* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    147    225     419
    1     0 S   NP   _N1_     1    30.91169    99.84467   -25.01786
    2     1 S   H    _HN1     2     1.03480   161.22569   -91.23074
    3     1 S   H    _H1_     3     1.02853    55.73983   -57.25449
    4     1 S   H    _H2_     4     1.02757    72.34200   176.19373
    5     1 S   CT   _CA1     5     1.50058    85.07306    62.24432
    6     5 S   HC   _HA1     6     1.09554   104.88527   128.81082
    7     5 S   CO3  _C1_     7     1.53658   113.25012     8.21334
    8     7 S   O2Z  _O11     8     1.26391   115.09786   -34.84851
    9     7 S   O2Z  _O12     9     1.26246   114.99268   144.44344
   10     5 S   CT   _CB1    10     1.53031   107.45321  -112.82577
   11    10 S   HC   HB11    11     1.09570   109.43841   -40.54385
   12    10 S   HC   HB12    12     1.09836   110.40111    75.04656
   13    10 S   CT   _CG1    13     1.53258   112.97642  -163.18527
   14    13 S   HC   HG11    14     1.09553   110.85528   -96.71432
   15    13 S   HC   HG12    15     1.09604   111.63684    22.53194
   16    13 S   C    _CD1    16     1.51547   109.37878   143.32207
   17    16 S   O    _OE1    17     1.22806   121.82672    85.45176
   18    16 S   N    _N2_    18     1.38591   112.52750   -91.11630
   19    18 S   H    _HN2    19     1.01565   119.17411    -4.36134
   20    18 S   CT1  _CA2    20     1.46157   123.51451   173.38808
   21    20 S   HC   _HA2    21     1.09719   109.19543    -8.45682
   22    20 S   C    _C2_    22     1.53844   108.91797  -124.11865
   23    22 S   O    _O2_    23     1.23087   122.08222  -156.47334
   24    20 S   CT   _CB2    32     1.53483   111.90331   113.87572
   25    24 S   HC   HB21    33     1.09548   109.66279    56.77425
   26    24 S   HC   HB22    34     1.09411   109.76954   175.41550
   27    22 S   N    _N3_    24     1.38335   114.06635    30.32378
   28    27 S   H    _HN3    25     1.01446   119.12430    -2.08919
   29    24 S   S    _SG2    35     1.82760   111.91987   -64.21941
   30    27 S   CT   _CA3    26     1.45339   123.39000   178.02375
   31    30 S   HC   HA31    27     1.09551   107.20623   -70.20171
   32    30 S   HC   HA32    28     1.09556   108.23035    46.15859
   33    29 S   CT   _C5_    36     1.89010   100.37898  -177.21048
   34    30 S   CO3  _C3_    29     1.53031   114.38279   168.25711
   35    34 S   O2Z  _O31    30     1.26431   116.31480    -6.14165
   36    34 S   O2Z  _O32    31     1.26403   114.45265   173.99665
   37    33 S   CM   _C10    37     1.53903   105.39645  -163.73080
   38    33 S   OS   _O33    75     1.44178   107.60070   -46.35590
   39    37 S   N4   _N4_    38     1.36182   119.74142  -116.42055
   40    37 S   CMA  _C11    72     1.53299   120.29583    71.57460
   41    40 S   OM   _O35    73     1.26340   120.33452   -98.07468
   42    40 S   OM   _O36    74     1.26356   121.05407    83.65212
   43    38 S   CT   _C4_    76     1.42017   116.86444   171.05712
   44    43 S   HC   _H6_    77     1.09382   107.83883   167.10936
   45    43 S   HC   _H7_    78     1.09294   112.27632    48.06158
   46    43 S   HC   _H8_    79     1.09302   110.65056   -75.62585
   47    39 S   C4   _C9_    39     1.35186   136.64748  -166.83859
   48    47 S   O    _O34    40     1.20903   134.87851    -6.33413
   49    39 S   C4T  _C7_    43     1.44726   126.15608    11.48794
   50    49 S   HC   _H3_    44     1.09715   112.41471    77.10970
   51    47 S   C4T  _C8_    41     1.55722    89.87975   169.48139
   52    51 S   HC   _H4_    42     1.09614   112.49616   122.54178
   53    49 S   S    _S1_    45     1.81181   109.61878   -50.76839
   54    33 S   CT   _C6_    46     1.56175   104.91999    71.57392
   55    54 S   HC   _H9_    47     1.09525   111.16142   -91.02738
   56    54 S   HC   _H10    48     1.09667   111.76077    28.26404
   57    51 S   N    _N5_    49     1.48067   113.03510  -109.66726
   58    57 S   H    _H11    50     1.01752   118.64467     7.68012
   59    57 S   C    _C12    51     1.38580   122.57608  -175.31759
   60    59 S   O    _O37    52     1.23008   124.48286     3.37023
   61    59 S   CT1  _C13    53     1.52577   113.31868  -175.61715
   62    61 S   HC   _H5_    54     1.09573   110.01291   -32.05176
   63    61 S   CM   _C14    55     1.51323   108.67154    89.00965
   64    61 S   NP   _N6_    68     1.49717   109.51850  -145.97913
   65    64 S   H    _H19    69     1.02852   111.17244    64.29330
   66    64 S   H    _H20    70     1.02886   111.42575   -54.97934
   67    64 S   H    _H21    71     1.02823   111.45908  -175.58026
   68    63 S   CM   _C15    56     1.34797   123.32555    79.22277
   69    68 S   HC   _H12    57     1.08657   120.40195    -0.59545
   70    68 S   CT   _C16    58     1.50238   124.03691  -179.28018
   71    70 S   HC   _H13    59     1.09583   108.79643  -121.58168
   72    70 S   HC   _H14    60     1.09594   108.71669   121.64819
   73    70 S   CM   _C17    61     1.49756   113.96564     0.12820
   74    73 S   HC   _H15    62     1.08625   117.63410   179.59555
   75    73 S   CM   _C18    63     1.33940   122.93991    -0.35608
   76    75 S   HC   _H16    64     1.08646   119.30478   179.92338
   77    63 S   CT   _C19    65     1.51598   115.42448  -100.52873
   78    77 S   HC   _H17    66     1.09589   109.32247    57.53388
   79    77 S   HC   _H18    67     1.09661   108.92794   -59.69127
  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
  16   2   1   1  15  10  12   5   1   1   4   2   1   1   9   4
  10   5   8   4   4   2   1   1   7   3  10   4  13   7  15   5
   2   1   1  10   5   7   4   3   6   3   4   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    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    53    54    55    56    40    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    47    49    53    54    55    56    40    41    42    38    43    44    45    46  
   35    36  
   36  
    0  
   39    47    48    51    49    50    53    54    55    56    40    41    42    38    43  
   43    44    45    46    39    40    53    54    55    56  
   47    48    51    52    49    50    53    54    57    40    41    42  
   41    42    47    49    54  
   42  
    0  
   44    45    46    54  
   45    46  
   46  
    0  
   48    51    52    49    50    53    57    58    59  
   51    52    49    57  
   50    53    54    55    56    57    58    59    51    52  
   53    54    57    51    52  
   52    53    54    57    58    59    60    61  
   53    57    58    59  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61    62    63    68    77    64    65    66    67  
   61    62    63    64  
   62    63    68    69    70    75    77    78    79    64    65    66    67  
   63    68    77    64    65    66    67  
   68    69    70    71    72    73    75    76    77    78    79    64    65    66    67  
   65    66    67    68    77  
   66    67  
   67  
    0  
   69    70    71    72    73    74    75    77    78    79  
   70    71    72    73    77  
   71    72    73    74    75    76    77  
   72    73    74    75  
   73    74    75  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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  -0.316400   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   0.417900   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   3.5500   0.0760  -0.618900   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   39   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   65   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   66   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.510
   33    54   268.000  1.529
   33    38   320.000  1.410
   37    39   400.000  1.384
   37    40   465.000  1.376
   39    47   440.000  1.369
   39    49   305.000  1.456
   47    48   930.000  1.212
   47    51   250.000  1.540
   51    52   340.000  1.090
   51    49   268.000  1.529
   51    57   337.000  1.449
   49    50   340.000  1.090
   49    53   200.000  1.824
   53    54   222.000  1.810
   54    55   340.000  1.090
   54    56   340.000  1.090
   57    58   434.000  1.010
   57    59   490.000  1.335
   59    60   570.000  1.229
   59    61   317.000  1.522
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    64   367.000  1.471
   63    68   549.000  1.340
   63    77   317.000  1.510
   68    69   340.000  1.080
   68    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.510
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   340.000  1.080
   75    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   64    65   434.000  1.010
   64    66   434.000  1.010
   64    67   434.000  1.010
   40    41   745.000  1.250
   40    42   745.000  1.250
   38    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  112.20000
   29    33    54    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    39    70.00000  113.82800
   33    37    40    70.00000  124.00000
   33    54    53    75.00000  111.63000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    38    43    60.00000  109.50000
   37    39    47    50.00000  132.10000
   37    39    49    50.00000  132.70000
   37    40    41    65.00000  137.10300
   37    40    42    65.00000  137.10300
   39    47    48    75.00000  131.60000
   39    47    51    95.00000   92.72400
   39    49    51   105.00000   87.49700
   39    49    50    50.00000  112.01000
   39    49    53    80.00000  108.62000
   47    51    52    40.00000  113.37500
   47    51    49   100.00000   86.36000
   47    51    57    75.00000  110.24000
   51    47    48    60.00000  136.58000
   51    49    50    37.50000  110.70000
   51    49    53    65.00000  119.05700
   51    57    58    38.00000  118.40000
   51    57    59    50.00000  121.90000
   49    39    47   100.00000   93.00000
   49    51    52    37.50000  110.70000
   49    53    54    85.00000   99.86700
   53    49    50    45.00000  109.41400
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   54    33    37    70.00000  112.02700
   56    54    55    33.00000  107.80000
   57    51    52    50.00000  112.01000
   57    51    49    80.00000  110.05700
   57    59    60    80.00000  122.90000
   57    59    61    70.00000  116.60000
   59    57    58    35.00000  119.80000
   59    61    62    35.00000  109.50000
   59    61    63    70.00000  115.00700
   59    61    64    80.00000  111.20000
   61    59    60    80.00000  120.40000
   61    63    68    70.00000  124.00000
   61    63    77    65.00000  117.92700
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   63    61    62    35.00000  109.50000
   63    68    69    35.00000  120.00000
   63    68    70    70.00000  124.00000
   63    77    75    70.00000  110.12100
   63    77    78    35.00000  109.50000
   63    77    79    35.00000  109.50000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    70.00000  110.12100
   70    68    69    35.00000  117.00000
   70    73    74    35.00000  117.00000
   70    73    75    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    75    76    35.00000  120.00000
   73    75    77    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   77    63    68    70.00000  124.00000
   77    75    76    35.00000  117.00000
   79    77    78    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    75.00000  110.06800
   66    64    65    35.00000  109.50000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   40    37    39    75.00000  120.83300
   42    40    41    65.00000  121.00000
   38    33    37    85.00000  110.90400
   38    33    54    50.00000  109.50000
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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    39   0.09700  1.0 1.0
   29    33    37    39   0.15600 -1.0 2.0
   29    33    37    39  -0.50800  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    54    53   0.56750  1.0 1.0
   29    33    54    53  -0.07550 -1.0 2.0
   29    33    54    53   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    38    43   0.14700  1.0 1.0
   29    33    38    43  -1.16150 -1.0 2.0
   29    33    38    43   0.48700  1.0 3.0
   33    37    39    47   0.00000  1.0 1.0
   33    37    39    49   0.00000  1.0 1.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    38    43    44   0.37050  1.0 3.0
   33    38    43    45   0.37050  1.0 3.0
   33    38    43    46   0.37050  1.0 3.0
   37    33    54    53   0.56750  1.0 1.0
   37    33    54    53  -0.07550 -1.0 2.0
   37    33    54    53   0.20000  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33    38    43  -0.77900  1.0 1.0
   37    33    38    43  -0.36900 -1.0 2.0
   37    33    38    43   0.40400  1.0 3.0
   37    39    47    48   3.00000 -1.0 2.0
   37    39    47    51   3.00000 -1.0 2.0
   37    39   -49    51   0.00000  1.0 1.0
   37    39    49    50   0.00000  1.0 1.0
   37    39   -49    53   0.00000  1.0 1.0
   39    37    40    41   7.00000 -1.0 2.0
   39    37    40    42   7.00000 -1.0 2.0
   39    47    51    52   0.00000  1.0 1.0
   39    47   -51    49   3.00000 -1.0 2.0
   39    47    51    57   0.00000  1.0 1.0
   39    49    53    54   0.01700  1.0 1.0
   39    49    53    54  -0.23550 -1.0 2.0
   39    49    53    54   0.21350  1.0 3.0
   47    39   -49    51   0.00000  1.0 1.0
   47    39    49    50   0.00000  1.0 1.0
   47    39    49    53   0.00000  1.0 1.0
   47    51   -49    39   3.00000 -1.0 2.0
   47    51   -49    50   0.15000  1.0 3.0
   47    51   -49    53   0.00000  1.0 1.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59  -0.42300  1.0 1.0
   47    51    57    59  -0.07000 -1.0 2.0
   47    51    57    59   0.04150  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    49  -0.11250  1.0 1.0
   48    47    51    49   0.11400 -1.0 2.0
   48    47    51    49  -0.28950  1.0 3.0
   48    47    51    57   0.30150 -1.0 2.0
   51    49    53    54   0.25150  1.0 1.0
   51    49    53    54  -1.17200 -1.0 2.0
   51    49    53    54   0.53050  1.0 3.0
   51    57    59    60   3.04450 -1.0 2.0
   51    57    59    61   1.15000  1.0 1.0
   51    57    59    61   3.04450 -1.0 2.0
   52    51   -49    39   0.15000  1.0 3.0
   52    51    49    50   0.15000  1.0 3.0
   52    51    49    53   0.00000  1.0 1.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59   0.00000  1.0 1.0
   49    39   -47    48   3.00000 -1.0 2.0
   49    39   -47    51   3.00000 -1.0 2.0
   49    51    57    58   0.00000  1.0 1.0
   49    51    57    59  -0.43950  1.0 1.0
   49    51    57    59  -0.08100 -1.0 2.0
   49    51    57    59   0.03350  1.0 3.0
   49    53   -54    33  -0.25000 -1.0 2.0
   49    53   -54    33  -0.01800  1.0 3.0
   49    53    54    55   0.32350  1.0 3.0
   49    53    54    56   0.32350  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   54    33   -37    39  -0.93550  1.0 1.0
   54    33   -37    39   0.38900 -1.0 2.0
   54    33   -37    39   0.16950  1.0 3.0
   54    33    37    40   0.09850  1.0 1.0
   54    33    37    40   0.15250 -1.0 2.0
   54    33    37    40  -0.50650  1.0 3.0
   54    33    38    43   0.06250  1.0 1.0
   54    33    38    43  -0.01100 -1.0 2.0
   54    33    38    43   0.28050  1.0 3.0
   57    51   -49    39   2.20050  1.0 1.0
   57    51   -49    39   0.63450 -1.0 2.0
   57    51   -49    39  -0.91300  1.0 3.0
   57    51    49    50   0.15000  1.0 3.0
   57    51    49    53   0.00000  1.0 1.0
   57    59    61    62   0.00000  1.0 1.0
   57    59    61    63   0.00000  1.0 1.0
   57    59    61    64   0.37150  1.0 1.0
   57    59    61    64   1.25400 -1.0 2.0
   57    59    61    64  -0.40250  1.0 3.0
   58    57    59    60   2.45000 -1.0 2.0
   58    57    59    61   2.45000 -1.0 2.0
   59    61    63    68  -0.51250  1.0 1.0
   59    61    63    68  -0.88800 -1.0 2.0
   59    61    63    68   0.08850  1.0 3.0
   59    61    63    77   0.17250  1.0 1.0
   59    61    63    77  -0.04100 -1.0 2.0
   59    61    63    77  -0.33850  1.0 3.0
   59    61    64    65   0.17350  1.0 3.0
   59    61    64    66   0.17350  1.0 3.0
   59    61    64    67   0.17350  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.30150 -1.0 2.0
   60    59    61    64   0.00000  1.0 1.0
   61    63    68    69   7.00000 -1.0 2.0
   61    63    68    70   7.00000 -1.0 2.0
   61    63    77    75   0.09700  1.0 1.0
   61    63    77    75   0.15600 -1.0 2.0
   61    63    77    75  -0.50800  1.0 3.0
   61    63    77    78   0.34800  1.0 3.0
   61    63    77    79   0.34800  1.0 3.0
   62    61    63    68   0.00000  1.0 1.0
   62    61    63    77   0.34800  1.0 3.0
   62    61    64    65   0.13050  1.0 3.0
   62    61    64    66   0.13050  1.0 3.0
   62    61    64    67   0.13050  1.0 3.0
   63    61    64    65   0.17350  1.0 3.0
   63    61    64    66   0.17350  1.0 3.0
   63    61    64    67   0.17350  1.0 3.0
   63    68    70    71   0.00000  1.0 1.0
   63    68    70    72   0.00000  1.0 1.0
   63    68    70    73  -0.28300  1.0 1.0
   63    68    70    73   0.26700 -1.0 2.0
   63    68    70    73  -0.63300  1.0 3.0
   68    63    77    75  -0.28300  1.0 1.0
   68    63    77    75   0.26700 -1.0 2.0
   68    63    77    75  -0.63300  1.0 3.0
   68    63    77    78   0.00000  1.0 1.0
   68    63    77    79   0.00000  1.0 1.0
   68    70    73    74   0.00000  1.0 1.0
   68    70   -73    75  -0.28300  1.0 1.0
   68    70   -73    75   0.26700 -1.0 2.0
   68    70   -73    75  -0.63300  1.0 3.0
   69    68    70    71   0.33100  1.0 3.0
   69    68    70    72   0.33100  1.0 3.0
   69    68    70    73   0.00000  1.0 1.0
   70    73    75    76   7.00000 -1.0 2.0
   70    73    75    77   7.00000 -1.0 2.0
   71    70    73    74   0.33100  1.0 3.0
   71    70    73    75   0.00000  1.0 1.0
   72    70    73    74   0.33100  1.0 3.0
   72    70    73    75   0.00000  1.0 1.0
   73    75   -77    63  -0.28300  1.0 1.0
   73    75   -77    63   0.26700 -1.0 2.0
   73    75   -77    63  -0.63300  1.0 3.0
   73    75    77    78   0.00000  1.0 1.0
   73    75    77    79   0.00000  1.0 1.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    77   7.00000 -1.0 2.0
   76    75    77    63   0.00000  1.0 1.0
   76    75    77    78   0.33100  1.0 3.0
   76    75    77    79   0.33100  1.0 3.0
   77    63    68    69   7.00000 -1.0 2.0
   77    63   -68    70   7.00000 -1.0 2.0
   64    61    63    68   0.80850  1.0 1.0
   64    61    63    68  -0.47300 -1.0 2.0
   64    61    63    68  -0.52300  1.0 3.0
   64    61    63    77   0.52100  1.0 1.0
   64    61    63    77  -0.20350 -1.0 2.0
   64    61    63    77   0.29750  1.0 3.0
   40    37    39    47   0.00000  1.0 1.0
   40    37    39    49   0.00000  1.0 1.0
   38    33    37    39   0.09700  1.0 1.0
   38    33    37    39   0.15600 -1.0 2.0
   38    33    37    39  -0.50800  1.0 3.0
   38    33    37    40   0.39000  1.0 1.0
   38    33    37    40  -0.05800 -1.0 2.0
   38    33    37    40  -0.55150  1.0 3.0
   38    33    54    53   0.56750  1.0 1.0
   38    33    54    53  -0.07550 -1.0 2.0
   38    33    54    53   0.20000  1.0 3.0
   38    33    54    55   0.23400  1.0 3.0
   38    33    54    56   0.23400  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
   35    30    34    36  10.50000 -1.0 2.0
   33    39    37    40   1.10000 -1.0 2.0
   49    47    39    37   1.00000 -1.0 2.0
   39    51    47    48  10.50000 -1.0 2.0
   58    59    57    51   1.00000 -1.0 2.0
   57    61    59    60  10.50000 -1.0 2.0
   61    77    63    68   1.10000 -1.0 2.0
   70    69    68    63   1.10000 -1.0 2.0
   70    74    73    75   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
END
