* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    164    241     471
    1     0 S   NP   _N1_     1    30.19327    91.13941   -18.19163
    2     1 S   H    _HN1     2     1.02813    20.19173    53.31613
    3     1 S   H    _H1_     3     1.03031   111.13944   -30.36024
    4     1 S   H    _H2_     4     1.02941   122.03573    99.10800
    5     1 S   CT   _CA1     5     1.50160    91.71427  -145.22814
    6     5 S   HC   _HA1     6     1.09560   105.21802    53.15211
    7     5 S   CO3  _C1_     7     1.53712   112.68979   -67.39670
    8     7 S   O2Z  _O11     8     1.26373   115.02787   -42.16209
    9     7 S   O2Z  _O12     9     1.26232   114.95121   137.09378
   10     5 S   CT   _CB1    10     1.52915   107.42898   171.27803
   11    10 S   HC   HB11    11     1.09590   109.33315   -49.66319
   12    10 S   HC   HB12    12     1.09814   110.35537    66.43943
   13    10 S   CT   _CG1    13     1.53106   113.08250  -170.74038
   14    13 S   HC   HG11    14     1.09553   111.18341   -73.05405
   15    13 S   HC   HG12    15     1.09602   110.78871    46.57993
   16    13 S   C    _CD1    16     1.51423   109.86460   165.74466
   17    16 S   O    _OE1    17     1.22806   121.63752  -104.06371
   18    16 S   N    _N2_    18     1.38262   112.83154    73.79579
   19    18 S   H    _HN2    19     1.01545   119.19484     9.22104
   20    18 S   CT1  _CA2    20     1.45938   123.01042  -173.45357
   21    20 S   HC   _HA2    21     1.09494   108.61528    21.55026
   22    20 S   C    _C2_    22     1.52523   107.14032   -96.15806
   23    22 S   O    _O2_    23     1.23004   122.61925   -37.89214
   24    20 S   CT   _CB2    32     1.53338   111.73098   143.72161
   25    24 S   HC   HB21    33     1.09407   109.48769    57.66104
   26    24 S   HC   HB22    34     1.09344   110.32469   176.75762
   27    22 S   N    _N3_    24     1.38450   112.77033   144.18295
   28    27 S   H    _HN3    25     1.01674   120.28549     0.67435
   29    24 S   S    _SG2    35     1.82588   109.88909   -62.67146
   30    27 S   CT   _CA3    26     1.45365   122.57190   179.27801
   31    30 S   HC   HA31    27     1.09552   107.04929   -76.01732
   32    30 S   HC   HA32    28     1.09568   108.51328    40.41664
   33    29 S   CT   _C18    36     1.85445   101.74665   177.83771
   34    30 S   CO3  _C3_    29     1.52918   114.54133   162.77936
   35    34 S   O2Z  _O31    30     1.26285   116.26141    -1.40472
   36    34 S   O2Z  _O32    31     1.26502   114.30252   178.85158
   37    33 S   CM   _C17    37     1.52394   107.37615   179.31557
   38    33 S   CT   _C19    86     1.53550   110.03508   -61.76743
   39    38 S   HC   _H18    87     1.09533   111.85362    71.49191
   40    38 S   HC   _H19    88     1.09574   112.90379   -51.59588
   41    38 S   HC   _H20    89     1.09785   110.25691  -171.96454
   42    37 S   CMA  _C16    38     1.35073   124.45619  -115.74259
   43    42 S   OM   _O45    39     1.26212   130.53534  -178.83601
   44    37 S   OH   _O44    84     1.39099   115.29325    65.65502
   45    44 S   HO   _H21    85     0.97528   105.78994   178.94353
   46    42 S   CT   _C15    40     1.51719   117.32423     1.11417
   47    46 S   HC   _H16    41     1.10002   112.08797   141.91574
   48    46 S   HC   _H17    42     1.10040   108.69164  -101.10696
   49    46 S   CT   _C14    43     1.53030   112.77685    20.17073
   50    49 S   HC   _H6_    44     1.09620   110.57226    70.21430
   51    33 S   OS   _O43    45     1.43851   112.01216    55.28821
   52    49 S   OS   _O42    46     1.42676   106.86195  -170.76914
   53    52 S   P2   _P2_    47     1.63260   119.75394  -145.37402
   54    53 S   O2Z  _O41    48     1.51201   108.84781   -50.71265
   55    53 S   O2Z  _O40    49     1.51276   107.62635   176.86362
   56    53 S   OS   _O39    50     1.62712    98.87895    63.64133
   57    56 S   P2   _P1_    51     1.62604   131.85319  -177.58346
   58    57 S   O2Z  _O38    52     1.51205   109.29226   -50.45273
   59    57 S   O2Z  _O37    53     1.51433   108.45190   176.82639
   60    57 S   OS   _O36    54     1.63204   100.05810    63.12051
   61    60 S   CT   _C13    55     1.41944   119.55944    61.97347
   62    61 S   HC   _H14    56     1.09412   108.57899  -101.86665
   63    61 S   HC   _H15    57     1.09521   111.31366    15.06921
   64    61 S   CT   _C12    58     1.52367   109.36781   138.37710
   65    64 S   HC   _H5_    59     1.09566   109.68167    55.94126
   66    64 S   CT   _C11    60     1.52856   113.14840   -68.65019
   67    66 S   HC   _H4_    61     1.09328   114.58086    29.80761
   68    66 S   CT   _C10    62     1.51235   103.08273   -93.60272
   69    68 S   HC   _H12    63     1.09580   109.69221    83.05530
   70    68 S   HC   _H13    64     1.09431   114.18812  -155.00832
   71    66 S   OH   _O46    82     1.42742   109.81381   151.24049
   72    71 S   HO   _H22    83     0.97321   107.21083   -63.37713
   73    68 S   CO   _C9_    65     1.52388   101.54922   -34.83114
   74    73 S   HC   _H3_    66     1.09661   109.34705   -80.58584
   75    73 S   N*   _N4_    67     1.46581   114.27052   156.50712
   76    64 S   OS   _O35    81     1.44056   107.91874   173.34468
   77    75 S   CM   _C6_    68     1.38295   119.65687   -71.17027
   78    77 S   HC   _H10    69     1.08517   116.04432     1.56623
   79    77 S   CM   _C5_    70     1.33866   123.71267  -178.42915
   80    79 S   C    _C8_    71     1.48441   118.21838     1.28922
   81    80 S   O    _O34    72     1.22844   121.72911   174.57054
   82    79 S   CT   _C4_    77     1.49460   123.83956  -179.37693
   83    82 S   HC   _H7_    78     1.09490   110.44628   123.32843
   84    82 S   HC   _H8_    79     1.09482   111.89171     3.69703
   85    82 S   HC   _H9_    80     1.09481   110.45524  -116.64328
   86    80 S   NNB  _N5_    73     1.38104   115.02205    -4.15614
   87    86 S   H    _H11    74     1.01443   116.84245  -178.27603
   88    75 S   C    _C7_    75     1.40106   119.06444   108.17980
   89    88 S   O    _O33    76     1.23227   124.69617    -1.66436
  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
  14   2   1   1  13   7   3   2   1  10   5   3   1   7   5   4
   7   3   2   5   7   3   2   5   7   3   2   7  10   5   4  12
   6  10   7  10   6   5   3   1   9   4  10   2  11   4   9   9
   4   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    49    51    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    49    50    51    52    44    45    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    47    48    49    51    44    45    38    39    40    41  
   39    40    41    42    44    49    51  
   40    41    51  
   41    51  
   51  
   43    46    47    48    49    50    51    52    44    45  
   46    47    48    49    44  
   45    46    51  
    0  
   47    48    49    50    51    52    53  
   48    49    50    51    52  
   49    50    51    52  
   50    51    52    53    54    55    56  
   51    52    53  
   52    53  
   53    54    55    56    57  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57    58    59    60    61  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61    62    63    64    65    66    76  
   62    63    64    65    66    67    68    73    76    71  
   63    64    65    66    76  
   64    65    66    76  
   65    66    67    68    69    70    73    74    75    76    71    72  
   66    67    68    73    76    71  
   67    68    69    70    73    74    75    76    71    72  
   68    69    70    73    76    71    72  
   69    70    73    74    75    77    88    76    71    72  
   70    73    74    75    76    71  
   73    74    75    76    71  
   72    73    76  
    0  
   74    75    77    78    79    86    88    89    76  
   75    77    88    76  
   77    78    79    80    86    87    88    89    82    76  
   77    88  
   78    79    80    81    86    88    89    82    83    84    85  
   79    80    88    82  
   80    81    86    87    88    82    83    84    85  
   81    86    87    88    89    82    83    84    85  
   86    87    88    82  
   83    84    85    86  
   84    85  
   85  
    0  
   87    88    89  
   88    89  
   89  
    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  -0.621400   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.392500   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   2.8500   0.1400  -0.632500   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   57   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.655000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.0000   0.0000   0.390000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.510000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   75   3.2500   0.1700  -0.600000   1.8100   1.6000   0.054801302  -1.445846770
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0800   0.080000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0800  -0.070000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.7500   0.1050   0.450000   1.9250   1.7000   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.420000   1.5250   1.4250   0.001000000  -1.480495490
   82   3.5000   0.0800  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0500   0.080000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0500   0.080000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0500   0.080000   1.4250   1.2500   0.008598240   0.268726247
   86   3.2500   0.1700  -0.510000   1.8100   1.6000   0.054801302  -1.445846770
   87   0.5000   0.0300   0.360000   1.5900   1.4000   0.030040813  -0.651083722
   88   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.400000   1.5250   1.4250   0.001000000  -1.480495490
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    51   320.000  1.410
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   510.000  1.338
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   320.000  1.410
   49    52   320.000  1.410
   52    53   230.000  1.697
   53    54   525.000  1.480
   53    55   525.000  1.480
   53    56   230.000  1.697
   56    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    60   230.000  1.697
   60    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    76   320.000  1.410
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    71   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   250.000  1.527
   73    74   340.000  1.090
   73    75   275.000  1.479
   73    76   320.000  1.380
   75    77   448.000  1.365
   75    88   418.000  1.388
   77    78   340.000  1.080
   77    79   549.000  1.340
   79    80   410.000  1.444
   79    82   317.000  1.510
   80    81   570.000  1.229
   80    86   418.000  1.388
   86    87   434.000  1.010
   86    88   418.000  1.388
   88    89   570.000  1.229
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   71    72   553.000  0.945
   44    45   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    51    85.00000  114.68000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    90.00000  109.34000
   33    51    49    60.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    46    65.00000  122.18000
   37    44    45    70.00000  107.45700
   42    46    47    45.00000  110.52000
   42    46    48    45.00000  110.52000
   42    46    49    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    49    50    37.50000  110.70000
   46    49    51    50.00000  109.50000
   46    49    52    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53   100.00000  120.50000
   51    33    37    85.00000  110.90400
   51    49    50    35.00000  109.50000
   52    49    50    35.00000  109.50000
   52    49    51   110.00000  112.65000
   52    53    54   100.00000  108.23000
   52    53    55   100.00000  108.23000
   52    53    56    45.00000  102.60000
   53    56    57    50.00000  132.62000
   55    53    54   140.00000  119.90000
   56    53    54   100.00000  108.23000
   56    53    55   100.00000  108.23000
   56    57    58   100.00000  108.23000
   56    57    59   100.00000  108.23000
   56    57    60    45.00000  102.60000
   57    60    61   100.00000  120.50000
   59    57    58   140.00000  119.90000
   60    57    58   100.00000  108.23000
   60    57    59   100.00000  108.23000
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    50.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    76    50.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    58.35000  112.70000
   64    66    71    50.00000  109.50000
   64    76    73    60.00000  109.50000
   66    64    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    73    75.00000  109.43000
   66    71    72    55.00000  108.50000
   68    66    67    37.50000  110.70000
   68    73    74    45.00000  112.01100
   68    73    75    75.00000  107.44000
   68    73    76    90.00000  108.56700
   70    68    69    33.00000  107.80000
   73    68    69    45.00000  108.72000
   73    68    70    45.00000  108.72000
   73    75    77    70.00000  121.20000
   73    75    88    70.00000  117.60000
   75    73    74    55.00000  103.44000
   75    77    78    35.00000  119.10000
   75    77    79    70.00000  121.20000
   75    88    86    70.00000  118.60000
   75    88    89    80.00000  120.60000
   77    79    80    70.00000  118.70000
   77    79    82    70.00000  124.00000
   79    77    78    35.00000  120.00000
   79    80    81    80.00000  125.30000
   79    80    86    70.00000  114.10000
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   80    86    87    35.00000  116.80000
   80    86    88    70.00000  126.40000
   86    80    81    80.00000  120.60000
   86    88    89    80.00000  120.60000
   88    75    77    70.00000  121.60000
   88    86    87    35.00000  116.80000
   82    79    80    70.00000  119.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   76    64    65    35.00000  109.50000
   76    64    66    50.00000  109.50000
   76    73    74    35.00000  109.50000
   76    73    75   105.00000  106.22000
   71    66    67    35.00000  109.50000
   71    66    68    50.00000  109.50000
   44    37    42    80.00000  121.38400
   38    33    37    70.00000  112.02700
   38    33    51    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    51   0.13850  1.0 1.0
   24    29    33    51  -1.34450 -1.0 2.0
   24    29    33    51   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.09700  1.0 1.0
   29    33    37    44   0.15600 -1.0 2.0
   29    33    37    44  -0.50800  1.0 3.0
   29    33    51    49   0.14700  1.0 1.0
   29    33    51    49  -1.16150 -1.0 2.0
   29    33    51    49   0.48700  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    37    44    45   2.00000 -1.0 2.0
   37    33    51    49  -0.77900  1.0 1.0
   37    33    51    49  -0.36900 -1.0 2.0
   37    33    51    49   0.40400  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    47   0.00000  1.0 1.0
   37    42    46    48   0.00000  1.0 1.0
   37    42   -46    49   0.09850  1.0 1.0
   37    42   -46    49   0.15250 -1.0 2.0
   37    42   -46    49  -0.50650  1.0 3.0
   42    37    44    45  -0.66100  1.0 1.0
   42    37    44    45   1.20850 -1.0 2.0
   42    37    44    45  -0.36000  1.0 3.0
   42    46    49    50   0.15000  1.0 3.0
   42    46    49    51   0.61850  1.0 1.0
   42    46    49    51  -0.22750 -1.0 2.0
   42    46    49    51   0.15300  1.0 3.0
   42    46    49    52   0.61850  1.0 1.0
   42    46    49    52  -0.22750 -1.0 2.0
   42    46    49    52   0.15300  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    49   0.09700  1.0 1.0
   43    42    46    49   0.15600 -1.0 2.0
   43    42    46    49  -0.50800  1.0 3.0
   46    49   -51    33   0.06250  1.0 1.0
   46    49   -51    33  -0.01100 -1.0 2.0
   46    49   -51    33   0.28050  1.0 3.0
   46    49    52    53  -2.65550  1.0 1.0
   46    49    52    53  -0.22350 -1.0 2.0
   46    49    52    53   0.24150  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.23400  1.0 3.0
   47    46    49    52   0.23400  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.23400  1.0 3.0
   48    46    49    52   0.23400  1.0 3.0
   49    52    53    54   0.00000  1.0 1.0
   49    52    53    55   0.00000  1.0 1.0
   49    52    53    56   0.05050  1.0 1.0
   49    52    53    56  -1.30700 -1.0 2.0
   49    52    53    56   0.91550  1.0 3.0
   50    49    51    33   0.37050  1.0 3.0
   50    49    52    53   0.03000  1.0 3.0
   51    33   -37    42   0.39000  1.0 1.0
   51    33   -37    42  -0.05800 -1.0 2.0
   51    33   -37    42  -0.55150  1.0 3.0
   51    33    37    44   0.09700  1.0 1.0
   51    33    37    44   0.15600 -1.0 2.0
   51    33    37    44  -0.50800  1.0 3.0
   51    33    38    39   0.23400  1.0 3.0
   51    33    38    40   0.23400  1.0 3.0
   51    33    38    41   0.23400  1.0 3.0
   51    49    52    53   0.37500  1.0 3.0
   52    49    51    33  -0.81800  1.0 1.0
   52    53    56    57   0.15000  1.0 3.0
   53    56    57    58   0.50000  1.0 3.0
   53    56    57    59   0.50000  1.0 3.0
   53    56    57    60   0.15000  1.0 3.0
   54    53    56    57   0.50000  1.0 3.0
   55    53    56    57   0.50000  1.0 3.0
   56    57    60    61   0.05050  1.0 1.0
   56    57    60    61  -1.30700 -1.0 2.0
   56    57    60    61   0.91550  1.0 3.0
   57    60    61    62   0.03000  1.0 3.0
   57    60    61    63   0.03000  1.0 3.0
   57    60    61    64  -2.65550  1.0 1.0
   57    60    61    64  -0.22350 -1.0 2.0
   57    60    61    64   0.24150  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   60    61    64    65   0.23400  1.0 3.0
   60    61    64    66   0.62750  1.0 1.0
   60    61    64    66  -0.30950 -1.0 2.0
   60    61    64    66   0.27300  1.0 3.0
   60    61    64    76   1.11900  1.0 1.0
   60    61    64    76  -1.16350 -1.0 2.0
   60    61    64    76  -0.34150  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.56750  1.0 1.0
   61    64    66    68  -0.07550 -1.0 2.0
   61    64    66    68   0.20000  1.0 3.0
   61    64    66    71   0.86500  1.0 1.0
   61    64    66    71  -0.17500 -1.0 2.0
   61    64    66    71   0.20800  1.0 3.0
   61    64    76    73   0.06250  1.0 1.0
   61    64    76    73  -0.01100 -1.0 2.0
   61    64    76    73   0.28050  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    76   0.23400  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    76   0.23400  1.0 3.0
   64    66    68    69   0.15000  1.0 3.0
   64    66    68    70   0.15000  1.0 3.0
   64    66   -68    73   3.97050  1.0 1.0
   64    66    71    72  -0.11600  1.0 1.0
   64    66    71    72  -0.09450 -1.0 2.0
   64    66    71    72   0.21250  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    71   0.23400  1.0 3.0
   65    64    76    73   0.37050  1.0 3.0
   66    64   -76    73   0.06250  1.0 1.0
   66    64   -76    73  -0.01100 -1.0 2.0
   66    64   -76    73   0.28050  1.0 3.0
   66    68    73    74   0.15000  1.0 3.0
   66    68    73    75  -0.27100  1.0 1.0
   66    68    73    75  -0.01700 -1.0 2.0
   66    68    73    75  -0.48600  1.0 3.0
   66    68   -73    76   0.62750  1.0 1.0
   66    68   -73    76  -0.30950 -1.0 2.0
   66    68   -73    76   0.27300  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    73   0.15000  1.0 3.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72  -0.11600  1.0 1.0
   68    66    71    72  -0.09450 -1.0 2.0
   68    66    71    72   0.21250  1.0 3.0
   68    73    75    77   2.08450  1.0 1.0
   68    73    75    77  -0.39300 -1.0 2.0
   68    73    75    77   0.23400  1.0 3.0
   68    73    75    88  -0.43950  1.0 1.0
   68    73    75    88  -0.08100 -1.0 2.0
   68    73    75    88   0.03350  1.0 3.0
   68    73   -76    64   0.06250  1.0 1.0
   68    73   -76    64  -0.01100 -1.0 2.0
   68    73   -76    64   0.28050  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.23400  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    76   0.23400  1.0 3.0
   73    75    77    78   1.88100 -1.0 2.0
   73    75    77    79  -0.88150  1.0 1.0
   73    75    77    79   2.95600 -1.0 2.0
   73    75    88    86   3.62500 -1.0 2.0
   73    75    88    89   3.04450 -1.0 2.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    88   0.00000  1.0 1.0
   74    73    76    64   0.37050  1.0 3.0
   75    73    76    64  -2.37750  1.0 1.0
   75    73    76    64  -0.08150 -1.0 2.0
   75    73    76    64   0.59000  1.0 3.0
   75    77    79    80   7.00000 -1.0 2.0
   75    77    79    82   7.00000 -1.0 2.0
   77    75    88    86   3.62500 -1.0 2.0
   77    75    88    89   2.67200 -1.0 2.0
   77    79    80    81   1.00000 -1.0 2.0
   77    79   -80    86   1.50000 -1.0 2.0
   77    79    82    83   0.00000  1.0 1.0
   77    79    82    84   0.00000  1.0 1.0
   77    79    82    85   0.00000  1.0 1.0
   78    77    79    80   7.00000 -1.0 2.0
   78    77    79    82   7.00000 -1.0 2.0
   79    80    86    87   1.52500 -1.0 2.0
   79    80    86    88   7.00000 -1.0 2.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   80    86   -88    75   3.00000 -1.0 2.0
   80    86    88    89   3.04450 -1.0 2.0
   81    80    86    87   2.45000 -1.0 2.0
   81    80    86    88   3.04450 -1.0 2.0
   87    86    88    75   2.56700 -1.0 2.0
   87    86    88    89   2.45000 -1.0 2.0
   88    75    77    78   1.44600  1.0 1.0
   88    75   -77    79  -0.18900  1.0 1.0
   88    75   -77    79   1.70900 -1.0 2.0
   82    79    80    81  -0.64400  1.0 1.0
   82    79    80    81   0.26850 -1.0 2.0
   82    79    80    86   1.50000 -1.0 2.0
   76    64    66    67   0.23400  1.0 3.0
   76    64   -66    68   0.62750  1.0 1.0
   76    64   -66    68  -0.30950 -1.0 2.0
   76    64   -66    68   0.27300  1.0 3.0
   76    64    66    71   3.69350  1.0 1.0
   76    64    66    71  -1.82950 -1.0 2.0
   76    73    75    77  -0.28000  1.0 1.0
   76    73    75    77  -1.16550 -1.0 2.0
   76    73    75    88  -2.75650  1.0 1.0
   76    73    75    88  -1.18150 -1.0 2.0
   76    73    75    88   0.81900  1.0 3.0
   71    66    68    69   0.23400  1.0 3.0
   71    66    68    70   0.23400  1.0 3.0
   71    66    68    73   0.86500  1.0 1.0
   71    66    68    73  -0.17500 -1.0 2.0
   71    66    68    73   0.20800  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    46   7.00000 -1.0 2.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.09700  1.0 1.0
   38    33    37    44   0.15600 -1.0 2.0
   38    33    37    44  -0.50800  1.0 3.0
   38    33    51    49   0.06250  1.0 1.0
   38    33    51    49  -0.01100 -1.0 2.0
   38    33    51    49   0.28050  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    44    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   77    88    75    73   1.00000 -1.0 2.0
   75    78    77    79   1.10000 -1.0 2.0
   80    82    79    77   1.10000 -1.0 2.0
   79    86    80    81  10.50000 -1.0 2.0
   87    80    86    88   1.00000 -1.0 2.0
   75    86    88    89  10.50000 -1.0 2.0
END
