* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    166    263     496
    1     0 S   NP   _N1_     1    29.00805    98.49568   -20.86604
    2     1 S   H    _HN1     2     1.02783    88.62257   -85.81439
    3     1 S   H    _H1_     3     1.02949    64.18686    25.43324
    4     1 S   H    _H2_     4     1.02827    55.97807   161.39582
    5     1 S   CT   _CA1     5     1.50134   158.72083   105.30497
    6     5 S   HC   _HA1     6     1.09567   105.16492   106.56183
    7     5 S   CO3  _C1_     7     1.53772   112.54394   -13.63442
    8     7 S   O2Z  _O11     8     1.26378   114.97665   -38.71970
    9     7 S   O2Z  _O12     9     1.26237   114.99365   140.45506
   10     5 S   CT   _CB1    10     1.53085   107.41816  -135.35610
   11    10 S   HC   HB11    11     1.09830   109.36734   -48.37325
   12    10 S   HC   HB12    12     1.09816   110.43729    68.26963
   13    10 S   CT   _CG1    13     1.52979   112.64879  -169.33207
   14    13 S   HC   HG11    14     1.09545   110.64148   -66.32802
   15    13 S   HC   HG12    15     1.09671   109.79802    52.88459
   16    13 S   C    _CD1    16     1.51808   112.25792   173.25861
   17    16 S   O    _OE1    17     1.22720   123.29019     6.20337
   18    16 S   N    _N2_    18     1.38603   111.60181  -173.78965
   19    18 S   H    _HN2    19     1.01578   118.92897     1.33090
   20    18 S   CT1  _CA2    20     1.46309   123.55008   178.04736
   21    20 S   HC   _HA2    21     1.09733   109.44815     0.88382
   22    20 S   C    _C2_    22     1.53506   108.58768  -114.64098
   23    22 S   O    _O2_    23     1.23047   122.34834  -148.50484
   24    20 S   CT   _CB2    32     1.53299   111.12183   123.02899
   25    24 S   HC   HB21    33     1.09301   109.35235    55.92182
   26    24 S   HC   HB22    34     1.09469   110.53494   174.20553
   27    22 S   N    _N3_    24     1.38351   113.63789    39.00157
   28    27 S   H    _HN3    25     1.01593   119.53228    -3.42314
   29    24 S   S    _SG2    35     1.82925   110.74480   -66.82521
   30    27 S   CT   _CA3    26     1.45282   123.22997   177.10403
   31    30 S   HC   HA31    27     1.09549   107.51563   -64.48126
   32    30 S   HC   HA32    28     1.09556   107.98029    51.95863
   33    29 S   CT   _C19    36     1.86075   101.91130   150.48092
   34    30 S   CO3  _C3_    29     1.52959   114.07032   173.95081
   35    34 S   O2Z  _O31    30     1.26377   116.06243    -0.65012
   36    34 S   O2Z  _O32    31     1.26427   114.41657   179.40917
   37    33 S   CM   _C10    37     1.53417   109.28879   168.47657
   38    33 S   CT   _C18    71     1.53800   111.83303   -68.26317
   39    38 S   HC   _H19    72     1.09929   108.77682   174.41749
   40    38 S   HC   _H20    73     1.09664   112.16365    60.38447
   41    37 S   CMA  _C9_    38     1.37368   119.73760   -89.73262
   42    41 S   OM   _O34    39     1.26969   128.68831  -167.39511
   43    37 S   CT   _C11    55     1.59396   116.08317    95.58418
   44    41 S   CMA  _C8_    40     1.53802   118.87675     9.55802
   45    44 S   OM   _O35    41     1.27042   113.78794   149.04289
   46    43 S   CT   _C12    56     1.56389   111.21765  -144.38904
   47    46 S   HC   _H11    57     1.09875   109.19670    46.49329
   48    46 S   HC   _H12    58     1.09436   111.05675   -71.12841
   49    43 S   CT   _C23    82     1.54981   107.53793    96.39760
   50    49 S   HC   _H27    83     1.09214   112.46835   154.74982
   51    49 S   HC   _H28    84     1.09559   111.99684    36.35543
   52    49 S   HC   _H29    85     1.09288   112.77498   -84.06106
   53    44 S   CM   _C7_    42     1.35731   118.63311   -31.12593
   54    46 S   CT   _C13    59     1.52771   115.50470   168.55371
   55    54 S   HC   _H13    60     1.09464   110.63283    68.30147
   56    54 S   HC   _H14    61     1.09701   108.74588  -175.89683
   57    33 S   CO4  _C20    43     1.53237   108.51857    51.36369
   58    57 S   O    _O33    44     1.23134   122.91297  -108.38313
   59    53 S   CT   _C5_    45     1.52439   127.78188  -175.36633
   60    59 S   HC   _H7_    46     1.09823   108.25179  -170.66874
   61    54 S   CT   _C14    62     1.51770   112.05399   -55.47662
   62    61 S   HC   _H15    63     1.09748   109.16744   179.79252
   63    61 S   HC   _H16    64     1.09863   108.33568   -65.14496
   64    59 S   CT   _C4_    47     1.53254   114.11181   -54.20930
   65    64 S   HC   _H4_    48     1.09411   112.45585    73.33073
   66    64 S   HC   _H5_    49     1.09523   111.20133   -48.43805
   67    64 S   HC   _H6_    50     1.09599   110.09192  -167.53057
   68    59 S   CT   _C6_    51     1.53037   111.45787    72.56528
   69    68 S   HC   _H8_    52     1.09503   111.93991   -66.58621
   70    68 S   HC   _H9_    53     1.09554   110.50963   173.50943
   71    68 S   HC   _H10    54     1.09565   110.99566    54.15818
   72    61 S   CT   _C15    65     1.54361   112.94580    56.46453
   73    43 S   CT   _C16    66     1.57974   109.51784   -26.32222
   74    73 S   HC   _H3_    67     1.10082   103.99470   -56.09376
   75    72 S   CT   _C21    74     1.54182   109.77064    73.57218
   76    75 S   HC   _H21    75     1.09379   112.15079   176.97800
   77    75 S   HC   _H22    76     1.09722   110.45046    58.35147
   78    75 S   HC   _H23    77     1.08899   113.28784   -60.70669
   79    72 S   CT   _C22    78     1.55019   106.94440  -171.40397
   80    79 S   HC   _H24    79     1.09499   111.73032  -174.00439
   81    79 S   HC   _H25    80     1.09586   111.39805    65.20277
   82    79 S   HC   _H26    81     1.09637   111.02677   -54.49331
   83    73 S   CT   _C17    68     1.54138   112.81341    57.23860
   84    83 S   HC   _H17    69     1.09732   108.88040  -151.41204
   85    83 S   HC   _H18    70     1.09405   111.76442    92.04756
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  18   2   1   1  23  13   6   5  10   4  21   8   3  16   7   6
   8   3   2   1  12   9   5   4   6   1   9   8  14   5   4   7
   3   2   1   3   2   1   1  13  12   5   8   3   2   1   4   2
   1   1   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    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    57    58    43    83    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    44    53    57    58    59    43    46    73    83    84    85    38    39    40    49  
   35    36  
   36  
    0  
   41    42    44    45    53    57    58    43    46    47    48    54    72    73    74    83    38    39    40    49    50    51    52  
   39    40    41    43    53    57    58    72    73    74    83    84    85  
   40    57    73    83    84    85  
   57    73    83    84    85  
   42    44    45    53    57    59    43    46    73    49  
   44    45    53    43  
   46    47    48    54    55    56    61    72    73    74    83    84    85    75    79    49    50    51    52    44    57  
   45    53    57    58    59    60    64    68  
   53    57    59  
   47    48    54    55    56    61    62    63    72    73    74    83    49    50    51    52  
   48    54    55    56    61    73    49  
   54    55    56    61    73    49  
   50    51    52    54    72    73    74    83  
   51    52    73  
   52    73  
   73  
   57    58    59    60    64    65    66    67    68    69    70    71  
   55    56    61    62    63    72    73    75    79  
   56    61    62    63    72  
   61    62    63    72  
   58    59    60    64    68    83  
   59  
   60    64    65    66    67    68    69    70    71  
   64    65    66    67    68    69    70    71  
   62    63    72    73    74    83    75    76    77    78    79    80    81    82  
   63    72    73    75    79  
   72    73    75    79  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    83    84    85    75    76    77    78    79    80    81    82  
   74    83    84    85    75    76    77    78    79    80    81    82  
   83    84    85    75    79  
   76    77    78    79    80    81    82    83  
   77    78    79  
   78    79  
   79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.167500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   317.000  1.522
   33    38   268.000  1.529
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    44   465.000  1.376
   44    45   745.000  1.250
   44    53   465.000  1.376
   53    57   320.000  1.462
   53    59   317.000  1.510
   57    58   570.000  1.229
   59    60   340.000  1.090
   59    64   268.000  1.529
   59    68   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   43    46   268.000  1.529
   43    73   268.000  1.529
   43    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    72   268.000  1.529
   72    73   268.000  1.529
   72    75   268.000  1.529
   72    79   268.000  1.529
   73    74   340.000  1.090
   73    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    38   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    57    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    57    53    65.00000  118.62400
   33    57    58    80.00000  120.40000
   33    38    83    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   37    41    42    65.00000  137.10300
   37    41    44    70.00000  117.34000
   37    43    46    70.00000  112.02700
   37    43    73    70.00000  112.02700
   37    43    49    70.00000  112.02700
   41    44    45    65.00000  137.10300
   41    44    53    70.00000  117.34000
   44    41    42    65.00000  137.10300
   44    53    57    60.00000  125.92000
   44    53    59    70.00000  124.00000
   53    44    45    65.00000  137.10300
   53    57    58    80.00000  123.72100
   53    59    60    35.00000  109.50000
   53    59    64    70.00000  112.02700
   53    59    68    70.00000  112.02700
   57    33    37    70.00000  109.06800
   59    53    57    65.00000  116.34900
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    37.50000  110.70000
   59    68    69    37.50000  110.70000
   59    68    70    37.50000  110.70000
   59    68    71    37.50000  110.70000
   64    59    60    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    59    60    37.50000  110.70000
   68    59    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   43    37    41    70.00000  124.00000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    54    58.35000  112.70000
   43    73    72    58.35000  112.70000
   43    73    74    37.50000  110.70000
   43    73    83    58.35000  112.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    61    58.35000  112.70000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    72    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    72    73    58.35000  112.70000
   61    72    75    58.35000  112.70000
   61    72    79    58.35000  112.70000
   63    61    62    33.00000  107.80000
   72    61    62    37.50000  110.70000
   72    61    63    37.50000  110.70000
   72    73    74    37.50000  110.70000
   72    73    83    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   73    43    46    58.35000  112.70000
   73    83    84    37.50000  110.70000
   73    83    85    37.50000  110.70000
   73    83    38    58.35000  112.70000
   83    73    74    37.50000  110.70000
   83    38    39    37.50000  110.70000
   83    38    40    37.50000  110.70000
   85    83    84    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    57    63.00000  111.10000
   38    83    84    37.50000  110.70000
   38    83    85    37.50000  110.70000
   40    38    39    33.00000  107.80000
   75    72    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    72    73    58.35000  112.70000
   79    72    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   49    43    46    58.35000  112.70000
   49    43    73    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  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    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    57    53   0.65300  1.0 1.0
   29    33    57    53  -0.03850 -1.0 2.0
   29    33    57    53   0.33900  1.0 3.0
   29    33    57    58   0.30150 -1.0 2.0
   29    33    38    83   0.44750  1.0 1.0
   29    33    38    83  -0.17800 -1.0 2.0
   29    33    38    83   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    37    43    46   0.46850  1.0 1.0
   33    37    43    46   0.08550 -1.0 2.0
   33    37    43    46   0.09800  1.0 3.0
   33    37    43    73   0.46850  1.0 1.0
   33    37    43    73   0.08550 -1.0 2.0
   33    37    43    73   0.09800  1.0 3.0
   33    37    43    49   0.46850  1.0 1.0
   33    37    43    49   0.08550 -1.0 2.0
   33    37    43    49   0.09800  1.0 3.0
   37    33    57    53   0.65300  1.0 1.0
   37    33    57    53  -0.03850 -1.0 2.0
   37    33    57    53   0.33900  1.0 3.0
   37    33    57    58   0.30150 -1.0 2.0
   37    33    38    83   0.34400  1.0 1.0
   37    33    38    83   0.09450 -1.0 2.0
   37    33    38    83   0.11100  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    41    44    45   7.00000 -1.0 2.0
   37    41   -44    53   7.00000 -1.0 2.0
   37    43    46    47   0.15000  1.0 3.0
   37    43    46    48   0.15000  1.0 3.0
   37    43    46    54   0.34400  1.0 1.0
   37    43    46    54   0.09450 -1.0 2.0
   37    43    46    54   0.11100  1.0 3.0
   37    43    73    72   0.34400  1.0 1.0
   37    43    73    72   0.09450 -1.0 2.0
   37    43    73    72   0.11100  1.0 3.0
   37    43    73    74   0.15000  1.0 3.0
   37    43   -73    83   0.34400  1.0 1.0
   37    43   -73    83   0.09450 -1.0 2.0
   37    43   -73    83   0.11100  1.0 3.0
   37    43    49    50   0.15000  1.0 3.0
   37    43    49    51   0.15000  1.0 3.0
   37    43    49    52   0.15000  1.0 3.0
   41    37    43    46   0.09850  1.0 1.0
   41    37    43    46   0.15250 -1.0 2.0
   41    37    43    46  -0.50650  1.0 3.0
   41    37    43    73   0.09850  1.0 1.0
   41    37    43    73   0.15250 -1.0 2.0
   41    37    43    73  -0.50650  1.0 3.0
   41    37    43    49   0.09850  1.0 1.0
   41    37    43    49   0.15250 -1.0 2.0
   41    37    43    49  -0.50650  1.0 3.0
   41    44    53    57   7.00000 -1.0 2.0
   41    44    53    59   7.00000 -1.0 2.0
   42    41    44    45   7.00000 -1.0 2.0
   42    41    44    53   7.00000 -1.0 2.0
   44    53   -57    33  -0.33500  1.0 1.0
   44    53   -57    33   1.06600 -1.0 2.0
   44    53   -57    33  -0.14000  1.0 3.0
   44    53    57    58   1.00000 -1.0 2.0
   44    53    59    60   0.00000  1.0 1.0
   44    53    59    64   0.09850  1.0 1.0
   44    53    59    64   0.15250 -1.0 2.0
   44    53    59    64  -0.50650  1.0 3.0
   44    53    59    68   0.09850  1.0 1.0
   44    53    59    68   0.15250 -1.0 2.0
   44    53    59    68  -0.50650  1.0 3.0
   45    44    53    57   7.00000 -1.0 2.0
   45    44    53    59   7.00000 -1.0 2.0
   53    59    64    65   0.15000  1.0 3.0
   53    59    64    66   0.15000  1.0 3.0
   53    59    64    67   0.15000  1.0 3.0
   53    59    68    69   0.15000  1.0 3.0
   53    59    68    70   0.15000  1.0 3.0
   53    59    68    71   0.15000  1.0 3.0
   57    33   -37    41  -0.51250  1.0 1.0
   57    33   -37    41  -0.88800 -1.0 2.0
   57    33   -37    41   0.08850  1.0 3.0
   57    33    37    43   0.17250  1.0 1.0
   57    33    37    43  -0.04100 -1.0 2.0
   57    33    37    43  -0.33850  1.0 3.0
   57    33    38    83  -0.95700  1.0 1.0
   57    33    38    83  -0.18200 -1.0 2.0
   57    33    38    83   0.29450  1.0 3.0
   57    33    38    39  -0.11250  1.0 3.0
   57    33    38    40  -0.11250  1.0 3.0
   57    53    59    60   0.15000  1.0 3.0
   57    53    59    64   0.09700  1.0 1.0
   57    53    59    64   0.15600 -1.0 2.0
   57    53    59    64  -0.50800  1.0 3.0
   57    53    59    68   0.09700  1.0 1.0
   57    53    59    68   0.15600 -1.0 2.0
   57    53    59    68  -0.50800  1.0 3.0
   59    53    57    33   0.25700  1.0 1.0
   59    53    57    33   0.66200 -1.0 2.0
   59    53    57    33   0.04450  1.0 3.0
   59    53    57    58  -0.64400  1.0 1.0
   59    53    57    58   0.26850 -1.0 2.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    67   0.15000  1.0 3.0
   60    59    68    69   0.15000  1.0 3.0
   60    59    68    70   0.15000  1.0 3.0
   60    59    68    71   0.15000  1.0 3.0
   64    59    68    69   0.15000  1.0 3.0
   64    59    68    70   0.15000  1.0 3.0
   64    59    68    71   0.15000  1.0 3.0
   68    59    64    65   0.15000  1.0 3.0
   68    59    64    66   0.15000  1.0 3.0
   68    59    64    67   0.15000  1.0 3.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    44   7.00000 -1.0 2.0
   43    46    54    55   0.15000  1.0 3.0
   43    46    54    56   0.15000  1.0 3.0
   43    46    54    61   0.56750  1.0 1.0
   43    46    54    61  -0.07550 -1.0 2.0
   43    46    54    61   0.20000  1.0 3.0
   43    73    83    84   0.15000  1.0 3.0
   43    73    83    85   0.15000  1.0 3.0
   43    73    83    38   0.56750  1.0 1.0
   43    73    83    38  -0.07550 -1.0 2.0
   43    73    83    38   0.20000  1.0 3.0
   46    43    73    72   0.56750  1.0 1.0
   46    43    73    72  -0.07550 -1.0 2.0
   46    43    73    72   0.20000  1.0 3.0
   46    43    73    74   0.15000  1.0 3.0
   46    43    73    83   0.56750  1.0 1.0
   46    43    73    83  -0.07550 -1.0 2.0
   46    43    73    83   0.20000  1.0 3.0
   46    43    49    50   0.15000  1.0 3.0
   46    43    49    51   0.15000  1.0 3.0
   46    43    49    52   0.15000  1.0 3.0
   46    54    61    62   0.15000  1.0 3.0
   46    54    61    63   0.15000  1.0 3.0
   46    54   -61    72   0.56750  1.0 1.0
   46    54   -61    72  -0.07550 -1.0 2.0
   46    54   -61    72   0.20000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    61   0.15000  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    56   0.15000  1.0 3.0
   48    46    54    61   0.15000  1.0 3.0
   54    61    72    73   0.56750  1.0 1.0
   54    61    72    73  -0.07550 -1.0 2.0
   54    61    72    73   0.20000  1.0 3.0
   54    61    72    75   0.56750  1.0 1.0
   54    61    72    75  -0.07550 -1.0 2.0
   54    61    72    75   0.20000  1.0 3.0
   54    61    72    79   0.56750  1.0 1.0
   54    61    72    79  -0.07550 -1.0 2.0
   54    61    72    79   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    72   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    72   0.15000  1.0 3.0
   61    72   -73    43   0.56750  1.0 1.0
   61    72   -73    43  -0.07550 -1.0 2.0
   61    72   -73    43   0.20000  1.0 3.0
   61    72    73    74   0.15000  1.0 3.0
   61    72    73    83   0.56750  1.0 1.0
   61    72    73    83  -0.07550 -1.0 2.0
   61    72    73    83   0.20000  1.0 3.0
   61    72    75    76   0.15000  1.0 3.0
   61    72    75    77   0.15000  1.0 3.0
   61    72    75    78   0.15000  1.0 3.0
   61    72    79    80   0.15000  1.0 3.0
   61    72    79    81   0.15000  1.0 3.0
   61    72    79    82   0.15000  1.0 3.0
   62    61    72    73   0.15000  1.0 3.0
   62    61    72    75   0.15000  1.0 3.0
   62    61    72    79   0.15000  1.0 3.0
   63    61    72    73   0.15000  1.0 3.0
   63    61    72    75   0.15000  1.0 3.0
   63    61    72    79   0.15000  1.0 3.0
   72    73    83    84   0.15000  1.0 3.0
   72    73    83    85   0.15000  1.0 3.0
   72    73    83    38   0.56750  1.0 1.0
   72    73    83    38  -0.07550 -1.0 2.0
   72    73    83    38   0.20000  1.0 3.0
   73    43    46    47   0.15000  1.0 3.0
   73    43    46    48   0.15000  1.0 3.0
   73    43   -46    54   0.56750  1.0 1.0
   73    43   -46    54  -0.07550 -1.0 2.0
   73    43   -46    54   0.20000  1.0 3.0
   73    43    49    50   0.15000  1.0 3.0
   73    43    49    51   0.15000  1.0 3.0
   73    43    49    52   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    81   0.15000  1.0 3.0
   73    72    79    82   0.15000  1.0 3.0
   73    83   -38    33   0.56750  1.0 1.0
   73    83   -38    33  -0.07550 -1.0 2.0
   73    83   -38    33   0.20000  1.0 3.0
   73    83    38    39   0.15000  1.0 3.0
   73    83    38    40   0.15000  1.0 3.0
   74    73    83    84   0.15000  1.0 3.0
   74    73    83    85   0.15000  1.0 3.0
   74    73    83    38   0.15000  1.0 3.0
   84    83    38    33   0.15000  1.0 3.0
   84    83    38    39   0.15000  1.0 3.0
   84    83    38    40   0.15000  1.0 3.0
   85    83    38    33   0.15000  1.0 3.0
   85    83    38    39   0.15000  1.0 3.0
   85    83    38    40   0.15000  1.0 3.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33   -37    43   0.46850  1.0 1.0
   38    33   -37    43   0.08550 -1.0 2.0
   38    33   -37    43   0.09800  1.0 3.0
   38    33    57    53   0.65300  1.0 1.0
   38    33    57    53  -0.03850 -1.0 2.0
   38    33    57    53   0.33900  1.0 3.0
   38    33    57    58   0.30150 -1.0 2.0
   75    72    73    43   0.56750  1.0 1.0
   75    72    73    43  -0.07550 -1.0 2.0
   75    72    73    43   0.20000  1.0 3.0
   75    72    73    74   0.15000  1.0 3.0
   75    72    73    83   0.56750  1.0 1.0
   75    72    73    83  -0.07550 -1.0 2.0
   75    72    73    83   0.20000  1.0 3.0
   75    72    79    80   0.15000  1.0 3.0
   75    72    79    81   0.15000  1.0 3.0
   75    72    79    82   0.15000  1.0 3.0
   79    72    73    43   0.56750  1.0 1.0
   79    72    73    43  -0.07550 -1.0 2.0
   79    72    73    43   0.20000  1.0 3.0
   79    72    73    74   0.15000  1.0 3.0
   79    72    73    83   0.56750  1.0 1.0
   79    72    73    83  -0.07550 -1.0 2.0
   79    72    73    83   0.20000  1.0 3.0
   79    72    75    76   0.15000  1.0 3.0
   79    72    75    77   0.15000  1.0 3.0
   79    72    75    78   0.15000  1.0 3.0
   49    43    46    47   0.15000  1.0 3.0
   49    43    46    48   0.15000  1.0 3.0
   49    43    46    54   0.56750  1.0 1.0
   49    43    46    54  -0.07550 -1.0 2.0
   49    43    46    54   0.20000  1.0 3.0
   49    43    73    72   0.56750  1.0 1.0
   49    43    73    72  -0.07550 -1.0 2.0
   49    43    73    72   0.20000  1.0 3.0
   49    43    73    74   0.15000  1.0 3.0
   49    43    73    83   0.56750  1.0 1.0
   49    43    73    83  -0.07550 -1.0 2.0
   49    43    73    83   0.20000  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    43    37    41   1.10000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   41    45    44    53   1.10000 -1.0 2.0
   57    59    53    44   1.10000 -1.0 2.0
   33    53    57    58  10.50000 -1.0 2.0
END
