* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    151    245     454
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.17453   -30.81155
    3     1 S   H    _H1_     3     1.02082    66.17583    73.23452
    4     1 S   H    _H2_     4     1.02095    46.45944  -132.41843
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C10    36     1.81555    98.34886  -178.18501
   34    33 S   HC   _H7_    37     1.09637   104.36400   -57.10814
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C9_    38     1.54029   115.83537    60.01075
   39    38 S   HC   _H6_    39     1.09510   112.42770   -82.93241
   40    33 S   CT   _C11    50     1.54548   117.15095  -175.04022
   41    40 S   HC   _H8_    51     1.10689   108.21086   110.46688
   42    38 S   CT   _C8_    40     1.54234   117.50213    46.80376
   43    42 S   HC   _H15    41     1.09848   107.19420   177.91025
   44    42 S   HC   _H16    42     1.09500   110.06046   -67.09586
   45    40 S   OH   _O33    52     1.41462   115.35741    -8.80955
   46    45 S   HO   _H17    53     0.97234   107.16484   178.97054
   47    42 S   CT   _C7_    43     1.53842   114.74563    58.55249
   48    47 S   HC   _H5_    44     1.09763   108.84113   153.33142
   49    47 S   CT   _C6_    45     1.53909   114.36239    31.24758
   50    49 S   HC   _H13    46     1.09705   110.46199  -155.35915
   51    49 S   HC   _H14    47     1.09718   107.96421    88.47627
   52    47 S   OS   _O34    60     1.42603   108.91354   -92.06797
   53    49 S   CT   _C5_    48     1.53780   114.14684   -31.19647
   54    53 S   HC   _H4_    49     1.09495   110.42203   172.32545
   55    52 S   CO4  _C12    61     1.36872   115.73477  -146.68451
   56    55 S   O    _O35    62     1.22447   125.22993    -0.03426
   57    38 S   NP   _N4_    54     1.52382   102.15126   161.40424
   58    57 S   H    _H3_    55     1.02960   109.39706  -162.11080
   59    55 S   CT   _C13    63     1.52668   109.67250  -179.80820
   60    59 S   HC   _H9_    64     1.09865   106.35360    29.76296
   61    57 S   CT   _C4_    56     1.49994   115.54626    78.97635
   62    61 S   HC   _H10    57     1.09121   107.78589   -58.96431
   63    61 S   HC   _H11    58     1.09216   107.80630    60.96090
   64    61 S   HC   _H12    59     1.09167   107.86585  -179.00083
   65    59 S   CA   _C15    65     1.52068   111.01208   146.78877
   66    59 S   CT   _C14    76     1.53502   110.36338   -87.97960
   67    66 S   HC   _H18    77     1.09592   111.79897   -44.45785
   68    66 S   HC   _H19    78     1.09506   111.24262  -166.35138
   69    65 S   CA   _C16    66     1.39524   120.01255   -90.03869
   70    69 S   HA   _H21    67     1.08732   120.52641     0.11535
   71    66 S   OH   _O36    79     1.42397   109.55037    75.42920
   72    71 S   HO   _H20    80     0.97047   106.62376  -179.97202
   73    69 S   CA   _C17    68     1.39491   119.99272   179.97202
   74    73 S   HA   _H22    69     1.08552   120.00312   179.97202
   75    73 S   CA   _C18    70     1.39477   120.01641     0.07402
   76    75 S   HA   _H23    71     1.08549   120.04571   179.89165
   77    75 S   CA   _C19    72     1.39573   119.99148    -0.02798
   78    77 S   HA   _H24    73     1.08525   120.04203   179.92867
   79    65 S   CA   _C20    74     1.39477   119.99648    90.02706
   80    79 S   HA   _H25    75     1.08702   120.50821    -0.01978
  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
  17   8   2   1   1  19   9  13   6  13   6   5   5   1  11   6
   9   5   4   7   7   3  10   4   5   4  13   7   3   2   1   1
  13   6   3   2   8   4   1   1   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    53    40    41    45    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    47    49    53    54    40    41    45    46    57    58    61  
   38    39    42    53    40    41    45    57  
   36    37  
   37  
    0  
   39    42    43    44    47    48    49    53    54    40    41    45    57    58    61    62    63    64    52  
   42    43    44    47    53    40    57    58    61  
   41    45    46    57    58    61    42    47    49    50    51    53    54  
   45    46    57    49    53    54  
   43    44    47    48    49    50    51    53    57    58    61    52    55  
   44    47    48    49    57    52  
   47    48    49    57    52  
   46    57    49    53    54  
   53  
   48    49    50    51    53    54    57    52    55    56    59  
   49    50    51    53    52    55  
   50    51    53    54    57    58    61    52    55  
   51    53    54    57    52  
   53    54    57    52  
   55    56    59    60    65    66    53  
   54    57    58    61    62    63    64  
   57    58    61  
   56    59    60    65    69    79    66    67    68    71  
   59    60    65    66  
   58    61    62    63    64  
   61    62    63    64  
   60    65    69    70    73    77    79    80    66    67    68    71    72  
   65    69    79    66    67    68    71  
   62    63    64  
   63    64  
   64  
    0  
   69    70    73    74    75    77    78    79    80    66    67    68    71  
   67    68    71    72    69    79  
   68    71    72  
   71    72  
   70    73    74    75    76    77    79    80  
   73    74    75    79  
   72  
    0  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80  
   77    78    79  
   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  -0.335000   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   1.6450   1.4500   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   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   58   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    57   367.000  1.471
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    40   268.000  1.529
   53    57   367.000  1.471
   40    41   340.000  1.090
   40    45   320.000  1.410
   45    46   553.000  0.945
   57    58   434.000  1.010
   57    61   367.000  1.471
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    55   214.000  1.327
   55    56   570.000  1.229
   55    59   317.000  1.522
   59    60   340.000  1.090
   59    65   317.000  1.510
   59    66   268.000  1.529
   65    69   469.000  1.400
   65    79   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   553.000  0.945
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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    57    80.00000  111.20000
   33    40    53    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    45    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    47    58.35000  112.70000
   38    57    53    75.00000  113.01200
   38    57    58    35.00000  109.50000
   38    57    61    75.00000  113.01200
   42    38    39    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    58.35000  112.70000
   42    47    52    50.00000  109.50000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    52    55    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    40    58.35000  112.70000
   49    53    57    80.00000  111.20000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    40    41    37.50000  110.70000
   53    40    45    50.00000  109.50000
   53    57    58    35.00000  109.50000
   53    57    61    75.00000  113.01200
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    53    54    37.50000  110.70000
   40    45    46    55.00000  108.50000
   45    40    41    35.00000  109.50000
   57    38    39    35.00000  109.50000
   57    38    42    80.00000  111.20000
   57    53    54    35.00000  109.50000
   57    53    40    80.00000  111.20000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    64    35.00000  109.50000
   61    57    58    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
   52    47    48    35.00000  109.50000
   52    47    49    50.00000  109.50000
   52    55    56    83.00000  123.40000
   52    55    59    81.00000  111.40000
   55    59    60    35.00000  109.50000
   55    59    65    70.00000  110.93000
   55    59    66    63.00000  111.10000
   59    55    56    80.00000  120.40000
   59    65    69    70.00000  120.00000
   59    65    79    70.00000  120.00000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    71    50.00000  109.50000
   65    59    60    35.00000  109.50000
   65    69    70    35.00000  120.00000
   65    69    73    63.00000  120.00000
   65    79    77    63.00000  120.00000
   65    79    80    35.00000  120.00000
   69    73    74    35.00000  120.00000
   69    73    75    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   79    65    69    63.00000  120.00000
   79    77    78    35.00000  120.00000
   66    59    60    37.50000  110.70000
   66    59    65    70.00000  112.17500
   66    71    72    55.00000  108.50000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    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    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    57   0.56750  1.0 1.0
   29    33    38    57  -0.07550 -1.0 2.0
   29    33    38    57   0.20000  1.0 3.0
   29    33    40    53   0.44750  1.0 1.0
   29    33    40    53  -0.17800 -1.0 2.0
   29    33    40    53   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    47   0.56750  1.0 1.0
   33    38    42    47  -0.07550 -1.0 2.0
   33    38    42    47   0.20000  1.0 3.0
   33    38   -57    53   0.47100  1.0 1.0
   33    38    57    58   0.17350  1.0 3.0
   33    38    57    61   0.47100  1.0 1.0
   33    40    45    46  -0.11600  1.0 1.0
   33    40    45    46  -0.09450 -1.0 2.0
   33    40    45    46   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    57   0.19200  1.0 3.0
   34    33    40    53   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    45   0.23400  1.0 3.0
   38    33   -40    53   0.56750  1.0 1.0
   38    33   -40    53  -0.07550 -1.0 2.0
   38    33   -40    53   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    45   0.86500  1.0 1.0
   38    33    40    45  -0.17500 -1.0 2.0
   38    33    40    45   0.20800  1.0 3.0
   38    42    47    48   0.15000  1.0 3.0
   38    42    47    49   0.56750  1.0 1.0
   38    42    47    49  -0.07550 -1.0 2.0
   38    42    47    49   0.20000  1.0 3.0
   38    42    47    52   0.62750  1.0 1.0
   38    42    47    52  -0.30950 -1.0 2.0
   38    42    47    52   0.27300  1.0 3.0
   38    57    61    62   0.15000  1.0 3.0
   38    57    61    63   0.15000  1.0 3.0
   38    57    61    64   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   39    38    57    53   0.15000  1.0 3.0
   39    38    57    58   0.13050  1.0 3.0
   39    38    57    61   0.15000  1.0 3.0
   42    38    57    53   0.47100  1.0 1.0
   42    38    57    58   0.17350  1.0 3.0
   42    38    57    61   0.47100  1.0 1.0
   42    47    49    50   0.15000  1.0 3.0
   42    47    49    51   0.15000  1.0 3.0
   42    47   -49    53   0.56750  1.0 1.0
   42    47   -49    53  -0.07550 -1.0 2.0
   42    47   -49    53   0.20000  1.0 3.0
   42    47    52    55  -0.25900  1.0 1.0
   42    47    52    55  -0.47000 -1.0 2.0
   42    47    52    55   0.11750  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    52   0.23400  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    49   0.15000  1.0 3.0
   44    42    47    52   0.23400  1.0 3.0
   47    49    53    54   0.15000  1.0 3.0
   47    49    53    40   0.56750  1.0 1.0
   47    49    53    40  -0.07550 -1.0 2.0
   47    49    53    40   0.20000  1.0 3.0
   47    49    53    57   1.36600  1.0 1.0
   47    49    53    57  -0.11450 -1.0 2.0
   47    49    53    57   0.24250  1.0 3.0
   47    52    55    56   3.00000 -1.0 2.0
   47    52    55    59   1.63150  1.0 1.0
   47    52    55    59   2.92000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    52    55   0.08050  1.0 3.0
   49    47    52    55  -0.25900  1.0 1.0
   49    47    52    55  -0.47000 -1.0 2.0
   49    47    52    55   0.11750  1.0 3.0
   49    53    40    33   0.56750  1.0 1.0
   49    53    40    33  -0.07550 -1.0 2.0
   49    53    40    33   0.20000  1.0 3.0
   49    53    40    41   0.15000  1.0 3.0
   49    53    40    45   0.86500  1.0 1.0
   49    53    40    45  -0.17500 -1.0 2.0
   49    53    40    45   0.20800  1.0 3.0
   49    53   -57    38   0.47100  1.0 1.0
   49    53    57    58   0.17350  1.0 3.0
   49    53    57    61   0.47100  1.0 1.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    40   0.15000  1.0 3.0
   50    49    53    57   0.19200  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    40   0.15000  1.0 3.0
   51    49    53    57   0.19200  1.0 3.0
   53    40    45    46  -0.11600  1.0 1.0
   53    40    45    46  -0.09450 -1.0 2.0
   53    40    45    46   0.21250  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    64   0.15000  1.0 3.0
   54    53    40    33   0.15000  1.0 3.0
   54    53    40    41   0.15000  1.0 3.0
   54    53    40    45   0.23400  1.0 3.0
   54    53    57    38   0.15000  1.0 3.0
   54    53    57    58   0.13050  1.0 3.0
   54    53    57    61   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33   -38    57   1.36600  1.0 1.0
   40    33   -38    57  -0.11450 -1.0 2.0
   40    33   -38    57   0.24250  1.0 3.0
   40    53   -57    38   0.47100  1.0 1.0
   40    53    57    58   0.17350  1.0 3.0
   40    53    57    61   0.47100  1.0 1.0
   41    40    45    46   0.19450  1.0 3.0
   57    38    42    43   0.19200  1.0 3.0
   57    38    42    44   0.19200  1.0 3.0
   57    38   -42    47   1.36600  1.0 1.0
   57    38   -42    47  -0.11450 -1.0 2.0
   57    38   -42    47   0.24250  1.0 3.0
   57    53   -40    33   1.36600  1.0 1.0
   57    53   -40    33  -0.11450 -1.0 2.0
   57    53   -40    33   0.24250  1.0 3.0
   57    53    40    41   0.19200  1.0 3.0
   57    53    40    45   1.69300  1.0 1.0
   57    53    40    45  -0.48450 -1.0 2.0
   58    57    61    62   0.13050  1.0 3.0
   58    57    61    63   0.13050  1.0 3.0
   58    57    61    64   0.13050  1.0 3.0
   52    47    49    50   0.23400  1.0 3.0
   52    47    49    51   0.23400  1.0 3.0
   52    47    49    53   0.62750  1.0 1.0
   52    47    49    53  -0.30950 -1.0 2.0
   52    47    49    53   0.27300  1.0 3.0
   52    55    59    60   0.00000  1.0 1.0
   52    55    59    65   0.40000  1.0 3.0
   52    55    59    66   0.36750  1.0 3.0
   55    59    65    69   0.04300 -1.0 2.0
   55    59    65    79   0.04300 -1.0 2.0
   55    59    66    67  -0.11250  1.0 3.0
   55    59    66    68  -0.11250  1.0 3.0
   55    59    66    71  -0.09450  1.0 1.0
   55    59    66    71  -1.12950 -1.0 2.0
   55    59    66    71   0.54000  1.0 3.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    65   0.30150 -1.0 2.0
   56    55    59    66   0.30150 -1.0 2.0
   59    65    69    70   3.62500 -1.0 2.0
   59    65    69    73   3.62500 -1.0 2.0
   59    65    79    77   3.62500 -1.0 2.0
   59    65    79    80   3.62500 -1.0 2.0
   59    66    71    72  -0.11600  1.0 1.0
   59    66    71    72  -0.09450 -1.0 2.0
   59    66    71    72   0.21250  1.0 3.0
   60    59    65    69   0.00000  1.0 1.0
   60    59    65    79   0.00000  1.0 1.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    71   0.23400  1.0 3.0
   65    59    66    67   0.43200  1.0 3.0
   65    59    66    68   0.43200  1.0 3.0
   65    59    66    71   1.13150  1.0 1.0
   65    59    66    71  -1.01400 -1.0 2.0
   65    69    73    74   3.62500 -1.0 2.0
   65    69    73    75   3.62500 -1.0 2.0
   69    65    79    77   3.62500 -1.0 2.0
   69    65    79    80   3.62500 -1.0 2.0
   69    73    75    76   3.62500 -1.0 2.0
   69    73   -75    77   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   70    69    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -79    65   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    65   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    65    69    70   3.62500 -1.0 2.0
   79    65   -69    73   3.62500 -1.0 2.0
   66    59    65    69   0.04150 -1.0 2.0
   66    59    65    79   0.04150 -1.0 2.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72   0.19450  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
   52    59    55    56  10.50000 -1.0 2.0
   69    79    65    59   4.00000 -1.0 2.0
   73    70    69    65   1.10000 -1.0 2.0
   75    74    73    69   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    65   1.10000 -1.0 2.0
END
