* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    155    244     454
    1     0 S   NP   _N1_     1    28.75348    95.04921   -24.39046
    2     1 S   H    _HN1     2     1.02950    78.26112    14.51377
    3     1 S   H    _H1_     3     1.02829    30.61106   174.56823
    4     1 S   H    _H2_     4     1.02786   108.35738   -91.15002
    5     1 S   CT   _CA1     5     1.50109   132.38848   121.52659
    6     5 S   HC   _HA1     6     1.09572   105.20394    85.00334
    7     5 S   CO3  _C1_     7     1.53797   112.47285   -35.25161
    8     7 S   O2Z  _O11     8     1.26372   115.00680   -42.38012
    9     7 S   O2Z  _O12     9     1.26241   114.95283   136.79267
   10     5 S   CT   _CB1    10     1.53085   107.42891  -156.99434
   11    10 S   HC   HB11    11     1.09832   109.39897   -49.65843
   12    10 S   HC   HB12    12     1.09813   110.43601    66.96235
   13    10 S   CT   _CG1    13     1.52980   112.58778  -170.63485
   14    13 S   HC   HG11    14     1.09589   110.61864   -65.13263
   15    13 S   HC   HG12    15     1.09670   109.80174    54.09101
   16    13 S   C    _CD1    16     1.51795   112.27666   174.56917
   17    16 S   O    _OE1    17     1.22722   123.30053     5.90266
   18    16 S   N    _N2_    18     1.38610   111.59105  -174.16239
   19    18 S   H    _HN2    19     1.01571   118.98452     1.86372
   20    18 S   CT1  _CA2    20     1.46295   123.56215   178.48238
   21    20 S   HC   _HA2    21     1.09733   109.36613     3.99120
   22    20 S   C    _C2_    22     1.53583   108.70957  -111.56840
   23    22 S   O    _O2_    23     1.23056   122.35350  -148.87459
   24    20 S   CT   _CB2    32     1.53314   111.22610   126.00413
   25    24 S   HC   HB21    33     1.09512   109.56809    56.04988
   26    24 S   HC   HB22    34     1.09458   110.31258   174.89082
   27    22 S   N    _N3_    24     1.38356   113.74639    38.65119
   28    27 S   H    _HN3    25     1.01567   119.56742    -3.32449
   29    24 S   S    _SG2    35     1.82880   111.08930   -65.43980
   30    27 S   CT   _CA3    26     1.45276   123.20581   177.12846
   31    30 S   HC   HA31    27     1.09550   107.50676   -64.69372
   32    30 S   HC   HA32    28     1.09558   107.99124    51.74533
   33    29 S   CT   _C16    36     1.88227   100.21594   161.10399
   34    30 S   CO3  _C3_    29     1.52957   114.08780   173.74756
   35    34 S   O2Z  _O31    30     1.26376   116.07840    -0.63087
   36    34 S   O2Z  _O32    31     1.26431   114.40896   179.42802
   37    33 S   CT   _C15    37     1.53866   107.14600  -178.64752
   38    37 S   HC   _H8_    38     1.09713   111.28416    59.87261
   39    37 S   HC   _H9_    39     1.09643   112.67152   -59.15822
   40    33 S   CT   _C17    75     1.58405   112.03917    59.53035
   41    40 S   OM   _O38    76     1.33050   111.20937    53.36549
   42    40 S   HC   _H3_    77     1.10011   105.00256   -72.54750
   43    33 S   OS   _O39    80     1.44969   109.65078   -57.54633
   44    37 S   CO4  _C14    40     1.52214   110.99456   179.17623
   45    44 S   O    _O35    41     1.23600   118.56418  -126.07681
   46    43 S   CT   _C20    81     1.41910   118.26121   -67.85562
   47    46 S   HC   _H11    82     1.09395   107.66890   170.32659
   48    46 S   HC   _H12    83     1.09247   112.32003    51.70145
   49    46 S   HC   _H13    84     1.09232   111.04506   -72.41109
   50    44 S   CT   _C13    42     1.55427   118.26549    55.33331
   51    50 S   OM   _O40    43     1.33241   104.33703    70.10757
   52    50 S   CMA  _C12    44     1.59233   108.82018  -170.83273
   53    52 S   OM   _O34    45     1.27205   114.49183   -86.34173
   54    52 S   CM   _C10    46     1.35764   116.97839    89.45991
   55    54 S   CM   _C9_    47     1.44121   123.44907     1.69119
   56    54 S   CO4  _C11    57     1.51021   120.28696  -176.60304
   57    56 S   O    _O33    58     1.22439   123.09715   -37.01677
   58    55 S   CM   _C8_    48     1.34193   121.60699  -158.36944
   59    58 S   HC   _H7_    49     1.08585   121.86826  -179.64834
   60    55 S   CO4  _C19    72     1.48518   120.38515    24.21948
   61    60 S   O    _O36    73     1.23438   119.46577   160.14941
   62    58 S   CA   _C7_    50     1.46716   120.73727     1.38225
   63    50 S   CT   _C18    74     1.58775   108.85837   -45.59627
   64    62 S   CA   _C21    51     1.39925   118.95963   170.13191
   65    64 S   HA   _H14    52     1.08762   120.16450    -0.49575
   66    63 S   OH   _O37    78     1.45126   109.83300   167.06064
   67    66 S   HO   _H10    79     0.97472   104.17014   -56.59370
   68    64 S   CA   _C22    53     1.39113   119.92382   179.01484
   69    68 S   CA   _C23    54     1.39832   120.32245     0.65611
   70    68 S   OH   _O43    70     1.36846   119.91755  -178.87187
   71    70 S   HO   _H18    71     0.97237   109.00274    -0.96408
   72    69 S   CA   _C5_    55     1.41172   121.23214     0.74467
   73    69 S   CO4  _C24    63     1.47163   117.68702  -179.81977
   74    73 S   O    _O41    64     1.21833   123.99768   -71.81682
   75    62 S   CA   _C6_    56     1.41060   121.08049   -10.94766
   76    72 S   CT   _C4_    59     1.50750   120.53167   177.35055
   77    76 S   HC   _H4_    60     1.09496   110.82100  -137.60872
   78    76 S   HC   _H5_    61     1.09416   112.44591   -20.20733
   79    76 S   HC   _H6_    62     1.09424   110.19748   100.53196
   80    73 S   OS   _O42    65     1.35626   107.50907   107.20178
   81    80 S   CT   _C25    66     1.42993   114.83918  -179.48300
   82    81 S   HC   _H15    67     1.09327   108.12535  -179.77619
   83    81 S   HC   _H16    68     1.09428   110.29623    61.50061
   84    81 S   HC   _H17    69     1.09430   110.29148   -61.07285
  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
  17   2   1   1  13   6   5  14   6   5   6   9   4   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    63    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    60    63    40    41    42    66    43    46    47    48    49  
   35    36  
   36  
    0  
   38    39    44    45    50    51    52    63    40    41    42    43    46  
   39    44    45    50    40    43  
   44    45    50    40    43  
   41    42    66    67    43    46    44    50    51    52    55    60    61    63  
   42    66    43    50    60    63  
   66    43    50    60    63  
   46    47    48    49    44    63  
   45    50    51    52    53    54    60    63    66  
   50    51    52    63  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    60    61    63    66    67  
   52    53    54    60    63    66  
   53    54    55    58    75    56    57    60    63    66  
   54    55    56    63  
   55    58    59    62    72    75    56    57    60    61    63  
   58    59    62    64    75    56    57    60    61    63    66  
   57    76    60    58    62    64    69    72    75  
   62    72    75  
   59    62    64    65    68    72    75    60    61    63  
   62    64    75    60  
   61    63    66    67    62  
   63    66  
   64    65    68    69    72    75    76    70  
   66    67  
   65    68    69    72    75    73    70    71  
   68    69    75    70  
   67  
    0  
   69    72    75    76    73    74    80    70    71  
   72    75    76    77    78    79    73    74    80    81    70    71  
   71    72    73  
    0  
   75    76    77    78    79    73    74    80  
   74    80    81    82    83    84    75    76  
   80    81  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   52   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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
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    43   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   570.000  1.307
   50    52   270.000  1.512
   50    63   268.000  1.529
   52    53   745.000  1.250
   52    54   465.000  1.376
   54    55   380.000  1.444
   54    56   320.000  1.462
   55    58   549.000  1.340
   55    60   320.000  1.462
   58    59   340.000  1.080
   58    62   320.000  1.460
   62    64   469.000  1.400
   62    75   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   469.000  1.400
   68    70   450.000  1.364
   69    72   469.000  1.400
   69    73   310.000  1.470
   72    75   469.000  1.400
   72    76   317.000  1.510
   75    56   310.000  1.470
   56    57   570.000  1.229
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   73    74   570.000  1.229
   73    80   214.000  1.327
   80    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   70    71   553.000  0.945
   60    61   570.000  1.229
   60    63   317.000  1.522
   63    40   268.000  1.529
   63    66   320.000  1.410
   40    41   570.000  1.307
   40    42   340.000  1.090
   66    67   553.000  0.945
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    43    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    40    63    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    46    60.00000  109.50000
   37    44    45    80.00000  120.40000
   37    44    50    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    50    51    90.00000  108.74100
   44    50    52    70.00000  109.06800
   44    50    63    63.00000  111.10000
   50    44    45    80.00000  120.40000
   50    52    53    85.00000  112.85300
   50    52    54    65.00000  122.18000
   50    63    60    63.00000  111.10000
   50    63    40    58.35000  112.70000
   50    63    66    50.00000  109.50000
   52    50    51    85.00000  110.90400
   52    54    55    70.00000  117.34000
   52    54    56    60.00000  125.92000
   54    52    53    65.00000  137.10300
   54    55    58    70.00000  123.01800
   54    55    60    65.00000  118.96000
   54    56    75    65.00000  117.02400
   54    56    57    80.00000  123.72100
   55    58    59    35.00000  120.00000
   55    58    62    60.00000  123.20500
   55    60    61    80.00000  123.72100
   55    60    63    65.00000  118.62400
   58    62    64    60.00000  120.93500
   58    62    75    60.00000  120.93500
   62    58    59    40.00000  117.26300
   62    64    65    35.00000  120.00000
   62    64    68    63.00000  120.00000
   62    75    72    63.00000  120.00000
   62    75    56    60.00000  119.52600
   64    68    69    63.00000  120.00000
   64    68    70    70.00000  120.00000
   68    64    65    35.00000  120.00000
   68    69    72    63.00000  120.00000
   68    69    73    60.00000  119.52600
   68    70    71    35.00000  113.00000
   69    72    75    63.00000  120.00000
   69    72    76    70.00000  120.00000
   69    73    74    75.00000  123.78400
   69    73    80    81.00000  111.40000
   72    75    56    60.00000  119.52600
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   75    62    64    63.00000  120.00000
   75    56    57    75.00000  123.78400
   56    54    55    65.00000  118.96000
   76    72    75    70.00000  120.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   73    69    72    60.00000  119.52600
   73    80    81    83.00000  116.90000
   80    73    74    83.00000  123.40000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   70    68    69    70.00000  120.00000
   60    55    58    65.00000  118.96000
   60    63    40    63.00000  111.10000
   60    63    66    90.00000  109.61100
   63    50    51    50.00000  109.50000
   63    50    52    70.00000  112.02700
   63    60    61    80.00000  120.40000
   63    40    41    50.00000  109.50000
   63    40    42    37.50000  110.70000
   63    66    67    55.00000  108.50000
   40    33    37    58.35000  112.70000
   42    40    41    45.00000  125.66300
   66    63    40    50.00000  109.50000
   43    33    37    50.00000  109.50000
   43    33    40    50.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   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    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    40    63   0.44750  1.0 1.0
   29    33    40    63  -0.17800 -1.0 2.0
   29    33    40    63   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    46   0.14700  1.0 1.0
   29    33    43    46  -1.16150 -1.0 2.0
   29    33    43    46   0.48700  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    50   0.60050  1.0 1.0
   33    37    44    50   0.05600 -1.0 2.0
   33    37    44    50   0.26150  1.0 3.0
   33    43    46    47   0.37050  1.0 3.0
   33    43    46    48   0.37050  1.0 3.0
   33    43    46    49   0.37050  1.0 3.0
   37    33    40    63   0.56750  1.0 1.0
   37    33    40    63  -0.07550 -1.0 2.0
   37    33    40    63   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    46   0.06250  1.0 1.0
   37    33    43    46  -0.01100 -1.0 2.0
   37    33    43    46   0.28050  1.0 3.0
   37    44    50    51   0.55300  1.0 1.0
   37    44    50    51   1.25850 -1.0 2.0
   37    44    50    51  -0.23600  1.0 3.0
   37    44    50    52   0.65300  1.0 1.0
   37    44    50    52  -0.03850 -1.0 2.0
   37    44    50    52   0.33900  1.0 3.0
   37    44   -50    63   0.60050  1.0 1.0
   37    44   -50    63   0.05600 -1.0 2.0
   37    44   -50    63   0.26150  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    50   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    50   0.00000  1.0 1.0
   44    50    52    53   0.09700  1.0 1.0
   44    50    52    53   0.15600 -1.0 2.0
   44    50    52    53  -0.50800  1.0 3.0
   44    50    52    54  -0.51250  1.0 1.0
   44    50    52    54  -0.88800 -1.0 2.0
   44    50    52    54   0.08850  1.0 3.0
   44    50    63    60   0.11950  1.0 1.0
   44    50    63    60   0.20300 -1.0 2.0
   44    50    63    60  -0.70800  1.0 3.0
   44    50    63    40  -0.95700  1.0 1.0
   44    50    63    40  -0.18200 -1.0 2.0
   44    50    63    40   0.29450  1.0 3.0
   44    50    63    66  -0.09450  1.0 1.0
   44    50    63    66  -1.12950 -1.0 2.0
   44    50    63    66   0.54000  1.0 3.0
   45    44    50    51   0.30150 -1.0 2.0
   45    44    50    52   0.30150 -1.0 2.0
   45    44    50    63   0.30150 -1.0 2.0
   50    52    54    55   7.00000 -1.0 2.0
   50    52    54    56   7.00000 -1.0 2.0
   50    63   -40    33   0.56750  1.0 1.0
   50    63   -40    33  -0.07550 -1.0 2.0
   50    63   -40    33   0.20000  1.0 3.0
   50    63    40    41   0.62750  1.0 1.0
   50    63    40    41  -0.30950 -1.0 2.0
   50    63    40    41   0.27300  1.0 3.0
   50    63    40    42   0.15000  1.0 3.0
   50    63    66    67  -0.11600  1.0 1.0
   50    63    66    67  -0.09450 -1.0 2.0
   50    63    66    67   0.21250  1.0 3.0
   51    50    52    53   0.09700  1.0 1.0
   51    50    52    53   0.15600 -1.0 2.0
   51    50    52    53  -0.50800  1.0 3.0
   51    50    52    54   0.39000  1.0 1.0
   51    50    52    54  -0.05800 -1.0 2.0
   51    50    52    54  -0.55150  1.0 3.0
   51    50    63    60  -0.09450  1.0 1.0
   51    50    63    60  -1.12950 -1.0 2.0
   51    50    63    60   0.54000  1.0 3.0
   51    50    63    40   0.62750  1.0 1.0
   51    50    63    40  -0.30950 -1.0 2.0
   51    50    63    40   0.27300  1.0 3.0
   51    50    63    66   3.69350  1.0 1.0
   51    50    63    66  -1.82950 -1.0 2.0
   52    50    63    60  -0.98800  1.0 1.0
   52    50    63    60   0.48800 -1.0 2.0
   52    50    63    60   0.76800  1.0 3.0
   52    50    63    40   0.34400  1.0 1.0
   52    50    63    40   0.09450 -1.0 2.0
   52    50    63    40   0.11100  1.0 3.0
   52    50    63    66   1.05650  1.0 1.0
   52    50    63    66   0.15600 -1.0 2.0
   52    50    63    66   0.53150  1.0 3.0
   52    54    55    58   0.28850  1.0 1.0
   52    54    55    58   2.61350 -1.0 2.0
   52    54    55    58   0.78400  1.0 3.0
   52    54   -55    60  -0.18600  1.0 3.0
   52    54    56    75  -1.65800  1.0 1.0
   52    54    56    75   0.77650 -1.0 2.0
   52    54    56    57   1.00000 -1.0 2.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    56   7.00000 -1.0 2.0
   54    55    58    59   7.00000 -1.0 2.0
   54    55    58    62   7.00000 -1.0 2.0
   54    55    60    61   1.00000 -1.0 2.0
   54    55    60    63  -0.33500  1.0 1.0
   54    55    60    63   1.06600 -1.0 2.0
   54    55    60    63  -0.14000  1.0 3.0
   55    54    56    75  -1.65800  1.0 1.0
   55    54    56    75   0.77650 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    58    62    64   0.15800  1.0 1.0
   55    58    62    64   1.85350 -1.0 2.0
   55    58    62    64  -0.48700  1.0 3.0
   55    58   -62    75   0.15800  1.0 1.0
   55    58   -62    75   1.85350 -1.0 2.0
   55    58   -62    75  -0.48700  1.0 3.0
   55    60   -63    50   0.65300  1.0 1.0
   55    60   -63    50  -0.03850 -1.0 2.0
   55    60   -63    50   0.33900  1.0 3.0
   55    60    63    40   0.65300  1.0 1.0
   55    60    63    40  -0.03850 -1.0 2.0
   55    60    63    40   0.33900  1.0 3.0
   55    60    63    66   0.65300  1.0 1.0
   55    60    63    66  -0.03850 -1.0 2.0
   55    60    63    66   0.33900  1.0 3.0
   58    55    60    61   1.00000 -1.0 2.0
   58    55    60    63  -0.33500  1.0 1.0
   58    55    60    63   1.06600 -1.0 2.0
   58    55    60    63  -0.14000  1.0 3.0
   58    62    64    65   3.62500 -1.0 2.0
   58    62    64    68   3.62500 -1.0 2.0
   58    62    75    72   3.62500 -1.0 2.0
   58    62    75    56   3.62500 -1.0 2.0
   59    58    62    64   0.56550  1.0 3.0
   59    58    62    75   0.56550  1.0 3.0
   62    64    68    69   3.62500 -1.0 2.0
   62    64    68    70   3.62500 -1.0 2.0
   62    75   -56    54  -0.11500  1.0 1.0
   62    75   -56    54   1.10450 -1.0 2.0
   62    75   -56    54  -0.48050  1.0 3.0
   62    75    56    57   1.05000 -1.0 2.0
   64    62    75    72   3.62500 -1.0 2.0
   64    62    75    56   3.62500 -1.0 2.0
   64    68   -69    72   3.62500 -1.0 2.0
   64    68    69    73   3.62500 -1.0 2.0
   64    68    70    71   0.84100 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    70   3.62500 -1.0 2.0
   68    69    72    75   3.62500 -1.0 2.0
   68    69    72    76   3.62500 -1.0 2.0
   68    69    73    74   1.05000 -1.0 2.0
   68    69    73    80   0.98750 -1.0 2.0
   69    68    70    71   0.84100 -1.0 2.0
   69    72   -75    62   3.62500 -1.0 2.0
   69    72    75    56   3.62500 -1.0 2.0
   69    72    76    77   0.00000  1.0 1.0
   69    72    76    78   0.00000  1.0 1.0
   69    72    76    79   0.00000  1.0 1.0
   69    73    80    81   0.59950  1.0 1.0
   69    73    80    81   3.24850 -1.0 2.0
   72    69    73    74   1.05000 -1.0 2.0
   72    69    73    80   0.98750 -1.0 2.0
   72    75    56    54  -0.11500  1.0 1.0
   72    75    56    54   1.10450 -1.0 2.0
   72    75    56    54  -0.48050  1.0 3.0
   72    75    56    57   1.05000 -1.0 2.0
   75    62    64    65   3.62500 -1.0 2.0
   75    62   -64    68   3.62500 -1.0 2.0
   75    72    76    77   0.00000  1.0 1.0
   75    72    76    78   0.00000  1.0 1.0
   75    72    76    79   0.00000  1.0 1.0
   56    54   -55    58  -0.18600  1.0 3.0
   56    54    55    60   1.08500 -1.0 2.0
   76    72    75    62   3.62500 -1.0 2.0
   76    72    75    56   3.62500 -1.0 2.0
   73    69    72    75   3.62500 -1.0 2.0
   73    69    72    76   3.62500 -1.0 2.0
   73    80    81    82   0.08050  1.0 3.0
   73    80    81    83   0.08050  1.0 3.0
   73    80    81    84   0.08050  1.0 3.0
   74    73    80    81   3.00000 -1.0 2.0
   70    68    69    72   3.62500 -1.0 2.0
   70    68    69    73   3.62500 -1.0 2.0
   60    55    58    59   7.00000 -1.0 2.0
   60    55    58    62   7.00000 -1.0 2.0
   60    63    40    33  -0.95700  1.0 1.0
   60    63    40    33  -0.18200 -1.0 2.0
   60    63    40    33   0.29450  1.0 3.0
   60    63    40    41  -0.09450  1.0 1.0
   60    63    40    41  -1.12950 -1.0 2.0
   60    63    40    41   0.54000  1.0 3.0
   60    63    40    42  -0.11250  1.0 3.0
   60    63    66    67   0.91850  1.0 1.0
   60    63    66    67   0.57950  1.0 3.0
   61    60    63    50   0.30150 -1.0 2.0
   61    60    63    40   0.30150 -1.0 2.0
   61    60    63    66   0.30150 -1.0 2.0
   63    50    52    53   0.09700  1.0 1.0
   63    50    52    53   0.15600 -1.0 2.0
   63    50    52    53  -0.50800  1.0 3.0
   63    50   -52    54   0.09850  1.0 1.0
   63    50   -52    54   0.15250 -1.0 2.0
   63    50   -52    54  -0.50650  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    44  -0.95700  1.0 1.0
   40    33   -37    44  -0.18200 -1.0 2.0
   40    33   -37    44   0.29450  1.0 3.0
   40    33    43    46   0.06250  1.0 1.0
   40    33    43    46  -0.01100 -1.0 2.0
   40    33    43    46   0.28050  1.0 3.0
   40    63    66    67  -0.11600  1.0 1.0
   40    63    66    67  -0.09450 -1.0 2.0
   40    63    66    67   0.21250  1.0 3.0
   66    63    40    33   0.86500  1.0 1.0
   66    63    40    33  -0.17500 -1.0 2.0
   66    63    40    33   0.20800  1.0 3.0
   66    63    40    41   3.69350  1.0 1.0
   66    63    40    41  -1.82950 -1.0 2.0
   66    63    40    42   0.23400  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    44  -0.09450  1.0 1.0
   43    33    37    44  -1.12950 -1.0 2.0
   43    33    37    44   0.54000  1.0 3.0
   43    33    40    63   0.62750  1.0 1.0
   43    33    40    63  -0.30950 -1.0 2.0
   43    33    40    63   0.27300  1.0 3.0
   43    33    40    41   1.11900  1.0 1.0
   43    33    40    41  -1.16350 -1.0 2.0
   43    33    40    41  -0.34150  1.0 3.0
   43    33    40    42   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    50    44    45  10.50000 -1.0 2.0
   50    53    52    54   1.10000 -1.0 2.0
   55    56    54    52   1.10000 -1.0 2.0
   54    60    55    58   1.10000 -1.0 2.0
   62    59    58    55   1.10000 -1.0 2.0
   64    75    62    58   4.00000 -1.0 2.0
   68    65    64    62   1.10000 -1.0 2.0
   69    70    68    64   4.00000 -1.0 2.0
   72    73    69    68   4.00000 -1.0 2.0
   75    76    72    69   4.00000 -1.0 2.0
   72    56    75    62   4.00000 -1.0 2.0
   54    75    56    57  10.50000 -1.0 2.0
   69    80    73    74  10.50000 -1.0 2.0
   55    63    60    61  10.50000 -1.0 2.0
END
