* LIGAND DATABASE FILE (OPLS2005)
*
001      80    80    144    211     419
    1     0 S   NP   _N1_     1    28.92352    92.09349   -26.63845
    2     1 S   H    _HN1     2     1.02833    13.37524  -141.92171
    3     1 S   H    _H1_     3     1.02775   119.33312  -109.06295
    4     1 S   H    _H2_     4     1.02954    95.86141     5.79295
    5     1 S   CT   _CA1     5     1.50147   109.37344   119.83201
    6     5 S   HC   _HA1     6     1.09576   105.20185    73.46299
    7     5 S   CO3  _C1_     7     1.53778   112.22067   -46.70503
    8     7 S   O2Z  _O11     8     1.26373   114.99356   -46.17596
    9     7 S   O2Z  _O12     9     1.26219   114.92463   132.69360
   10     5 S   CT   _CB1    10     1.53073   107.39022  -168.67010
   11    10 S   HC   HB11    11     1.09832   109.34075   -50.06374
   12    10 S   HC   HB12    12     1.09812   110.46217    66.49647
   13    10 S   CT   _CG1    13     1.53016   112.66134  -171.06504
   14    13 S   HC   HG11    14     1.09590   110.58127   -64.70694
   15    13 S   HC   HG12    15     1.09643   109.84771    54.48825
   16    13 S   C    _CD1    16     1.51847   112.16597   174.86443
   17    16 S   O    _OE1    17     1.22781   123.28829     3.39436
   18    16 S   N    _N2_    18     1.38465   111.81122  -176.65584
   19    18 S   H    _HN2    19     1.01771   119.07020     3.29545
   20    18 S   CT1  _CA2    20     1.45624   122.86799   178.16570
   21    20 S   HC   _HA2    21     1.09707   108.52440    27.82102
   22    20 S   C    _C2_    22     1.52895   107.64369   -89.06412
   23    22 S   O    _O2_    23     1.22916   123.10273   -26.41463
   24    20 S   CT   _CB2    32     1.53328   112.49647   150.99686
   25    24 S   HC   HB21    33     1.09436   110.31110    52.44693
   26    24 S   HC   HB22    34     1.09152   109.65064   170.33074
   27    22 S   N    _N3_    24     1.38686   112.22508   156.55960
   28    27 S   H    _HN3    25     1.01561   119.67934     0.58651
   29    24 S   S    _SG2    35     1.82599   110.70694   -67.63665
   30    27 S   CT   _CA3    26     1.45370   122.77750   174.36247
   31    30 S   HC   HA31    27     1.09539   108.87993    32.65284
   32    30 S   HC   HA32    28     1.09473   107.25757   149.82014
   33    29 S   CT   _C17    36     1.85315   102.21542  -150.07789
   34    33 S   OM   _O38    37     1.32039   108.03037  -177.74814
   35    30 S   CO3  _C3_    29     1.53054   113.31835   -90.31857
   36    35 S   O2Z  _O31    30     1.26386   115.71904   -35.67663
   37    35 S   O2Z  _O32    31     1.26389   114.77773   145.10303
   38    33 S   CT   _C16    38     1.55361   111.87415   -58.42698
   39    38 S   HC   _H14    39     1.10127   110.60237  -177.73152
   40    38 S   HC   _H15    40     1.09729   110.16101    67.63427
   41    33 S   CT   _C18    71     1.55937   112.07737    63.69479
   42    41 S   HC   _H16    72     1.10151   110.87427   169.23210
   43    41 S   HC   _H17    73     1.09742   109.68931   -76.45950
   44    38 S   CO4  _C15    41     1.53105   117.25869   -56.58580
   45    44 S   O    _O36    42     1.23278   121.57466   -71.57403
   46    41 S   CO4  _C19    74     1.52699   116.33688    48.09333
   47    46 S   O    _O37    75     1.22517   124.01956    62.74523
   48    44 S   CT   _C14    43     1.52527   117.63638   108.27627
   49    48 S   HC   _H12    44     1.09615   105.58498   -99.85558
   50    48 S   HC   _H13    45     1.09574   108.84274    16.10563
   51    46 S   S    _S1_    76     1.76945   114.36857  -119.21113
   52    48 S   CT   _C13    46     1.55121   113.69990   137.95160
   53    51 S   CT   _C20    77     1.80580    99.70143   153.67332
   54    53 S   HC   _H18    78     1.09318   109.26771  -176.35530
   55    53 S   HC   _H19    79     1.09323   110.60483    64.24121
   56    53 S   HC   _H20    80     1.09346   110.42032   -57.04047
   57    52 S   CM   _C8_    47     1.52385   111.11697  -175.73258
   58    52 S   OH   _O39    69     1.43356   108.88257    67.06493
   59    58 S   HO   _H21    70     0.97380   107.99697   -52.88343
   60    57 S   CMA  _C9_    48     1.35763   126.36308   136.59679
   61    60 S   OM   _O40    49     1.26463   131.01579  -179.90721
   62    57 S   CO4  _C7_    58     1.50433   116.32252   -44.79834
   63    62 S   O    _O34    59     1.22997   120.02309   -63.69601
   64    60 S   CT   _C10    50     1.52275   119.53387     1.91908
   65    64 S   HC   _H8_    51     1.09962   110.84107   130.31628
   66    64 S   HC   _H9_    52     1.09804   110.60671  -109.41336
   67    62 S   CT   _C6_    60     1.51548   117.59603   115.50596
   68    67 S   HC   _H6_    61     1.09514   107.33609    99.06427
   69    67 S   HC   _H7_    62     1.09518   110.13026   -19.54774
   70    64 S   CO4  _C11    53     1.51156   113.05191    10.92946
   71    70 S   O    _O35    54     1.23082   121.75047   144.67486
   72    67 S   CO4  _C5_    63     1.51227   114.86233  -140.50145
   73    72 S   O    _O33    64     1.23019   122.73108    22.18019
   74    52 S   CT   _C12    55     1.53621   109.73818   -51.28577
   75    74 S   HC   _H10    56     1.09592   111.49699    76.49222
   76    74 S   HC   _H11    57     1.09672   111.76410   -44.94996
   77    72 S   CT   _C4_    65     1.50624   116.29952  -160.07723
   78    77 S   HC   _H3_    66     1.09272   109.58313    62.21569
   79    77 S   HC   _H4_    67     1.09267   109.56344   -58.81834
   80    77 S   HC   _H5_    68     1.09340   109.75903  -178.39416
  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  10   5   4   3
  13   8   2   1   1  12   5   4   7   4   3   8   4   6   2  12
   5   4   4  14   3   2   1   1  17   7   1  10   5   9   4   7
   4   3   8   4   3   4   3   5   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    48    41    42    43    46    47    51  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    48    49    50    52    41    42    43    46  
   40    44    45    48    41  
   44    45    48    41  
   42    43    46    47    51    53    44  
   43    46    47    51  
   46    47    51  
   45    48    49    50    52    57    74    58  
   48    49    50    52  
   47    51    53    54    55    56  
   51    53  
   49    50    52    57    60    70    74    75    76    62    58    59  
   50    52    57    74    58  
   52    57    74    58  
   53    54    55    56  
   57    60    61    64    70    71    74    75    76    62    63    67    58    59  
   54    55    56  
   55    56  
   56  
    0  
   60    61    64    65    66    70    74    75    76    62    63    67    68    69    72    58    59  
   59    60    62    70    74    75    76  
   74  
   61    64    65    66    70    71    74    62    63    67  
   64    65    66    70    62  
   63    67    68    69    72    73    77    64    74  
   67    68    69    72  
   65    66    70    71    74    75    76  
   66    70    71    74  
   70    71    74  
   68    69    72    73    77    78    79    80  
   69    72    73    77  
   72    73    77  
   71    74    75    76  
   74    75    76  
   73    77    78    79    80  
   77    78    79    80  
   75    76  
   76  
    0  
   78    79    80  
   79    80  
   80  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   61   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   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   570.000  1.307
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.522
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    57   317.000  1.510
   52    74   268.000  1.529
   52    58   320.000  1.410
   57    60   465.000  1.376
   57    62   320.000  1.462
   60    61   745.000  1.250
   60    64   270.000  1.512
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   317.000  1.522
   70    71   570.000  1.229
   70    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   62    63   570.000  1.229
   62    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.522
   72    73   570.000  1.229
   72    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   58    59   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.522
   46    47   570.000  1.229
   46    51   210.000  1.799
   51    53   222.000  1.810
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    63.00000  111.10000
   38    33    34    50.00000  109.50000
   38    44    45    80.00000  120.40000
   38    44    48    70.00000  116.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    52    63.00000  111.10000
   48    44    45    80.00000  120.40000
   48    52    57    70.00000  112.02700
   48    52    74    58.35000  112.70000
   48    52    58    50.00000  109.50000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    57    60    70.00000  124.00000
   52    57    62    65.00000  116.34900
   52    74    70    63.00000  111.10000
   52    74    75    37.50000  110.70000
   52    74    76    37.50000  110.70000
   52    58    59    55.00000  108.50000
   57    60    61    65.00000  137.10300
   57    60    64    65.00000  122.18000
   57    62    63    80.00000  123.72100
   57    62    67    65.00000  118.62400
   60    64    65    45.00000  110.52000
   60    64    66    45.00000  110.52000
   60    64    70    70.00000  109.06800
   64    60    61    85.00000  112.85300
   64    70    71    80.00000  120.40000
   64    70    74    70.00000  116.00000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   74    52    57    70.00000  112.02700
   74    70    71    80.00000  120.40000
   76    74    75    33.00000  107.80000
   62    57    60    60.00000  125.92000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    72    75.00000  107.99600
   67    62    63    80.00000  120.40000
   67    72    73    80.00000  120.40000
   67    72    77    70.00000  116.00000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   77    72    73    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   58    52    57    90.00000  110.39200
   58    52    74    50.00000  109.50000
   41    33    34    50.00000  109.50000
   41    33    38    58.35000  112.70000
   41    46    47    80.00000  120.40000
   41    46    51    70.00000  114.16300
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    51    53    90.00000   96.72000
   51    46    47    80.00000  121.30200
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    48   0.60050  1.0 1.0
   33    38    44    48   0.05600 -1.0 2.0
   33    38    44    48   0.26150  1.0 3.0
   33    41    46    47   0.30150 -1.0 2.0
   33    41    46    51   0.00000  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    44  -0.09450  1.0 1.0
   34    33    38    44  -1.12950 -1.0 2.0
   34    33    38    44   0.54000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.23400  1.0 3.0
   34    33    41    46  -0.09450  1.0 1.0
   34    33    41    46  -1.12950 -1.0 2.0
   34    33    41    46   0.54000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46  -0.95700  1.0 1.0
   38    33    41    46  -0.18200 -1.0 2.0
   38    33    41    46   0.29450  1.0 3.0
   38    44    48    49   0.00000  1.0 1.0
   38    44    48    50   0.00000  1.0 1.0
   38    44    48    52   0.60050  1.0 1.0
   38    44    48    52   0.05600 -1.0 2.0
   38    44    48    52   0.26150  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    48   0.00000  1.0 1.0
   40    38    44    45   0.00000  1.0 1.0
   40    38    44    48   0.00000  1.0 1.0
   44    48    52    57  -0.98800  1.0 1.0
   44    48    52    57   0.48800 -1.0 2.0
   44    48    52    57   0.76800  1.0 3.0
   44    48    52    74  -0.95700  1.0 1.0
   44    48    52    74  -0.18200 -1.0 2.0
   44    48    52    74   0.29450  1.0 3.0
   44    48    52    58  -0.09450  1.0 1.0
   44    48    52    58  -1.12950 -1.0 2.0
   44    48    52    58   0.54000  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    48    52   0.30150 -1.0 2.0
   48    52    57    60   0.09850  1.0 1.0
   48    52    57    60   0.15250 -1.0 2.0
   48    52    57    60  -0.50650  1.0 3.0
   48    52    57    62   0.09700  1.0 1.0
   48    52    57    62   0.15600 -1.0 2.0
   48    52    57    62  -0.50800  1.0 3.0
   48    52    74    70  -0.95700  1.0 1.0
   48    52    74    70  -0.18200 -1.0 2.0
   48    52    74    70   0.29450  1.0 3.0
   48    52    74    75   0.15000  1.0 3.0
   48    52    74    76   0.15000  1.0 3.0
   48    52    58    59  -0.11600  1.0 1.0
   48    52    58    59  -0.09450 -1.0 2.0
   48    52    58    59   0.21250  1.0 3.0
   49    48    52    57   0.15000  1.0 3.0
   49    48    52    74   0.15000  1.0 3.0
   49    48    52    58   0.23400  1.0 3.0
   50    48    52    57   0.15000  1.0 3.0
   50    48    52    74   0.15000  1.0 3.0
   50    48    52    58   0.23400  1.0 3.0
   52    57    60    61   7.00000 -1.0 2.0
   52    57    60    64   7.00000 -1.0 2.0
   52    57    62    63  -0.64400  1.0 1.0
   52    57    62    63   0.26850 -1.0 2.0
   52    57    62    67   0.25700  1.0 1.0
   52    57    62    67   0.66200 -1.0 2.0
   52    57    62    67   0.04450  1.0 3.0
   57    52    74    70  -0.98800  1.0 1.0
   57    52    74    70   0.48800 -1.0 2.0
   57    52    74    70   0.76800  1.0 3.0
   57    52    74    75   0.15000  1.0 3.0
   57    52    74    76   0.15000  1.0 3.0
   57    52    58    59  -0.07800  1.0 1.0
   57    52    58    59  -0.21500 -1.0 2.0
   57    52    58    59  -0.03150  1.0 3.0
   57    60    64    65   0.00000  1.0 1.0
   57    60    64    66   0.00000  1.0 1.0
   57    60   -64    70  -0.51250  1.0 1.0
   57    60   -64    70  -0.88800 -1.0 2.0
   57    60   -64    70   0.08850  1.0 3.0
   57    62    67    68   0.00000  1.0 1.0
   57    62    67    69   0.00000  1.0 1.0
   57    62    67    72   0.65300  1.0 1.0
   57    62    67    72  -0.03850 -1.0 2.0
   57    62    67    72   0.33900  1.0 3.0
   60    57    62    63   1.00000 -1.0 2.0
   60    57    62    67  -0.33500  1.0 1.0
   60    57    62    67   1.06600 -1.0 2.0
   60    57    62    67  -0.14000  1.0 3.0
   60    64    70    71   0.30150 -1.0 2.0
   60    64    70    74   0.65300  1.0 1.0
   60    64    70    74  -0.03850 -1.0 2.0
   60    64    70    74   0.33900  1.0 3.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    66   0.00000  1.0 1.0
   61    60    64    70   0.09700  1.0 1.0
   61    60    64    70   0.15600 -1.0 2.0
   61    60    64    70  -0.50800  1.0 3.0
   64    70   -74    52   0.60050  1.0 1.0
   64    70   -74    52   0.05600 -1.0 2.0
   64    70   -74    52   0.26150  1.0 3.0
   64    70    74    75   0.00000  1.0 1.0
   64    70    74    76   0.00000  1.0 1.0
   65    64    70    71   0.00000  1.0 1.0
   65    64    70    74   0.00000  1.0 1.0
   66    64    70    71   0.00000  1.0 1.0
   66    64    70    74   0.00000  1.0 1.0
   71    70    74    52   0.30150 -1.0 2.0
   71    70    74    75   0.00000  1.0 1.0
   71    70    74    76   0.00000  1.0 1.0
   74    52   -57    60   0.09850  1.0 1.0
   74    52   -57    60   0.15250 -1.0 2.0
   74    52   -57    60  -0.50650  1.0 3.0
   74    52    57    62   0.09700  1.0 1.0
   74    52    57    62   0.15600 -1.0 2.0
   74    52    57    62  -0.50800  1.0 3.0
   74    52    58    59  -0.11600  1.0 1.0
   74    52    58    59  -0.09450 -1.0 2.0
   74    52    58    59   0.21250  1.0 3.0
   62    57    60    61   7.00000 -1.0 2.0
   62    57    60    64   7.00000 -1.0 2.0
   62    67    72    73   0.30150 -1.0 2.0
   62    67    72    77   0.65300  1.0 1.0
   62    67    72    77  -0.03850 -1.0 2.0
   62    67    72    77   0.33900  1.0 3.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    69   0.00000  1.0 1.0
   63    62    67    72   0.30150 -1.0 2.0
   67    72    77    78   0.00000  1.0 1.0
   67    72    77    79   0.00000  1.0 1.0
   67    72    77    80   0.00000  1.0 1.0
   68    67    72    73   0.00000  1.0 1.0
   68    67    72    77   0.00000  1.0 1.0
   69    67    72    73   0.00000  1.0 1.0
   69    67    72    77   0.00000  1.0 1.0
   73    72    77    78   0.00000  1.0 1.0
   73    72    77    79   0.00000  1.0 1.0
   73    72    77    80   0.00000  1.0 1.0
   58    52    57    60   0.67800  1.0 1.0
   58    52    57    60   0.47050 -1.0 2.0
   58    52    57    60  -0.62500  1.0 3.0
   58    52    57    62   0.09700  1.0 1.0
   58    52    57    62   0.15600 -1.0 2.0
   58    52    57    62  -0.50800  1.0 3.0
   58    52    74    70  -0.09450  1.0 1.0
   58    52    74    70  -1.12950 -1.0 2.0
   58    52    74    70   0.54000  1.0 3.0
   58    52    74    75   0.23400  1.0 3.0
   58    52    74    76   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44  -0.95700  1.0 1.0
   41    33    38    44  -0.18200 -1.0 2.0
   41    33    38    44   0.29450  1.0 3.0
   41    46    51    53  -0.11550  1.0 1.0
   41    46    51    53   1.88700 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    51   0.00000  1.0 1.0
   43    41    46    47   0.00000  1.0 1.0
   43    41    46    51   0.00000  1.0 1.0
   46    51    53    54   0.24000  1.0 3.0
   46    51    53    55   0.24000  1.0 3.0
   46    51    53    56   0.24000  1.0 3.0
   47    46    51    53  -0.11550  1.0 1.0
   47    46    51    53   1.88700 -1.0 2.0
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
   38    48    44    45  10.50000 -1.0 2.0
   52    62    57    60   1.10000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   64    74    70    71  10.50000 -1.0 2.0
   57    67    62    63  10.50000 -1.0 2.0
   67    77    72    73  10.50000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
END
