* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    156    247     459
    1     0 S   NP   _N1_     1    28.62273    96.05613   -22.66081
    2     1 S   H    _HN1     2     1.02784    97.98594   -90.13646
    3     1 S   H    _H1_     3     1.02952    75.77112    16.87103
    4     1 S   H    _H2_     4     1.02830    38.25376   161.02187
    5     1 S   CT   _CA1     5     1.50107   144.13591   122.13029
    6     5 S   HC   _HA1     6     1.09572   105.21681    83.77967
    7     5 S   CO3  _C1_     7     1.53808   112.47024   -36.48063
    8     7 S   O2Z  _O11     8     1.26369   115.00759   -42.28101
    9     7 S   O2Z  _O12     9     1.26243   114.95970   136.92133
   10     5 S   CT   _CB1    10     1.53092   107.43338  -158.21138
   11    10 S   HC   HB11    11     1.09827   109.42254   -49.77209
   12    10 S   HC   HB12    12     1.09814   110.41945    66.85582
   13    10 S   CT   _CG1    13     1.52964   112.57284  -170.77354
   14    13 S   HC   HG11    14     1.09588   110.55397   -64.30138
   15    13 S   HC   HG12    15     1.09666   109.85826    54.90352
   16    13 S   C    _CD1    16     1.51789   112.35227   175.37657
   17    16 S   O    _OE1    17     1.22710   123.34475     3.21984
   18    16 S   N    _N2_    18     1.38605   111.53069  -176.83016
   19    18 S   H    _HN2    19     1.01578   118.94850     2.12431
   20    18 S   CT1  _CA2    20     1.46238   123.56910   179.07783
   21    20 S   HC   _HA2    21     1.09732   109.43116     1.17069
   22    20 S   C    _C2_    22     1.53527   108.64250  -114.39070
   23    22 S   O    _O2_    23     1.23056   122.32264  -148.69604
   24    20 S   CT   _CB2    32     1.53381   111.17628   123.27152
   25    24 S   HC   HB21    33     1.09433   109.38083    55.79782
   26    24 S   HC   HB22    34     1.09467   110.14465   174.41075
   27    22 S   N    _N3_    24     1.38345   113.69483    38.83015
   28    27 S   H    _HN3    25     1.01592   119.56428    -3.43222
   29    24 S   S    _SG2    35     1.82858   111.04891   -66.74612
   30    27 S   CT   _CA3    26     1.45286   123.17438   177.06789
   31    30 S   HC   HA31    27     1.09550   107.51501   -64.34673
   32    30 S   HC   HA32    28     1.09558   107.97079    52.07775
   33    29 S   CT   _C16    36     1.86801   101.82011   147.89757
   34    30 S   CO3  _C3_    29     1.52948   114.11305   174.07401
   35    34 S   O2Z  _O31    30     1.26374   116.07417    -0.60263
   36    34 S   O2Z  _O32    31     1.26432   114.40947   179.45356
   37    33 S   CT   _C15    37     1.53634   107.50132  -169.43858
   38    37 S   HC   _H8_    38     1.09618   110.25389   165.88720
   39    37 S   HC   _H9_    39     1.09791   111.52718    49.57130
   40    33 S   CT   _C17    75     1.56180   114.14152    70.63852
   41    40 S   HC   _H3_    76     1.09854   107.05259  -170.33627
   42    33 S   OS   _O39    81     1.44832   111.42487   -48.05962
   43    37 S   CO4  _C14    40     1.52170   112.91372   -72.66883
   44    43 S   O    _O35    41     1.23468   119.07035   125.20083
   45    40 S   OH   _O38    77     1.43498   109.60384   -57.32895
   46    45 S   HO   _H11    78     0.97223   108.19867  -168.75682
   47    42 S   CT   _C20    82     1.42083   117.21950   -70.16813
   48    47 S   HC   _H12    83     1.09377   107.82560   170.50837
   49    47 S   HC   _H13    84     1.09251   112.11818    51.69683
   50    47 S   HC   _H14    85     1.09328   110.72982   -71.96561
   51    43 S   CT   _C13    42     1.55931   116.41403   -57.39858
   52    51 S   OM   _O40    43     1.32977   108.30289   172.58508
   53    51 S   CMA  _C12    44     1.57912   112.45441   -68.43499
   54    53 S   OM   _O34    45     1.26949   112.67326   -30.26463
   55    53 S   CM   _C10    46     1.36329   117.92575   150.22391
   56    55 S   CM   _C9_    47     1.45045   123.15600     2.84317
   57    55 S   CO4  _C11    57     1.51166   120.15496  -177.70552
   58    57 S   O    _O33    58     1.22500   122.65831    30.85010
   59    56 S   CM   _C8_    48     1.34072   121.98744   164.74049
   60    59 S   HC   _H7_    49     1.08593   121.78812   179.67979
   61    56 S   CO4  _C19    72     1.49242   120.17587   -15.92385
   62    61 S   O    _O36    73     1.23159   121.54584   176.21328
   63    59 S   CA   _C7_    50     1.46631   120.90949    -2.59390
   64    51 S   CT   _C18    74     1.57084   106.01390    54.93663
   65    63 S   CA   _C21    51     1.40006   118.63894  -171.77472
   66    65 S   HA   _H15    52     1.08775   120.17461    -0.49929
   67    64 S   OH   _O37    79     1.43450   111.30816    70.01643
   68    67 S   HO   _H10    80     0.97286   107.33709  -175.09739
   69    65 S   CA   _C22    53     1.39063   120.01117   179.95154
   70    69 S   CA   _C23    54     1.39832   120.26437    -1.24992
   71    69 S   OH   _O43    70     1.36847   119.92980   178.43677
   72    71 S   HO   _H19    71     0.97240   109.01190     0.44411
   73    70 S   CA   _C5_    55     1.41160   121.21941     0.53008
   74    70 S   CO4  _C24    63     1.47171   118.20852   178.79212
   75    74 S   O    _O41    64     1.21861   123.71823  -107.55716
   76    63 S   CA   _C6_    56     1.41008   121.37953     8.47785
   77    73 S   CT   _C4_    59     1.50804   120.30759  -178.49676
   78    77 S   HC   _H4_    60     1.09422   110.20643  -100.75172
   79    77 S   HC   _H5_    61     1.09406   112.54714    20.00823
   80    77 S   HC   _H6_    62     1.09495   110.79751   137.29367
   81    74 S   OS   _O42    65     1.35603   107.78257    74.04584
   82    81 S   CT   _C25    66     1.42987   114.83996   179.22041
   83    82 S   HC   _H16    67     1.09327   108.12930   179.43803
   84    82 S   HC   _H17    68     1.09431   110.32317    60.71476
   85    82 S   HC   _H18    69     1.09429   110.26812   -61.85543
  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  11   5   4   3
  18   2   1   1  13   6   5  15   7   7   9   4   5   1   3   2
   1   1  11   6  10   4  11  11   9   3  10   4   5   2   8   2
   8   4   1   1   9  12   3   1   8   8   2   4   3   2   1   1
   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    64    40    41    45    42    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    51    61    64    40    41    45    46    67    42    47    48    49    50  
   35    36  
   36  
    0  
   38    39    43    44    51    52    53    64    40    41    45    42    47  
   39    43    44    51    40    42  
   43    44    51    40    42  
   41    45    46    67    68    42    47    43    51    52    53    56    61    62    64  
   45    46    67    42    51    61    64  
   47    48    49    50    43    45    64  
   44    51    52    53    54    55    61    64    67  
   51    52    53    64  
   46    67    51    61    64  
   64  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    61    62    64    67    68  
   53    54    55    61    64    67  
   54    55    56    59    76    57    58    61    64    67  
   55    56    57    64  
   56    59    60    63    73    76    57    58    61    62    64  
   59    60    63    65    76    57    58    61    62    64    67  
   58    77    61    59    63    65    70    73    76  
   63    73    76  
   60    63    65    66    69    73    76    61    62    64  
   63    65    76    61  
   62    64    67    68    63  
   64    67  
   65    66    69    70    73    76    77    71  
   67    68  
   66    69    70    73    76    74    71    72  
   69    70    76    71  
   68  
    0  
   70    73    76    77    74    75    81    71    72  
   73    76    77    78    79    80    74    75    81    82    71    72  
   72    73    74  
    0  
   76    77    78    79    80    74    75    81  
   75    81    82    83    84    85    76    77  
   81    82  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   0.348900   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   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   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   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   53   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5000   0.0660  -0.065000   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
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   82   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   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    40   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    51   317.000  1.522
   51    52   570.000  1.307
   51    53   270.000  1.512
   51    64   268.000  1.529
   53    54   745.000  1.250
   53    55   465.000  1.376
   55    56   380.000  1.444
   55    57   320.000  1.462
   56    59   549.000  1.340
   56    61   320.000  1.462
   59    60   340.000  1.080
   59    63   320.000  1.460
   63    65   469.000  1.400
   63    76   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   469.000  1.400
   69    71   450.000  1.364
   70    73   469.000  1.400
   70    74   310.000  1.470
   73    76   469.000  1.400
   73    77   317.000  1.510
   76    57   310.000  1.470
   57    58   570.000  1.229
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   74    75   570.000  1.229
   74    81   214.000  1.327
   81    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   71    72   553.000  0.945
   61    62   570.000  1.229
   61    64   317.000  1.522
   64    40   268.000  1.529
   64    67   320.000  1.410
   40    41   340.000  1.090
   40    45   320.000  1.410
   45    46   553.000  0.945
   67    68   553.000  0.945
   42    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    40    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    40    64    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    45    50.00000  109.50000
   33    42    47    60.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    51    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    51    52    90.00000  108.74100
   43    51    53    70.00000  109.06800
   43    51    64    63.00000  111.10000
   51    43    44    80.00000  120.40000
   51    53    54    85.00000  112.85300
   51    53    55    65.00000  122.18000
   51    64    61    63.00000  111.10000
   51    64    40    58.35000  112.70000
   51    64    67    50.00000  109.50000
   53    51    52    85.00000  110.90400
   53    55    56    70.00000  117.34000
   53    55    57    60.00000  125.92000
   55    53    54    65.00000  137.10300
   55    56    59    70.00000  123.01800
   55    56    61    65.00000  118.96000
   55    57    76    65.00000  117.02400
   55    57    58    80.00000  123.72100
   56    59    60    35.00000  120.00000
   56    59    63    60.00000  123.20500
   56    61    62    80.00000  123.72100
   56    61    64    65.00000  118.62400
   59    63    65    60.00000  120.93500
   59    63    76    60.00000  120.93500
   63    59    60    40.00000  117.26300
   63    65    66    35.00000  120.00000
   63    65    69    63.00000  120.00000
   63    76    73    63.00000  120.00000
   63    76    57    60.00000  119.52600
   65    69    70    63.00000  120.00000
   65    69    71    70.00000  120.00000
   69    65    66    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    70    74    60.00000  119.52600
   69    71    72    35.00000  113.00000
   70    73    76    63.00000  120.00000
   70    73    77    70.00000  120.00000
   70    74    75    75.00000  123.78400
   70    74    81    81.00000  111.40000
   73    76    57    60.00000  119.52600
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   76    63    65    63.00000  120.00000
   76    57    58    75.00000  123.78400
   57    55    56    65.00000  118.96000
   77    73    76    70.00000  120.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   74    70    73    60.00000  119.52600
   74    81    82    83.00000  116.90000
   81    74    75    83.00000  123.40000
   81    82    83    35.00000  109.50000
   81    82    84    35.00000  109.50000
   81    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   71    69    70    70.00000  120.00000
   61    56    59    65.00000  118.96000
   61    64    40    63.00000  111.10000
   61    64    67    90.00000  109.61100
   64    51    52    50.00000  109.50000
   64    51    53    70.00000  112.02700
   64    61    62    80.00000  120.40000
   64    40    41    37.50000  110.70000
   64    40    45    50.00000  109.50000
   64    67    68    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    45    46    55.00000  108.50000
   45    40    41    35.00000  109.50000
   67    64    40    50.00000  109.50000
   42    33    37    50.00000  109.50000
   42    33    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    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
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    64   0.44750  1.0 1.0
   29    33    40    64  -0.17800 -1.0 2.0
   29    33    40    64   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
   29    33    42    47   0.14700  1.0 1.0
   29    33    42    47  -1.16150 -1.0 2.0
   29    33    42    47   0.48700  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    51   0.60050  1.0 1.0
   33    37    43    51   0.05600 -1.0 2.0
   33    37    43    51   0.26150  1.0 3.0
   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
   33    42    47    48   0.37050  1.0 3.0
   33    42    47    49   0.37050  1.0 3.0
   33    42    47    50   0.37050  1.0 3.0
   37    33    40    64   0.56750  1.0 1.0
   37    33    40    64  -0.07550 -1.0 2.0
   37    33    40    64   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    45   0.86500  1.0 1.0
   37    33    40    45  -0.17500 -1.0 2.0
   37    33    40    45   0.20800  1.0 3.0
   37    33    42    47   0.06250  1.0 1.0
   37    33    42    47  -0.01100 -1.0 2.0
   37    33    42    47   0.28050  1.0 3.0
   37    43    51    52   0.55300  1.0 1.0
   37    43    51    52   1.25850 -1.0 2.0
   37    43    51    52  -0.23600  1.0 3.0
   37    43    51    53   0.65300  1.0 1.0
   37    43    51    53  -0.03850 -1.0 2.0
   37    43    51    53   0.33900  1.0 3.0
   37    43   -51    64   0.60050  1.0 1.0
   37    43   -51    64   0.05600 -1.0 2.0
   37    43   -51    64   0.26150  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    51   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    51   0.00000  1.0 1.0
   43    51    53    54   0.09700  1.0 1.0
   43    51    53    54   0.15600 -1.0 2.0
   43    51    53    54  -0.50800  1.0 3.0
   43    51    53    55  -0.51250  1.0 1.0
   43    51    53    55  -0.88800 -1.0 2.0
   43    51    53    55   0.08850  1.0 3.0
   43    51    64    61   0.11950  1.0 1.0
   43    51    64    61   0.20300 -1.0 2.0
   43    51    64    61  -0.70800  1.0 3.0
   43    51    64    40  -0.95700  1.0 1.0
   43    51    64    40  -0.18200 -1.0 2.0
   43    51    64    40   0.29450  1.0 3.0
   43    51    64    67  -0.09450  1.0 1.0
   43    51    64    67  -1.12950 -1.0 2.0
   43    51    64    67   0.54000  1.0 3.0
   44    43    51    52   0.30150 -1.0 2.0
   44    43    51    53   0.30150 -1.0 2.0
   44    43    51    64   0.30150 -1.0 2.0
   51    53    55    56   7.00000 -1.0 2.0
   51    53    55    57   7.00000 -1.0 2.0
   51    64   -40    33   0.56750  1.0 1.0
   51    64   -40    33  -0.07550 -1.0 2.0
   51    64   -40    33   0.20000  1.0 3.0
   51    64    40    41   0.15000  1.0 3.0
   51    64    40    45   0.86500  1.0 1.0
   51    64    40    45  -0.17500 -1.0 2.0
   51    64    40    45   0.20800  1.0 3.0
   51    64    67    68  -0.11600  1.0 1.0
   51    64    67    68  -0.09450 -1.0 2.0
   51    64    67    68   0.21250  1.0 3.0
   52    51    53    54   0.09700  1.0 1.0
   52    51    53    54   0.15600 -1.0 2.0
   52    51    53    54  -0.50800  1.0 3.0
   52    51    53    55   0.39000  1.0 1.0
   52    51    53    55  -0.05800 -1.0 2.0
   52    51    53    55  -0.55150  1.0 3.0
   52    51    64    61  -0.09450  1.0 1.0
   52    51    64    61  -1.12950 -1.0 2.0
   52    51    64    61   0.54000  1.0 3.0
   52    51    64    40   0.62750  1.0 1.0
   52    51    64    40  -0.30950 -1.0 2.0
   52    51    64    40   0.27300  1.0 3.0
   52    51    64    67   3.69350  1.0 1.0
   52    51    64    67  -1.82950 -1.0 2.0
   53    51    64    61  -0.98800  1.0 1.0
   53    51    64    61   0.48800 -1.0 2.0
   53    51    64    61   0.76800  1.0 3.0
   53    51    64    40   0.34400  1.0 1.0
   53    51    64    40   0.09450 -1.0 2.0
   53    51    64    40   0.11100  1.0 3.0
   53    51    64    67   1.05650  1.0 1.0
   53    51    64    67   0.15600 -1.0 2.0
   53    51    64    67   0.53150  1.0 3.0
   53    55    56    59   0.28850  1.0 1.0
   53    55    56    59   2.61350 -1.0 2.0
   53    55    56    59   0.78400  1.0 3.0
   53    55   -56    61  -0.18600  1.0 3.0
   53    55    57    76  -1.65800  1.0 1.0
   53    55    57    76   0.77650 -1.0 2.0
   53    55    57    58   1.00000 -1.0 2.0
   54    53    55    56   7.00000 -1.0 2.0
   54    53    55    57   7.00000 -1.0 2.0
   55    56    59    60   7.00000 -1.0 2.0
   55    56    59    63   7.00000 -1.0 2.0
   55    56    61    62   1.00000 -1.0 2.0
   55    56    61    64  -0.33500  1.0 1.0
   55    56    61    64   1.06600 -1.0 2.0
   55    56    61    64  -0.14000  1.0 3.0
   56    55    57    76  -1.65800  1.0 1.0
   56    55    57    76   0.77650 -1.0 2.0
   56    55    57    58   1.00000 -1.0 2.0
   56    59    63    65   0.15800  1.0 1.0
   56    59    63    65   1.85350 -1.0 2.0
   56    59    63    65  -0.48700  1.0 3.0
   56    59   -63    76   0.15800  1.0 1.0
   56    59   -63    76   1.85350 -1.0 2.0
   56    59   -63    76  -0.48700  1.0 3.0
   56    61   -64    51   0.65300  1.0 1.0
   56    61   -64    51  -0.03850 -1.0 2.0
   56    61   -64    51   0.33900  1.0 3.0
   56    61    64    40   0.65300  1.0 1.0
   56    61    64    40  -0.03850 -1.0 2.0
   56    61    64    40   0.33900  1.0 3.0
   56    61    64    67   0.65300  1.0 1.0
   56    61    64    67  -0.03850 -1.0 2.0
   56    61    64    67   0.33900  1.0 3.0
   59    56    61    62   1.00000 -1.0 2.0
   59    56    61    64  -0.33500  1.0 1.0
   59    56    61    64   1.06600 -1.0 2.0
   59    56    61    64  -0.14000  1.0 3.0
   59    63    65    66   3.62500 -1.0 2.0
   59    63    65    69   3.62500 -1.0 2.0
   59    63    76    73   3.62500 -1.0 2.0
   59    63    76    57   3.62500 -1.0 2.0
   60    59    63    65   0.56550  1.0 3.0
   60    59    63    76   0.56550  1.0 3.0
   63    65    69    70   3.62500 -1.0 2.0
   63    65    69    71   3.62500 -1.0 2.0
   63    76   -57    55  -0.11500  1.0 1.0
   63    76   -57    55   1.10450 -1.0 2.0
   63    76   -57    55  -0.48050  1.0 3.0
   63    76    57    58   1.05000 -1.0 2.0
   65    63    76    73   3.62500 -1.0 2.0
   65    63    76    57   3.62500 -1.0 2.0
   65    69   -70    73   3.62500 -1.0 2.0
   65    69    70    74   3.62500 -1.0 2.0
   65    69    71    72   0.84100 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    70    73    76   3.62500 -1.0 2.0
   69    70    73    77   3.62500 -1.0 2.0
   69    70    74    75   1.05000 -1.0 2.0
   69    70    74    81   0.98750 -1.0 2.0
   70    69    71    72   0.84100 -1.0 2.0
   70    73   -76    63   3.62500 -1.0 2.0
   70    73    76    57   3.62500 -1.0 2.0
   70    73    77    78   0.00000  1.0 1.0
   70    73    77    79   0.00000  1.0 1.0
   70    73    77    80   0.00000  1.0 1.0
   70    74    81    82   0.59950  1.0 1.0
   70    74    81    82   3.24850 -1.0 2.0
   73    70    74    75   1.05000 -1.0 2.0
   73    70    74    81   0.98750 -1.0 2.0
   73    76    57    55  -0.11500  1.0 1.0
   73    76    57    55   1.10450 -1.0 2.0
   73    76    57    55  -0.48050  1.0 3.0
   73    76    57    58   1.05000 -1.0 2.0
   76    63    65    66   3.62500 -1.0 2.0
   76    63   -65    69   3.62500 -1.0 2.0
   76    73    77    78   0.00000  1.0 1.0
   76    73    77    79   0.00000  1.0 1.0
   76    73    77    80   0.00000  1.0 1.0
   57    55   -56    59  -0.18600  1.0 3.0
   57    55    56    61   1.08500 -1.0 2.0
   77    73    76    63   3.62500 -1.0 2.0
   77    73    76    57   3.62500 -1.0 2.0
   74    70    73    76   3.62500 -1.0 2.0
   74    70    73    77   3.62500 -1.0 2.0
   74    81    82    83   0.08050  1.0 3.0
   74    81    82    84   0.08050  1.0 3.0
   74    81    82    85   0.08050  1.0 3.0
   75    74    81    82   3.00000 -1.0 2.0
   71    69    70    73   3.62500 -1.0 2.0
   71    69    70    74   3.62500 -1.0 2.0
   61    56    59    60   7.00000 -1.0 2.0
   61    56    59    63   7.00000 -1.0 2.0
   61    64    40    33  -0.95700  1.0 1.0
   61    64    40    33  -0.18200 -1.0 2.0
   61    64    40    33   0.29450  1.0 3.0
   61    64    40    41  -0.11250  1.0 3.0
   61    64    40    45  -0.09450  1.0 1.0
   61    64    40    45  -1.12950 -1.0 2.0
   61    64    40    45   0.54000  1.0 3.0
   61    64    67    68   0.91850  1.0 1.0
   61    64    67    68   0.57950  1.0 3.0
   62    61    64    51   0.30150 -1.0 2.0
   62    61    64    40   0.30150 -1.0 2.0
   62    61    64    67   0.30150 -1.0 2.0
   64    51    53    54   0.09700  1.0 1.0
   64    51    53    54   0.15600 -1.0 2.0
   64    51    53    54  -0.50800  1.0 3.0
   64    51   -53    55   0.09850  1.0 1.0
   64    51   -53    55   0.15250 -1.0 2.0
   64    51   -53    55  -0.50650  1.0 3.0
   64    40    45    46  -0.11600  1.0 1.0
   64    40    45    46  -0.09450 -1.0 2.0
   64    40    45    46   0.21250  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    43  -0.95700  1.0 1.0
   40    33   -37    43  -0.18200 -1.0 2.0
   40    33   -37    43   0.29450  1.0 3.0
   40    33    42    47   0.06250  1.0 1.0
   40    33    42    47  -0.01100 -1.0 2.0
   40    33    42    47   0.28050  1.0 3.0
   40    64    67    68  -0.11600  1.0 1.0
   40    64    67    68  -0.09450 -1.0 2.0
   40    64    67    68   0.21250  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   67    64    40    33   0.86500  1.0 1.0
   67    64    40    33  -0.17500 -1.0 2.0
   67    64    40    33   0.20800  1.0 3.0
   67    64    40    41   0.23400  1.0 3.0
   67    64    40    45   3.75450  1.0 1.0
   42    33    37    38   0.23400  1.0 3.0
   42    33    37    39   0.23400  1.0 3.0
   42    33    37    43  -0.09450  1.0 1.0
   42    33    37    43  -1.12950 -1.0 2.0
   42    33    37    43   0.54000  1.0 3.0
   42    33    40    64   0.62750  1.0 1.0
   42    33    40    64  -0.30950 -1.0 2.0
   42    33    40    64   0.27300  1.0 3.0
   42    33    40    41   0.23400  1.0 3.0
   42    33    40    45   3.69350  1.0 1.0
   42    33    40    45  -1.82950 -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    51    43    44  10.50000 -1.0 2.0
   51    54    53    55   1.10000 -1.0 2.0
   56    57    55    53   1.10000 -1.0 2.0
   55    61    56    59   1.10000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   65    76    63    59   4.00000 -1.0 2.0
   69    66    65    63   1.10000 -1.0 2.0
   70    71    69    65   4.00000 -1.0 2.0
   73    74    70    69   4.00000 -1.0 2.0
   76    77    73    70   4.00000 -1.0 2.0
   73    57    76    63   4.00000 -1.0 2.0
   55    76    57    58  10.50000 -1.0 2.0
   70    81    74    75  10.50000 -1.0 2.0
   56    64    61    62  10.50000 -1.0 2.0
END
