   2   1   1   5   2   9  10  10   5   4   4   2   1   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    55    60    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    51    79    55    56    60    64    65    66    67  
   38    39    40    44    55    60    64  
   36    37  
   37  
    0  
   39    40    41    42    43    44    55    60    64  
   40    41    42    60  
   41    42    43    44    45    60  
   42    43    44  
   43    44    45    46    47    48    55    60    64  
   44    45    60  
   45    46    47    48    49    50    51    79    55    56    60    64    65    66    67  
   46    47    48    49    50    51    52    53    55    60    64  
   47    48    49    50    51    60  
   48    49    50    51    60  
   49    50    51    52    53    54    57    71    79    55    56    60  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    57    58    59    61    70    71    72    79    80    55    56    60    64    81    75  
   53    54    57    71    79    55    56    60  
   54    57    58    59    61    62    63    68    70    71    72    73    74    79    55    56    60    75    76    77    78  
   57    58    59    61    70    71    72    55    75  
   56    60    64    65    66    67    81    82    57    71    72    73    74    79    80  
   60    64    81    72    79    80  
   58    59    61    62    63    68    69    70    71    72    75  
   59    61    62    63    68    71  
   61    62    63    68    71  
   64    65    66    67    81    72    79    80  
   62    63    68    69    70    71  
   63    68    69    70  
   68    69    70  
   65    66    67    79  
   66    67  
   67  
    0  
   69    70    71    72    75  
   70    71  
   71    72    73    74    79    75    76    77    78  
   72    73    74    79    80    81    75    76    77    78  
   73    74    79    80    81    82    75    76    77    78  
   74    79    80    81    75  
   79    80    81    75  
   76    77    78    79  
   77    78  
   78  
    0  
   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   0.107500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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
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    60   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   317.000  1.510
   44    60   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    71   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   317.000  1.522
   68    69   570.000  1.229
   68    70   214.000  1.327
   70    71   320.000  1.410
   71    72   268.000  1.529
   71    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    79   268.000  1.529
   79    80   340.000  1.090
   79    55   268.000  1.529
   79    81   320.000  1.410
   55    56   340.000  1.090
   55    60   268.000  1.529
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   81    82   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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    60    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    60    44    70.00000  112.02700
   33    60    55    58.35000  112.70000
   33    60    64    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    70.00000  124.00000
   42    44    60    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    70.00000  112.02700
   44    60    55    70.00000  112.02700
   44    60    64    70.00000  112.02700
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    57    58.35000  112.70000
   51    53    71    58.35000  112.70000
   51    55    79    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    60    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    61    58.35000  112.70000
   53    71    70    50.00000  109.50000
   53    71    72    58.35000  112.70000
   53    71    75    58.35000  112.70000
   57    53    54    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    68    63.00000  111.10000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    68    69    80.00000  120.40000
   61    68    70    81.00000  111.40000
   63    61    62    33.00000  107.80000
   68    61    62    35.00000  109.50000
   68    61    63    35.00000  109.50000
   68    70    71    83.00000  116.90000
   70    68    69    83.00000  123.40000
   70    71    72    50.00000  109.50000
   70    71    75    50.00000  109.50000
   71    53    54    37.50000  110.70000
   71    53    57    58.35000  112.70000
   71    72    73    37.50000  110.70000
   71    72    74    37.50000  110.70000
   71    72    79    58.35000  112.70000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    55    58.35000  112.70000
   72    79    81    50.00000  109.50000
   74    72    73    33.00000  107.80000
   79    72    73    37.50000  110.70000
   79    72    74    37.50000  110.70000
   79    55    56    37.50000  110.70000
   79    55    60    58.35000  112.70000
   79    81    82    55.00000  108.50000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    79    80    37.50000  110.70000
   55    60    64    58.35000  112.70000
   60    33    34    37.50000  110.70000
   60    33    38    70.00000  112.02700
   60    44    45    65.00000  117.92700
   60    55    56    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   81    79    80    35.00000  109.50000
   81    79    55    50.00000  109.50000
   75    71    72    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    60    44   0.56750  1.0 1.0
   29    33    60    44  -0.07550 -1.0 2.0
   29    33    60    44   0.20000  1.0 3.0
   29    33    60    55   0.44750  1.0 1.0
   29    33    60    55  -0.17800 -1.0 2.0
   29    33    60    55   0.20200  1.0 3.0
   29    33    60    64   0.44750  1.0 1.0
   29    33    60    64  -0.17800 -1.0 2.0
   29    33    60    64   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    60    64    65   0.15000  1.0 3.0
   33    60    64    66   0.15000  1.0 3.0
   33    60    64    67   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    60    44   0.15000  1.0 3.0
   34    33    60    55   0.15000  1.0 3.0
   34    33    60    64   0.15000  1.0 3.0
   38    33    60    44   0.31000  1.0 1.0
   38    33    60    44   0.14700 -1.0 2.0
   38    33    60    44   0.07550  1.0 3.0
   38    33    60    55   0.34400  1.0 1.0
   38    33    60    55   0.09450 -1.0 2.0
   38    33    60    55   0.11100  1.0 3.0
   38    33    60    64   0.34400  1.0 1.0
   38    33    60    64   0.09450 -1.0 2.0
   38    33    60    64   0.11100  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    60   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44    45    46   0.00000  1.0 1.0
   42    44    45    47   0.00000  1.0 1.0
   42    44    45    48   0.09850  1.0 1.0
   42    44    45    48   0.15250 -1.0 2.0
   42    44    45    48  -0.50650  1.0 3.0
   42    44   -60    33   0.09850  1.0 1.0
   42    44   -60    33   0.15250 -1.0 2.0
   42    44   -60    33  -0.50650  1.0 3.0
   42    44    60    55   0.09850  1.0 1.0
   42    44    60    55   0.15250 -1.0 2.0
   42    44    60    55  -0.50650  1.0 3.0
   42    44    60    64   0.09850  1.0 1.0
   42    44    60    64   0.15250 -1.0 2.0
   42    44    60    64  -0.50650  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    60   7.00000 -1.0 2.0
   44    45    48    49   0.15000  1.0 3.0
   44    45    48    50   0.15000  1.0 3.0
   44    45    48    51   0.34400  1.0 1.0
   44    45    48    51   0.09450 -1.0 2.0
   44    45    48    51   0.11100  1.0 3.0
   44    60    64    65   0.15000  1.0 3.0
   44    60    64    66   0.15000  1.0 3.0
   44    60    64    67   0.15000  1.0 3.0
   45    44    60    33   0.46850  1.0 1.0
   45    44    60    33   0.08550 -1.0 2.0
   45    44    60    33   0.09800  1.0 3.0
   45    44    60    55   0.46850  1.0 1.0
   45    44    60    55   0.08550 -1.0 2.0
   45    44    60    55   0.09800  1.0 3.0
   45    44    60    64   0.46850  1.0 1.0
   45    44    60    64   0.08550 -1.0 2.0
   45    44    60    64   0.09800  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.56750  1.0 1.0
   45    48    51    53  -0.07550 -1.0 2.0
   45    48    51    53   0.20000  1.0 3.0
   45    48   -51    55   0.56750  1.0 1.0
   45    48   -51    55  -0.07550 -1.0 2.0
   45    48   -51    55   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51    53    54   0.15000  1.0 3.0
   48    51    53    57   0.56750  1.0 1.0
   48    51    53    57  -0.07550 -1.0 2.0
   48    51    53    57   0.20000  1.0 3.0
   48    51    53    71   0.56750  1.0 1.0
   48    51    53    71  -0.07550 -1.0 2.0
   48    51    53    71   0.20000  1.0 3.0
   48    51    55    79   0.56750  1.0 1.0
   48    51    55    79  -0.07550 -1.0 2.0
   48    51    55    79   0.20000  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    60   0.56750  1.0 1.0
   48    51    55    60  -0.07550 -1.0 2.0
   48    51    55    60   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    55   0.15000  1.0 3.0
   51    53    57    58   0.15000  1.0 3.0
   51    53    57    59   0.15000  1.0 3.0
   51    53    57    61   0.56750  1.0 1.0
   51    53    57    61  -0.07550 -1.0 2.0
   51    53    57    61   0.20000  1.0 3.0
   51    53    71    70   0.62750  1.0 1.0
   51    53    71    70  -0.30950 -1.0 2.0
   51    53    71    70   0.27300  1.0 3.0
   51    53    71    72   0.56750  1.0 1.0
   51    53    71    72  -0.07550 -1.0 2.0
   51    53    71    72   0.20000  1.0 3.0
   51    53    71    75   0.56750  1.0 1.0
   51    53    71    75  -0.07550 -1.0 2.0
   51    53    71    75   0.20000  1.0 3.0
   51    55    60    33   0.56750  1.0 1.0
   51    55    60    33  -0.07550 -1.0 2.0
   51    55    60    33   0.20000  1.0 3.0
   51    55   -60    44   0.34400  1.0 1.0
   51    55   -60    44   0.09450 -1.0 2.0
   51    55   -60    44   0.11100  1.0 3.0
   51    55    60    64   0.56750  1.0 1.0
   51    55    60    64  -0.07550 -1.0 2.0
   51    55    60    64   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    57   0.15000  1.0 3.0
   52    51    53    71   0.15000  1.0 3.0
   52    51    55    79   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    60   0.15000  1.0 3.0
   53    51    55    79   0.56750  1.0 1.0
   53    51    55    79  -0.07550 -1.0 2.0
   53    51    55    79   0.20000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    60   0.56750  1.0 1.0
   53    51    55    60  -0.07550 -1.0 2.0
   53    51    55    60   0.20000  1.0 3.0
   53    57    61    62   0.15000  1.0 3.0
   53    57    61    63   0.15000  1.0 3.0
   53    57    61    68  -0.95700  1.0 1.0
   53    57    61    68  -0.18200 -1.0 2.0
   53    57    61    68   0.29450  1.0 3.0
   53    71    72    73   0.15000  1.0 3.0
   53    71    72    74   0.15000  1.0 3.0
   53    71   -72    79   0.56750  1.0 1.0
   53    71   -72    79  -0.07550 -1.0 2.0
   53    71   -72    79   0.20000  1.0 3.0
   53    71    75    76   0.15000  1.0 3.0
   53    71    75    77   0.15000  1.0 3.0
   53    71    75    78   0.15000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    61   0.15000  1.0 3.0
   54    53    71    70   0.23400  1.0 3.0
   54    53    71    72   0.15000  1.0 3.0
   54    53    71    75   0.15000  1.0 3.0
   57    53    71    70   0.62750  1.0 1.0
   57    53    71    70  -0.30950 -1.0 2.0
   57    53    71    70   0.27300  1.0 3.0
   57    53    71    72   0.56750  1.0 1.0
   57    53    71    72  -0.07550 -1.0 2.0
   57    53    71    72   0.20000  1.0 3.0
   57    53    71    75   0.56750  1.0 1.0
   57    53    71    75  -0.07550 -1.0 2.0
   57    53    71    75   0.20000  1.0 3.0
   57    61    68    69   0.30150 -1.0 2.0
   57    61   -68    70   0.36750  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    68  -0.11250  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    63   0.15000  1.0 3.0
   59    57    61    68  -0.11250  1.0 3.0
   61    68    70    71   1.63150  1.0 1.0
   61    68    70    71   2.92000 -1.0 2.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    70   0.00000  1.0 1.0
   63    61    68    69   0.00000  1.0 1.0
   63    61    68    70   0.00000  1.0 1.0
   68    70   -71    53  -0.25900  1.0 1.0
   68    70   -71    53  -0.47000 -1.0 2.0
   68    70   -71    53   0.11750  1.0 3.0
   68    70    71    72  -0.25900  1.0 1.0
   68    70    71    72  -0.47000 -1.0 2.0
   68    70    71    72   0.11750  1.0 3.0
   68    70    71    75  -0.25900  1.0 1.0
   68    70    71    75  -0.47000 -1.0 2.0
   68    70    71    75   0.11750  1.0 3.0
   69    68    70    71   3.00000 -1.0 2.0
   70    71    72    73   0.23400  1.0 3.0
   70    71    72    74   0.23400  1.0 3.0
   70    71    72    79   0.62750  1.0 1.0
   70    71    72    79  -0.30950 -1.0 2.0
   70    71    72    79   0.27300  1.0 3.0
   70    71    75    76   0.23400  1.0 3.0
   70    71    75    77   0.23400  1.0 3.0
   70    71    75    78   0.23400  1.0 3.0
   71    53    57    58   0.15000  1.0 3.0
   71    53    57    59   0.15000  1.0 3.0
   71    53   -57    61   0.56750  1.0 1.0
   71    53   -57    61  -0.07550 -1.0 2.0
   71    53   -57    61   0.20000  1.0 3.0
   71    72    79    80   0.15000  1.0 3.0
   71    72    79    55   0.56750  1.0 1.0
   71    72    79    55  -0.07550 -1.0 2.0
   71    72    79    55   0.20000  1.0 3.0
   71    72    79    81   0.86500  1.0 1.0
   71    72    79    81  -0.17500 -1.0 2.0
   71    72    79    81   0.20800  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    78   0.15000  1.0 3.0
   72    79   -55    51   0.56750  1.0 1.0
   72    79   -55    51  -0.07550 -1.0 2.0
   72    79   -55    51   0.20000  1.0 3.0
   72    79    55    56   0.15000  1.0 3.0
   72    79    55    60   0.56750  1.0 1.0
   72    79    55    60  -0.07550 -1.0 2.0
   72    79    55    60   0.20000  1.0 3.0
   72    79    81    82  -0.11600  1.0 1.0
   72    79    81    82  -0.09450 -1.0 2.0
   72    79    81    82   0.21250  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    55   0.15000  1.0 3.0
   73    72    79    81   0.23400  1.0 3.0
   74    72    79    80   0.15000  1.0 3.0
   74    72    79    55   0.15000  1.0 3.0
   74    72    79    81   0.23400  1.0 3.0
   79    55    60    33   0.56750  1.0 1.0
   79    55    60    33  -0.07550 -1.0 2.0
   79    55    60    33   0.20000  1.0 3.0
   79    55    60    44   0.34400  1.0 1.0
   79    55    60    44   0.09450 -1.0 2.0
   79    55    60    44   0.11100  1.0 3.0
   79    55    60    64   0.56750  1.0 1.0
   79    55    60    64  -0.07550 -1.0 2.0
   79    55    60    64   0.20000  1.0 3.0
   80    79    55    51   0.15000  1.0 3.0
   80    79    55    56   0.15000  1.0 3.0
   80    79    55    60   0.15000  1.0 3.0
   80    79    81    82   0.19450  1.0 3.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    57   0.56750  1.0 1.0
   55    51    53    57  -0.07550 -1.0 2.0
   55    51    53    57   0.20000  1.0 3.0
   55    51   -53    71   0.56750  1.0 1.0
   55    51   -53    71  -0.07550 -1.0 2.0
   55    51   -53    71   0.20000  1.0 3.0
   55    79    81    82  -0.11600  1.0 1.0
   55    79    81    82  -0.09450 -1.0 2.0
   55    79    81    82   0.21250  1.0 3.0
   55    60    64    65   0.15000  1.0 3.0
   55    60    64    66   0.15000  1.0 3.0
   55    60    64    67   0.15000  1.0 3.0
   56    55    60    33   0.15000  1.0 3.0
   56    55    60    44   0.15000  1.0 3.0
   56    55    60    64   0.15000  1.0 3.0
   60    33    38    39   0.00000  1.0 1.0
   60    33   -38    40   0.09850  1.0 1.0
   60    33   -38    40   0.15250 -1.0 2.0
   60    33   -38    40  -0.50650  1.0 3.0
   60    44    45    46   0.34800  1.0 3.0
   60    44    45    47   0.34800  1.0 3.0
   60    44   -45    48   0.46850  1.0 1.0
   60    44   -45    48   0.08550 -1.0 2.0
   60    44   -45    48   0.09800  1.0 3.0
   81    79    55    51   0.86500  1.0 1.0
   81    79    55    51  -0.17500 -1.0 2.0
   81    79    55    51   0.20800  1.0 3.0
   81    79    55    56   0.23400  1.0 3.0
   81    79    55    60   0.86500  1.0 1.0
   81    79    55    60  -0.17500 -1.0 2.0
   81    79    55    60   0.20800  1.0 3.0
   75    71    72    73   0.15000  1.0 3.0
   75    71    72    74   0.15000  1.0 3.0
   75    71    72    79   0.56750  1.0 1.0
   75    71    72    79  -0.07550 -1.0 2.0
   75    71    72    79   0.20000  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    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   45    60    44    42   1.10000 -1.0 2.0
   61    70    68    69  10.50000 -1.0 2.0
END
