* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    161    275     482
    1     0 S   NP   _N1_     1    28.84225    95.59465   -24.85998
    2     1 S   H    _HN1     2     1.02947    78.35274     0.57505
    3     1 S   H    _H1_     3     1.02827    29.00320   172.83407
    4     1 S   H    _H2_     4     1.02792   114.53143  -104.46922
    5     1 S   CT   _CA1     5     1.50126   126.24832   107.46651
    6     5 S   HC   _HA1     6     1.09573   105.16370    87.43040
    7     5 S   CO3  _C1_     7     1.53771   112.42643   -32.77863
    8     7 S   O2Z  _O11     8     1.26377   115.00416   -43.17924
    9     7 S   O2Z  _O12     9     1.26232   114.94281   135.79132
   10     5 S   CT   _CB1    10     1.53056   107.39851  -154.60956
   11    10 S   HC   HB11    11     1.09841   109.34309   -49.31723
   12    10 S   HC   HB12    12     1.09810   110.47720    67.27917
   13    10 S   CT   _CG1    13     1.53016   112.63344  -170.24412
   14    13 S   HC   HG11    14     1.09571   110.72802   -67.05526
   15    13 S   HC   HG12    15     1.09669   109.70736    52.19645
   16    13 S   C    _CD1    16     1.51813   111.98097   172.68155
   17    16 S   O    _OE1    17     1.22758   123.17958    12.10170
   18    16 S   N    _N2_    18     1.38638   111.84156  -167.97464
   19    18 S   H    _HN2    19     1.01582   119.02844     1.02736
   20    18 S   CT1  _CA2    20     1.46220   123.36970   176.76978
   21    20 S   HC   _HA2    21     1.09739   109.25672     7.23790
   22    20 S   C    _C2_    22     1.53666   108.99220  -108.30005
   23    22 S   O    _O2_    23     1.23089   122.18933  -149.83180
   24    20 S   CT   _CB2    32     1.53345   111.61960   129.18666
   25    24 S   HC   HB21    33     1.09499   109.81412    56.94067
   26    24 S   HC   HB22    34     1.09512   110.10416   175.95146
   27    22 S   N    _N3_    24     1.38299   113.90751    37.69686
   28    27 S   H    _HN3    25     1.01544   119.60615    -3.32678
   29    24 S   S    _SG2    35     1.82693   111.44983   -64.18176
   30    27 S   CT   _CA3    26     1.45276   123.28342   177.18346
   31    30 S   HC   HA31    27     1.09547   107.51907   -64.70264
   32    30 S   HC   HA32    28     1.09556   107.99037    51.75320
   33    29 S   CT   _C18    36     1.84974    99.97363  -173.21343
   34    33 S   HC   _H9_    37     1.09598   103.10363    53.93127
   35    30 S   CO3  _C3_    29     1.52976   114.04431   173.75820
   36    35 S   O2Z  _O31    30     1.26384   116.08248    -0.14127
   37    35 S   O2Z  _O32    31     1.26426   114.41344   179.91377
   38    33 S   CT   _C17    38     1.56333   115.95539   -58.25276
   39    38 S   OM   _O33    39     1.32303   112.28811   -51.42243
   40    38 S   HC   _H8_    40     1.10180   104.68480    76.63829
   41    33 S   C4T  _C8_    67     1.56308   109.80730   166.76908
   42    38 S   CT   _C16    41     1.54564   111.06615  -172.12889
   43    42 S   HC   _H23    42     1.09846   111.14505   177.90193
   44    42 S   HC   _H24    43     1.09282   111.90151   -62.09053
   45    41 S   C4T  _C5_    68     1.59666   122.48692    57.38868
   46    45 S   HC   _H3_    69     1.09897   111.42269  -110.89672
   47    48 S   C4T  _C7_    73     1.51503   110.40036   -67.68708
   48    42 S   NP   _N4_    44     1.50114   109.49370    59.95964
   49    48 S   H    _H7_    45     1.03011   102.89083    48.63409
   50    45 S   C4T  _C6_    70     1.55035    88.68098   135.46695
   51    50 S   HC   _H13    71     1.09339   114.79498   101.99021
   52    50 S   HC   _H14    72     1.09609   114.37371  -136.47293
   53    45 S   CT   _C4_    74     1.52336   127.43714    16.84379
   54    53 S   HC   _H10    75     1.09047   113.16518    61.36405
   55    53 S   HC   _H11    76     1.09280   111.41575   -61.99307
   56    53 S   HC   _H12    77     1.09649   109.72091   179.87646
   57    48 S   CT   _C15    46     1.50821   117.58357   164.01532
   58    57 S   HC   _H21    47     1.09535   107.24494   -43.74082
   59    57 S   HC   _H22    48     1.09522   106.70642  -158.24893
   60    57 S   CT   _C14    49     1.52461   114.34780    79.82617
   61    60 S   HC   _H19    50     1.09740   109.21826   -72.61811
   62    60 S   HC   _H20    51     1.09606   109.30129   171.36728
   63    60 S   CT   _C13    52     1.52982   112.85600    49.40071
   64    63 S   HC   _H17    53     1.09560   110.44707    65.78340
   65    63 S   HC   _H18    54     1.09576   109.35065  -176.14019
   66    63 S   CT   _C12    55     1.51979   107.24214   -56.04848
   67    66 S   HC   _H6_    56     1.09743   105.83580   -53.54123
   68    66 S   CT   _C11    57     1.53389   115.77160  -166.79162
   69    68 S   HC   _H5_    58     1.09511   111.06754    51.86275
   70    68 S   CT   _C10    59     1.51572   108.80287   174.21812
   71    70 S   HC   _H15    60     1.09173   113.46194   -47.44749
   72    70 S   HC   _H16    61     1.09816   110.17716  -168.52316
   73    70 S   CT   _C9_    62     1.51910    98.90500    76.15291
   74    73 S   HC   _H4_    63     1.09344   111.14722   159.72191
   75    73 S   CO4  _C19    64     1.51762    96.88312    45.97733
   76    75 S   O    _O35    65     1.21998   126.57806   147.84710
   77    68 S   OS   _O34    66     1.42624   113.29511   -71.44372
  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
  19   8   2   1   1  12   6   5  26  11   5   4  15   9  22  15
   6  12   3   2   4   2   1   1   9   5   4   8   5   4   8   4
   3   9   4   9   6   7   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    73    41    45    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    48    66    70    73    74    75    41    45    46    50    47    53  
   38    39    40    42    73    41    45    47  
   36    37  
   37  
    0  
   39    40    42    43    44    48    49    57    73    41    45    47  
   40    42    43    44    48    41  
   42    43    44    48    41  
   45    46    50    51    52    47    53    54    55    56    42    48    49    57    63    66    67    68    70    71    72    73    74    75    76    77  
   43    44    48    49    57    58    59    60    66    50    47  
   44    48    49    57    47  
   48    49    57    47  
   46    50    51    52    47    53    54    55    56    48    66    70    73    74    75  
   50    51    52    47    53    54    55    56    73  
   53    48    49    50    51    52    57    58    59    60    63    64    65    66    67    68    69    70    73    74    75    77  
   49    57    58    59    60    61    62    63    66    67    68    73    50    51    52  
   57    58    59    60    66    50  
   51    52    53    54    55    56    57    63    66    67    68    73  
   52    53    66  
   53    66  
   54    55    56    73  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    66  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66    67    68  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70    77  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71    72    73    75    77  
   68    69    70    77  
   69    70    71    72    73    74    75    76    77  
   70    71    72    73    75    77  
   71    72    73    74    75    76    77  
   72    73    74    75    77  
   73    74    75    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.166300   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   48   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
   49   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.6450   1.4500   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   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   260.000  1.519
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   367.000  1.471
   48    49   434.000  1.010
   48    57   367.000  1.471
   48    47   367.000  1.471
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    47   260.000  1.519
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    77   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   317.000  1.522
   73    41   260.000  1.519
   75    76   570.000  1.229
   75    77   214.000  1.327
   41    45   268.000  1.529
   41    47   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   45    53   260.000  1.519
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    47   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    73    58.35000  112.70000
   33    41    45    65.00000  119.52000
   33    41    47    65.00000  119.52000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    48    80.00000  111.20000
   40    38    39    45.00000  125.66300
   42    38    39    50.00000  109.50000
   42    38    40    37.50000  110.70000
   42    48    49    35.00000  109.50000
   42    48    57    75.00000  113.01200
   42    48    47    75.00000  113.01200
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   48    57    58    35.00000  109.50000
   48    57    59    35.00000  109.50000
   48    57    60    80.00000  111.20000
   48    47    66    80.00000  111.20000
   48    47    41    80.00000  111.20000
   48    47    50    80.00000  111.20000
   57    48    49    35.00000  109.50000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    58.35000  112.70000
   63    66    47    70.00000  112.98000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    58.35000  112.70000
   66    68    77    50.00000  109.50000
   66    47    41    65.00000  119.52000
   66    47    50    65.00000  119.52000
   68    66    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    58.35000  112.70000
   68    77    75    83.00000  116.90000
   70    68    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    63.00000  111.10000
   70    73    41    70.00000  112.98000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    75    76    80.00000  120.40000
   73    75    77    81.00000  111.40000
   73    41    45    65.00000  119.52000
   73    41    47    65.00000  119.52000
   75    73    74    35.00000  109.50000
   77    68    69    35.00000  109.50000
   77    68    70    50.00000  109.50000
   77    75    76    83.00000  123.40000
   41    33    34    45.00000  111.22300
   41    33    38    70.00000  112.98000
   41    73    74    45.00000  111.22300
   41    73    75    63.00000  111.10000
   41    45    46    37.50000  110.70000
   41    45    50    63.00000   92.00000
   41    45    53    65.00000  119.52000
   41    47    50    63.00000   92.00000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    47    63.00000   92.00000
   45    53    54    45.00000  111.22300
   45    53    55    45.00000  111.22300
   45    53    56    45.00000  111.22300
   50    45    46    37.50000  110.70000
   52    50    51    33.00000  107.80000
   47    48    49    35.00000  109.50000
   47    48    57    75.00000  113.01200
   47    66    67    45.00000  111.22300
   47    66    68    70.00000  112.98000
   47    41    45    63.00000   92.00000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   53    45    46    45.00000  112.72800
   53    45    50    65.00000  119.52000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    73   0.44750  1.0 1.0
   29    33    41    73  -0.17800 -1.0 2.0
   29    33    41    73   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    47   0.44750  1.0 1.0
   29    33    41    47  -0.17800 -1.0 2.0
   29    33    41    47   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    48   1.36600  1.0 1.0
   33    38    42    48  -0.11450 -1.0 2.0
   33    38    42    48   0.24250  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    50  -0.70950  1.0 1.0
   33    41    45    50   0.38400 -1.0 2.0
   33    41    45    53   0.56750  1.0 1.0
   33    41    45    53  -0.07550 -1.0 2.0
   33    41    45    53   0.20000  1.0 3.0
   33    41   -47    48   1.36600  1.0 1.0
   33    41   -47    48  -0.11450 -1.0 2.0
   33    41   -47    48   0.24250  1.0 3.0
   33    41    47    66   0.56750  1.0 1.0
   33    41    47    66  -0.07550 -1.0 2.0
   33    41    47    66   0.20000  1.0 3.0
   33    41   -47    50  -0.70950  1.0 1.0
   33    41   -47    50   0.38400 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    73   0.15000  1.0 3.0
   34    33    41    45   0.00000  1.0 1.0
   34    33    41    47   0.00000  1.0 1.0
   38    33    41    73   0.56750  1.0 1.0
   38    33    41    73  -0.07550 -1.0 2.0
   38    33    41    73   0.20000  1.0 3.0
   38    33    41    45   0.04050  1.0 1.0
   38    33    41    45   0.63700 -1.0 2.0
   38    33    41    45   0.17650  1.0 3.0
   38    33    41    47   0.04050  1.0 1.0
   38    33    41    47   0.63700 -1.0 2.0
   38    33    41    47   0.17650  1.0 3.0
   38    42    48    49   0.17350  1.0 3.0
   38    42    48    57   0.47100  1.0 1.0
   38    42   -48    47   0.47100  1.0 1.0
   39    38    42    43   0.23400  1.0 3.0
   39    38    42    44   0.23400  1.0 3.0
   39    38    42    48   1.69300  1.0 1.0
   39    38    42    48  -0.48450 -1.0 2.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    48   0.19200  1.0 3.0
   42    48    57    58   0.15000  1.0 3.0
   42    48    57    59   0.15000  1.0 3.0
   42    48    57    60   0.47100  1.0 1.0
   42    48    47    66   0.47100  1.0 1.0
   42    48    47    41   0.47100  1.0 1.0
   42    48    47    50   0.47100  1.0 1.0
   43    42    48    49   0.13050  1.0 3.0
   43    42    48    57   0.15000  1.0 3.0
   43    42    48    47   0.15000  1.0 3.0
   44    42    48    49   0.13050  1.0 3.0
   44    42    48    57   0.15000  1.0 3.0
   44    42    48    47   0.15000  1.0 3.0
   48    57    60    61   0.19200  1.0 3.0
   48    57    60    62   0.19200  1.0 3.0
   48    57    60    63   1.36600  1.0 1.0
   48    57    60    63  -0.11450 -1.0 2.0
   48    57    60    63   0.24250  1.0 3.0
   49    48    57    58   0.13050  1.0 3.0
   49    48    57    59   0.13050  1.0 3.0
   49    48    57    60   0.17350  1.0 3.0
   49    48    47    66   0.17350  1.0 3.0
   49    48    47    41   0.17350  1.0 3.0
   49    48    47    50   0.17350  1.0 3.0
   57    48    47    66   0.47100  1.0 1.0
   57    48    47    41   0.47100  1.0 1.0
   57    48    47    50   0.47100  1.0 1.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60   -63    66   0.56750  1.0 1.0
   57    60   -63    66  -0.07550 -1.0 2.0
   57    60   -63    66   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.56750  1.0 1.0
   60    63    66    68  -0.07550 -1.0 2.0
   60    63    66    68   0.20000  1.0 3.0
   60    63    66    47   0.31550 -1.0 2.0
   60    63    66    47   0.11250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    68    69   0.15000  1.0 3.0
   63    66    68    70   0.56750  1.0 1.0
   63    66    68    70  -0.07550 -1.0 2.0
   63    66    68    70   0.20000  1.0 3.0
   63    66    68    77   0.62750  1.0 1.0
   63    66    68    77  -0.30950 -1.0 2.0
   63    66    68    77   0.27300  1.0 3.0
   63    66   -47    48   1.36600  1.0 1.0
   63    66   -47    48  -0.11450 -1.0 2.0
   63    66   -47    48   0.24250  1.0 3.0
   63    66    47    41   0.04050  1.0 1.0
   63    66    47    41   0.63700 -1.0 2.0
   63    66    47    41   0.17650  1.0 3.0
   63    66    47    50   0.04050  1.0 1.0
   63    66    47    50   0.63700 -1.0 2.0
   63    66    47    50   0.17650  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    47   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    47   0.15000  1.0 3.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    72   0.15000  1.0 3.0
   66    68    70    73   0.56750  1.0 1.0
   66    68    70    73  -0.07550 -1.0 2.0
   66    68    70    73   0.20000  1.0 3.0
   66    68    77    75  -0.25900  1.0 1.0
   66    68    77    75  -0.47000 -1.0 2.0
   66    68    77    75   0.11750  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    77   0.23400  1.0 3.0
   67    66    47    48   0.19200  1.0 3.0
   67    66    47    41   0.00000  1.0 1.0
   67    66    47    50   0.00000  1.0 1.0
   68    66    47    48   1.36600  1.0 1.0
   68    66    47    48  -0.11450 -1.0 2.0
   68    66    47    48   0.24250  1.0 3.0
   68    66    47    41   0.04050  1.0 1.0
   68    66    47    41   0.63700 -1.0 2.0
   68    66    47    41   0.17650  1.0 3.0
   68    66    47    50   0.04050  1.0 1.0
   68    66    47    50   0.63700 -1.0 2.0
   68    66    47    50   0.17650  1.0 3.0
   68    70    73    74   0.15000  1.0 3.0
   68    70   -73    75  -0.95700  1.0 1.0
   68    70   -73    75  -0.18200 -1.0 2.0
   68    70   -73    75   0.29450  1.0 3.0
   68    70   -73    41   0.31550 -1.0 2.0
   68    70   -73    41   0.11250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   69    68    77    75   0.08050  1.0 3.0
   70    68   -77    75  -0.25900  1.0 1.0
   70    68   -77    75  -0.47000 -1.0 2.0
   70    68   -77    75   0.11750  1.0 3.0
   70    73    75    76   0.30150 -1.0 2.0
   70    73   -75    77   0.36750  1.0 3.0
   70    73    41    33   0.56750  1.0 1.0
   70    73    41    33  -0.07550 -1.0 2.0
   70    73    41    33   0.20000  1.0 3.0
   70    73    41    45   0.04050  1.0 1.0
   70    73    41    45   0.63700 -1.0 2.0
   70    73    41    45   0.17650  1.0 3.0
   70    73    41    47   0.04050  1.0 1.0
   70    73    41    47   0.63700 -1.0 2.0
   70    73    41    47   0.17650  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75  -0.11250  1.0 3.0
   71    70    73    41   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75  -0.11250  1.0 3.0
   72    70    73    41   0.15000  1.0 3.0
   73    75   -77    68   1.63150  1.0 1.0
   73    75   -77    68   2.92000 -1.0 2.0
   73    41    45    46   0.15000  1.0 3.0
   73    41    45    50  -0.70950  1.0 1.0
   73    41    45    50   0.38400 -1.0 2.0
   73    41    45    53   0.56750  1.0 1.0
   73    41    45    53  -0.07550 -1.0 2.0
   73    41    45    53   0.20000  1.0 3.0
   73    41    47    48   1.36600  1.0 1.0
   73    41    47    48  -0.11450 -1.0 2.0
   73    41    47    48   0.24250  1.0 3.0
   73    41   -47    66   0.56750  1.0 1.0
   73    41   -47    66  -0.07550 -1.0 2.0
   73    41   -47    66   0.20000  1.0 3.0
   73    41   -47    50  -0.70950  1.0 1.0
   73    41   -47    50   0.38400 -1.0 2.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    41    33   0.15000  1.0 3.0
   74    73    41    45   0.00000  1.0 1.0
   74    73    41    47   0.00000  1.0 1.0
   75    73    41    33  -0.95700  1.0 1.0
   75    73    41    33  -0.18200 -1.0 2.0
   75    73    41    33   0.29450  1.0 3.0
   75    73    41    45  -0.95700  1.0 1.0
   75    73    41    45  -0.18200 -1.0 2.0
   75    73    41    45   0.29450  1.0 3.0
   75    73    41    47  -0.95700  1.0 1.0
   75    73    41    47  -0.18200 -1.0 2.0
   75    73    41    47   0.29450  1.0 3.0
   76    75    77    68   3.00000 -1.0 2.0
   77    68    70    71   0.23400  1.0 3.0
   77    68    70    72   0.23400  1.0 3.0
   77    68   -70    73   0.62750  1.0 1.0
   77    68   -70    73  -0.30950 -1.0 2.0
   77    68   -70    73   0.27300  1.0 3.0
   41    33    38    39   0.62750  1.0 1.0
   41    33    38    39  -0.30950 -1.0 2.0
   41    33    38    39   0.27300  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    42   0.31550 -1.0 2.0
   41    33   -38    42   0.11250  1.0 3.0
   41    73    75    76   0.30150 -1.0 2.0
   41    73    75    77   0.36750  1.0 3.0
   41    45    50    51   0.15000  1.0 3.0
   41    45    50    52   0.15000  1.0 3.0
   41    45   -50    47   0.00000  1.0 1.0
   41    45    53    54   0.00000  1.0 1.0
   41    45    53    55   0.00000  1.0 1.0
   41    45    53    56   0.00000  1.0 1.0
   45    41    47    48   1.36600  1.0 1.0
   45    41    47    48  -0.11450 -1.0 2.0
   45    41    47    48   0.24250  1.0 3.0
   45    41    47    66  -0.70950  1.0 1.0
   45    41    47    66   0.38400 -1.0 2.0
   45    41   -47    50   0.00000  1.0 1.0
   45    50   -47    48   1.36600  1.0 1.0
   45    50   -47    48  -0.11450 -1.0 2.0
   45    50   -47    48   0.24250  1.0 3.0
   45    50   -47    66  -0.70950  1.0 1.0
   45    50   -47    66   0.38400 -1.0 2.0
   45    50   -47    41   0.00000  1.0 1.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    47   0.15000  1.0 3.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    55   0.15000  1.0 3.0
   46    45    53    56   0.15000  1.0 3.0
   50    45    53    54   0.00000  1.0 1.0
   50    45    53    55   0.00000  1.0 1.0
   50    45    53    56   0.00000  1.0 1.0
   51    50    47    48   0.19200  1.0 3.0
   51    50    47    66   0.15000  1.0 3.0
   51    50   -47    41   0.15000  1.0 3.0
   52    50    47    48   0.19200  1.0 3.0
   52    50    47    66   0.15000  1.0 3.0
   52    50   -47    41   0.15000  1.0 3.0
   47    48    57    58   0.15000  1.0 3.0
   47    48    57    59   0.15000  1.0 3.0
   47    48   -57    60   0.47100  1.0 1.0
   47    66    68    69   0.15000  1.0 3.0
   47    66   -68    70   0.31550 -1.0 2.0
   47    66   -68    70   0.11250  1.0 3.0
   47    66    68    77   0.62750  1.0 1.0
   47    66    68    77  -0.30950 -1.0 2.0
   47    66    68    77   0.27300  1.0 3.0
   47    41   -45    46   0.15000  1.0 3.0
   47    41   -45    50   0.00000  1.0 1.0
   47    41    45    53  -0.70950  1.0 1.0
   47    41    45    53   0.38400 -1.0 2.0
   53    45    50    51   0.15000  1.0 3.0
   53    45    50    52   0.15000  1.0 3.0
   53    45   -50    47  -0.70950  1.0 1.0
   53    45   -50    47   0.38400 -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
   36    30    35    37  10.50000 -1.0 2.0
   73    77    75    76  10.50000 -1.0 2.0
END
