* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    157    250     465
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02064   104.80616   -32.72600
    3     1 S   H    _H1_     3     1.02046    67.39300    71.70030
    4     1 S   H    _H2_     4     1.02153    45.44594  -134.55401
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.67486    58.63995
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.89429    95.86217   161.86293
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C11    37     1.54625   103.20879   -79.98018
   38    37 S   HC   _H13    38     1.09457   112.68846   172.45517
   39    37 S   HC   _H14    39     1.09733   110.82070    53.30801
   40    33 S   CT   _C13    64     1.54956   108.48885    40.26021
   41    40 S   HC   _H4_    65     1.09790   110.46342   -61.61188
   42    37 S   CO4  _C10    40     1.51598   112.31321   -68.42913
   43    42 S   O    _O33    41     1.23041   121.27242   154.10851
   44    40 S   NP   _N4_    66     1.53637   109.14639  -176.18289
   45    44 S   H    _H3_    67     1.02683   105.86513    56.33896
   46    42 S   CM   _C9_    42     1.48823   118.47205   -28.57689
   47    44 S   CT   _C5_    68     1.50485   114.68575   -59.98452
   48    47 S   HC   _H8_    69     1.09513   108.28813   -71.70025
   49    47 S   HC   _H9_    70     1.09537   107.24333   171.81314
   50    44 S   CT   _C4_    74     1.50793   114.03249   169.14505
   51    50 S   HC   _H5_    75     1.09096   107.81673    65.65055
   52    50 S   HC   _H6_    76     1.09202   107.80547  -174.40339
   53    50 S   HC   _H7_    77     1.09198   107.88558   -54.33777
   54    46 S   CM   _C8_    43     1.34174   120.41546     0.99995
   55    54 S   HC   _H12    44     1.08030   113.23457  -175.23120
   56    60 S   CT   _C6_    71     1.56237   110.10966  -178.02088
   57    56 S   HC   _H10    72     1.09897   110.16076   -68.54879
   58    56 S   HC   _H11    73     1.09860   110.57472   175.81690
   59    46 S   OS   _O36    78     1.37913   118.38437  -177.14686
   60    33 S   CT   _C7_    45     1.57042   113.24307   159.75033
   61    59 S   CT   _C22    79     1.40761   112.69400   -91.90101
   62    61 S   HC   _H23    80     1.09232   109.48869   180.00000
   63    61 S   HC   _H24    81     1.09304   109.46800    59.20626
   64    61 S   HC   _H25    82     1.09238   108.96245   -60.44084
   65    60 S   CA   _C16    46     1.54837   110.00858   -61.31100
   66    65 S   CA   _C15    47     1.41703   120.07611   -29.93725
   67    66 S   CA   _C20    48     1.40651   120.04451  -178.55558
   68    67 S   HA   _H18    49     1.08791   120.07671  -179.06812
   69    66 S   CT   _C14    61     1.51442   122.60168     1.99086
   70    69 S   HC   _H15    62     1.09846   107.03447   116.42496
   71    69 S   HC   _H16    63     1.09486   108.97531  -129.84278
   72    67 S   CA   _C19    50     1.39042   120.91624     1.36659
   73    72 S   HA   _H17    51     1.08591   119.81039   179.68163
   74    72 S   CA   _C18    52     1.38874   119.56066     0.37742
   75    65 S   CA   _C17    53     1.40854   122.00902   154.48287
   76    74 S   OS   _O34    56     1.36454   118.84568   178.07960
   77    75 S   OH   _O35    54     1.36442   123.77757     5.13957
   78    77 S   HO   _H22    55     0.96940   110.04363     0.06561
   79    76 S   CT   _C21    57     1.42516   116.93973    91.34471
   80    79 S   HC   _H19    58     1.09291   109.50111   179.97202
   81    79 S   HC   _H20    59     1.09223   109.56119    59.18892
   82    79 S   HC   _H21    60     1.09319   108.99673   -60.46573
  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  13   5   4   3
  24   2   1   1  14   6   5  20   9   7   3  16   9  10  13   6
   5   5   2   1   1  10   4   6   3   2   5   7   3   2   1   1
  12  10   9   4   4   1   1   6   3   8   4   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    54    60    65    69    40    41    44    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    46    54    55    60    65    66    75    69    70    71    40    41    44    45    47    56    57    58    50  
   35    36  
   36  
    0  
   38    39    42    43    46    54    60    65    69    40    41    44    56    59  
   39    42    43    46    60    40  
   42    43    46    60    40  
   41    44    45    47    48    49    56    50    51    52    53    42    54    60    65    66    67    69    70    71  
   44    45    47    50    60    66    69    70    71  
   43    46    54    55    60    59    61  
   46    54    59  
   45    47    48    49    56    57    58    50    51    52    53    60    66    69    70    71  
   47    48    49    56    50    51    52    53    69  
   54    55    60    65    56    59    61    62    63    64  
   48    49    56    57    58    50    51    52    53    54    60    65    69  
   49    56    57    58    50    60  
   56    57    58    50    60  
   51    52    53    56    69  
   52    53  
   53  
    0  
   55    60    65    66    75    56    57    58    59    61  
   60    65    56    59  
   57    58    60    65    66    75  
   58    60    65  
   60    65  
   61    62    63    64    60  
   65    66    67    74    75    77    69  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    72    74    75    77    78    76    69    70    71  
   67    68    72    73    74    75    77    69    70    71  
   68    72    73    74    75    76    69    70    71  
   72    73    74    69  
   70    71    72    75  
   71  
    0  
   73    74    75    77    76    79  
   74    75    76  
   75    77    78    76    79    80    81    82  
   77    78    76    79  
   79    80    81    82    77  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    60   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    46   320.000  1.462
   46    54   549.000  1.340
   46    59   440.000  1.360
   54    55   340.000  1.080
   54    60   317.000  1.510
   60    65   317.000  1.510
   60    56   268.000  1.529
   65    66   469.000  1.400
   65    75   469.000  1.400
   66    67   469.000  1.400
   66    69   317.000  1.510
   67    68   367.000  1.080
   67    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    76   450.000  1.364
   75    77   450.000  1.364
   77    78   553.000  0.945
   76    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    40   268.000  1.529
   40    41   340.000  1.090
   40    44   367.000  1.471
   44    45   434.000  1.010
   44    47   367.000  1.471
   44    50   367.000  1.471
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   59    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    60    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    60    54    70.00000  112.02700
   33    60    65    70.00000  112.17500
   33    60    56    58.35000  112.70000
   33    40    69    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    80.00000  111.20000
   37    42    43    80.00000  120.40000
   37    42    46    65.00000  118.62400
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    46    54    65.00000  118.96000
   42    46    59    85.00000  116.28000
   46    42    43    80.00000  123.72100
   46    54    55    35.00000  120.00000
   46    54    60    70.00000  124.00000
   46    59    61    90.00000  111.18400
   54    60    65    70.00000  112.99600
   54    60    56    70.00000  112.02700
   60    33    37    58.35000  112.70000
   60    54    55    35.00000  117.00000
   60    65    66    70.00000  120.00000
   60    65    75    70.00000  120.00000
   60    56    47    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   65    66    67    63.00000  120.00000
   65    66    69    70.00000  120.00000
   65    75    74    63.00000  120.00000
   65    75    77    70.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    72    63.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    40    70.00000  112.17500
   67    72    73    35.00000  120.00000
   67    72    74    63.00000  120.00000
   72    67    68    35.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    76    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    77    70.00000  120.00000
   74    76    79    75.00000  111.00000
   75    65    66    63.00000  120.00000
   75    77    78    35.00000  113.00000
   76    74    75    70.00000  120.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   69    66    67    70.00000  120.00000
   69    40    41    37.50000  110.70000
   69    40    44    80.00000  111.20000
   71    69    70    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    60    58.35000  112.70000
   40    69    70    37.50000  110.70000
   40    69    71    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    47    75.00000  113.01200
   40    44    50    75.00000  113.01200
   44    40    41    35.00000  109.50000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    56    80.00000  111.20000
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   47    44    45    35.00000  109.50000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   49    47    48    33.00000  107.80000
   56    60    65    70.00000  112.17500
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   58    56    57    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    47    75.00000  113.01200
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   59    46    54    80.00000  120.01400
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    60    54   0.56750  1.0 1.0
   29    33    60    54  -0.07550 -1.0 2.0
   29    33    60    54   0.20000  1.0 3.0
   29    33    60    65   0.56750  1.0 1.0
   29    33    60    65  -0.07550 -1.0 2.0
   29    33    60    65   0.20000  1.0 3.0
   29    33    60    56   0.44750  1.0 1.0
   29    33    60    56  -0.17800 -1.0 2.0
   29    33    60    56   0.20200  1.0 3.0
   29    33    40    69   0.44750  1.0 1.0
   29    33    40    69  -0.17800 -1.0 2.0
   29    33    40    69   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    42    43   0.30150 -1.0 2.0
   33    37    42    46   0.65300  1.0 1.0
   33    37    42    46  -0.03850 -1.0 2.0
   33    37    42    46   0.33900  1.0 3.0
   33    60    65    66   0.04150 -1.0 2.0
   33    60    65    75   0.04150 -1.0 2.0
   33    60    56    47   0.56750  1.0 1.0
   33    60    56    47  -0.07550 -1.0 2.0
   33    60    56    47   0.20000  1.0 3.0
   33    60    56    57   0.15000  1.0 3.0
   33    60    56    58   0.15000  1.0 3.0
   33    40    44    45   0.17350  1.0 3.0
   33    40   -44    47   0.47100  1.0 1.0
   33    40    44    50   0.47100  1.0 1.0
   37    33    60    54   0.34400  1.0 1.0
   37    33    60    54   0.09450 -1.0 2.0
   37    33    60    54   0.11100  1.0 3.0
   37    33    60    65  -0.03700  1.0 1.0
   37    33    60    65   0.37200 -1.0 2.0
   37    33    60    65  -0.47300  1.0 3.0
   37    33    60    56   0.56750  1.0 1.0
   37    33    60    56  -0.07550 -1.0 2.0
   37    33    60    56   0.20000  1.0 3.0
   37    33    40    69   0.56750  1.0 1.0
   37    33    40    69  -0.07550 -1.0 2.0
   37    33    40    69   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44   1.36600  1.0 1.0
   37    33    40    44  -0.11450 -1.0 2.0
   37    33    40    44   0.24250  1.0 3.0
   37    42   -46    54  -0.33500  1.0 1.0
   37    42   -46    54   1.06600 -1.0 2.0
   37    42   -46    54  -0.14000  1.0 3.0
   37    42    46    59   0.32450 -1.0 2.0
   37    42    46    59   0.17400  1.0 3.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    46   0.00000  1.0 1.0
   39    37    42    43   0.00000  1.0 1.0
   39    37    42    46   0.00000  1.0 1.0
   42    46    54    55   7.00000 -1.0 2.0
   42    46    54    60   7.00000 -1.0 2.0
   42    46    59    61   0.15100 -1.0 2.0
   43    42    46    54   1.00000 -1.0 2.0
   43    42    46    59  -0.11900  1.0 1.0
   43    42    46    59   0.76850 -1.0 2.0
   43    42    46    59   0.14100  1.0 3.0
   46    54   -60    33   0.09850  1.0 1.0
   46    54   -60    33   0.15250 -1.0 2.0
   46    54   -60    33  -0.50650  1.0 3.0
   46    54    60    65   1.44450  1.0 1.0
   46    54    60    65   0.06600 -1.0 2.0
   46    54    60    65   0.29250  1.0 3.0
   46    54    60    56   0.09850  1.0 1.0
   46    54    60    56   0.15250 -1.0 2.0
   46    54    60    56  -0.50650  1.0 3.0
   46    59    61    62   0.08050  1.0 3.0
   46    59    61    63   0.08050  1.0 3.0
   46    59    61    64   0.08050  1.0 3.0
   54    46    59    61  -2.26850  1.0 1.0
   54    46    59    61   3.39050 -1.0 2.0
   54    60    65    66   0.18050 -1.0 2.0
   54    60    65    75   0.18050 -1.0 2.0
   54    60    56    47   0.34400  1.0 1.0
   54    60    56    47   0.09450 -1.0 2.0
   54    60    56    47   0.11100  1.0 3.0
   54    60    56    57   0.15000  1.0 3.0
   54    60    56    58   0.15000  1.0 3.0
   55    54    60    33   0.00000  1.0 1.0
   55    54    60    65   0.00000  1.0 1.0
   55    54    60    56   0.00000  1.0 1.0
   60    33    37    38   0.15000  1.0 3.0
   60    33    37    39   0.15000  1.0 3.0
   60    33   -37    42  -0.95700  1.0 1.0
   60    33   -37    42  -0.18200 -1.0 2.0
   60    33   -37    42   0.29450  1.0 3.0
   60    33    40    69   0.56750  1.0 1.0
   60    33    40    69  -0.07550 -1.0 2.0
   60    33    40    69   0.20000  1.0 3.0
   60    33    40    41   0.15000  1.0 3.0
   60    33    40    44   1.36600  1.0 1.0
   60    33    40    44  -0.11450 -1.0 2.0
   60    33    40    44   0.24250  1.0 3.0
   60    65    66    67   3.62500 -1.0 2.0
   60    65   -66    69   3.62500 -1.0 2.0
   60    65    75    74   3.62500 -1.0 2.0
   60    65    75    77   3.62500 -1.0 2.0
   65    60    56    47  -0.03700  1.0 1.0
   65    60    56    47   0.37200 -1.0 2.0
   65    60    56    47  -0.47300  1.0 3.0
   65    60    56    57   0.43200  1.0 3.0
   65    60    56    58   0.43200  1.0 3.0
   65    66    67    68   3.62500 -1.0 2.0
   65    66    67    72   3.62500 -1.0 2.0
   65    66    69    70   0.00000  1.0 1.0
   65    66    69    71   0.00000  1.0 1.0
   65    66    69    40   0.04150 -1.0 2.0
   65    75    77    78   0.84100 -1.0 2.0
   66    65    75    74   3.62500 -1.0 2.0
   66    65    75    77   3.62500 -1.0 2.0
   66    67    72    73   3.62500 -1.0 2.0
   66    67   -72    74   3.62500 -1.0 2.0
   66    69   -40    33  -0.03700  1.0 1.0
   66    69   -40    33   0.37200 -1.0 2.0
   66    69   -40    33  -0.47300  1.0 3.0
   66    69    40    41   0.43200  1.0 3.0
   66    69    40    44   1.24050  1.0 1.0
   66    69    40    44   0.48100 -1.0 2.0
   66    69    40    44   1.08150  1.0 3.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   67    66    69    40   0.04150 -1.0 2.0
   67    72    74    75   3.62500 -1.0 2.0
   67    72    74    76   3.62500 -1.0 2.0
   68    67    72    73   3.62500 -1.0 2.0
   68    67    72    74   3.62500 -1.0 2.0
   72    74   -75    65   3.62500 -1.0 2.0
   72    74    75    77   3.62500 -1.0 2.0
   72    74    76    79   1.63200 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    75    77    78   0.84100 -1.0 2.0
   74    76    79    80   0.08050  1.0 3.0
   74    76    79    81   0.08050  1.0 3.0
   74    76    79    82   0.08050  1.0 3.0
   75    65   -66    67   3.62500 -1.0 2.0
   75    65    66    69   3.62500 -1.0 2.0
   75    74    76    79   1.63200 -1.0 2.0
   76    74    75    65   3.62500 -1.0 2.0
   76    74    75    77   3.62500 -1.0 2.0
   69    66    67    68   3.62500 -1.0 2.0
   69    66    67    72   3.62500 -1.0 2.0
   69    40    44    45   0.17350  1.0 3.0
   69    40    44    47   0.47100  1.0 1.0
   69    40    44    50   0.47100  1.0 1.0
   70    69    40    33   0.15000  1.0 3.0
   70    69    40    41   0.15000  1.0 3.0
   70    69    40    44   0.19200  1.0 3.0
   71    69    40    33   0.15000  1.0 3.0
   71    69    40    41   0.15000  1.0 3.0
   71    69    40    44   0.19200  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42  -0.95700  1.0 1.0
   40    33    37    42  -0.18200 -1.0 2.0
   40    33    37    42   0.29450  1.0 3.0
   40    33    60    54   0.34400  1.0 1.0
   40    33    60    54   0.09450 -1.0 2.0
   40    33    60    54   0.11100  1.0 3.0
   40    33   -60    65  -0.03700  1.0 1.0
   40    33   -60    65   0.37200 -1.0 2.0
   40    33   -60    65  -0.47300  1.0 3.0
   40    33    60    56   0.56750  1.0 1.0
   40    33    60    56  -0.07550 -1.0 2.0
   40    33    60    56   0.20000  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    49   0.15000  1.0 3.0
   40    44   -47    56   0.47100  1.0 1.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44    50    53   0.15000  1.0 3.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   44    47   -56    60   1.36600  1.0 1.0
   44    47   -56    60  -0.11450 -1.0 2.0
   44    47   -56    60   0.24250  1.0 3.0
   44    47    56    57   0.19200  1.0 3.0
   44    47    56    58   0.19200  1.0 3.0
   45    44    47    48   0.13050  1.0 3.0
   45    44    47    49   0.13050  1.0 3.0
   45    44    47    56   0.17350  1.0 3.0
   45    44    50    51   0.13050  1.0 3.0
   45    44    50    52   0.13050  1.0 3.0
   45    44    50    53   0.13050  1.0 3.0
   47    44    50    51   0.15000  1.0 3.0
   47    44    50    52   0.15000  1.0 3.0
   47    44    50    53   0.15000  1.0 3.0
   48    47    56    60   0.15000  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   49    47    56    60   0.15000  1.0 3.0
   49    47    56    57   0.15000  1.0 3.0
   49    47    56    58   0.15000  1.0 3.0
   56    60    65    66   0.04150 -1.0 2.0
   56    60    65    75   0.04150 -1.0 2.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    56   0.47100  1.0 1.0
   59    46    54    55   7.00000 -1.0 2.0
   59    46    54    60   7.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   37    46    42    43  10.50000 -1.0 2.0
   42    59    46    54   1.10000 -1.0 2.0
   60    55    54    46   1.10000 -1.0 2.0
   66    75    65    60   4.00000 -1.0 2.0
   67    69    66    65   4.00000 -1.0 2.0
   72    68    67    66   1.10000 -1.0 2.0
   74    73    72    67   1.10000 -1.0 2.0
   75    76    74    72   4.00000 -1.0 2.0
   74    77    75    65   4.00000 -1.0 2.0
END
