* LIGAND DATABASE FILE (OPLS2005)
*
001      84    83    146    214     427
    1     0 S   NP   _N1_     1    28.74920    96.00636   -23.89077
    2     1 S   H    _HN1     2     1.02951    75.51452    13.43927
    3     1 S   H    _H1_     3     1.02829    34.52116   169.03741
    4     1 S   H    _H2_     4     1.02784   105.61831   -91.96211
    5     1 S   CT   _CA1     5     1.50107   136.60480   117.96686
    6     5 S   HC   _HA1     6     1.09573   105.21022    87.34142
    7     5 S   CO3  _C1_     7     1.53798   112.46195   -32.91252
    8     7 S   O2Z  _O11     8     1.26371   115.00916   -42.59108
    9     7 S   O2Z  _O12     9     1.26243   114.95153   136.60002
   10     5 S   CT   _CB1    10     1.53088   107.42702  -154.66515
   11    10 S   HC   HB11    11     1.09830   109.39751   -49.82597
   12    10 S   HC   HB12    12     1.09814   110.43234    66.78873
   13    10 S   CT   _CG1    13     1.52980   112.59048  -170.81838
   14    13 S   HC   HG11    14     1.09586   110.59007   -64.85806
   15    13 S   HC   HG12    15     1.09669   109.82319    54.36261
   16    13 S   C    _CD1    16     1.51797   112.30032   174.82282
   17    16 S   O    _OE1    17     1.22722   123.31724     4.82333
   18    16 S   N    _N2_    18     1.38648   111.61152  -175.24659
   19    18 S   H    _HN2    19     1.01579   118.92012     1.95264
   20    18 S   CT1  _CA2    20     1.46200   123.43393   178.06913
   21    20 S   HC   _HA2    21     1.09734   109.38875     1.59912
   22    20 S   C    _C2_    22     1.53531   108.58908  -113.91273
   23    22 S   O    _O2_    23     1.23055   122.28847  -147.87593
   24    20 S   CT   _CB2    32     1.53340   111.48438   123.63192
   25    24 S   HC   HB21    33     1.09486   109.91659    56.18773
   26    24 S   HC   HB22    34     1.09518   110.21925   175.15014
   27    22 S   N    _N3_    24     1.38334   113.69039    39.57018
   28    27 S   H    _HN3    25     1.01592   119.57899    -3.34287
   29    24 S   S    _SG2    35     1.82793   111.48071   -65.22967
   30    27 S   CT   _CA3    26     1.45290   123.19453   177.10917
   31    30 S   HC   HA31    27     1.09550   107.50906   -64.51289
   32    30 S   HC   HA32    28     1.09557   107.98075    51.91938
   33    29 S   CT   _C15    36     1.83729    99.57677   179.04715
   34    33 S   HC   _H3_    37     1.09627   107.87761    40.65517
   35    30 S   CO3  _C3_    29     1.52956   114.09447   173.91295
   36    35 S   O2Z  _O31    30     1.26374   116.06425    -0.79746
   37    35 S   O2Z  _O32    31     1.26429   114.41294   179.26565
   38    33 S   CM   _C14    38     1.50937   107.37498   159.16815
   39    38 S   HC   _H18    39     1.08864   117.32664    62.79650
   40    33 S   CT   _C16    64     1.53488   110.34580   -80.17202
   41    40 S   HC   _H19    65     1.09819   110.60872   -65.10338
   42    40 S   HC   _H20    66     1.09638   111.10505    54.04150
   43    38 S   CM   _C13    40     1.34215   123.65004  -119.55299
   44    43 S   HC   _H17    41     1.08742   119.60116     1.51116
   45    40 S   C    _C17    67     1.52234   112.46826   172.66329
   46    45 S   O    _O33    68     1.22801   122.94388   -23.59431
   47    43 S   CT   _C12    42     1.50112   123.57567  -177.04885
   48    47 S   HC   _H15    43     1.09748   110.49228    -7.99515
   49    47 S   HC   _H16    44     1.09684   108.77493  -124.81685
   50    45 S   N    _N4_    69     1.38587   112.09565   158.37003
   51    50 S   H    _H21    70     1.01503   119.33670     0.20558
   52    47 S   CT   _C11    45     1.52990   110.59445   114.03116
   53    52 S   HC   _H13    46     1.09780   109.88742    64.45993
   54    52 S   HC   _H14    47     1.09561   110.31964   -51.45629
   55    50 S   CT   _C18    71     1.45534   123.06078  -178.78921
   56    55 S   HC   _H22    72     1.09619   108.14032   -25.98781
   57    55 S   HC   _H23    73     1.09568   106.52678  -142.07411
   58    52 S   CM   _C10    48     1.50281   111.53170  -175.61572
   59    58 S   HC   _H12    49     1.08906   115.19648   -78.80110
   60    55 S   CT   _C19    74     1.54088   113.12058    96.20963
   61    58 S   CM   _C9_    50     1.34258   127.55229   102.32241
   62    61 S   HC   _H11    51     1.08876   117.38510   178.51813
   63    60 S   CT   _C20    75     1.53191   109.43713   178.01643
   64    63 S   HC   _H24    76     1.09604   110.79483    59.46524
   65    63 S   HC   _H25    77     1.09611   110.98109   177.35507
   66    63 S   HC   _H26    78     1.09489   111.61706   -61.61614
   67    60 S   CT   _C21    79     1.53056   112.13768    55.58866
   68    67 S   HC   _H27    80     1.09555   111.32859   -65.69174
   69    67 S   HC   _H28    81     1.09586   110.74958   176.57206
   70    67 S   HC   _H29    82     1.09477   111.55056    56.01541
   71    60 S   OH   _O34    83     1.42932   108.74902   -64.53564
   72    71 S   HO   _H30    84     0.97242   108.10918  -178.20659
   73    61 S   CM   _C8_    52     1.44652   126.25084    -2.68205
   74    73 S   HC   _H10    53     1.08619   117.73115    -3.62796
   75    73 S   CM   _C7_    54     1.34188   122.96095   177.20012
   76    75 S   HC   _H9_    55     1.08771   120.09663    -0.64072
   77    75 S   CM   _C6_    56     1.44591   122.81251   179.38515
   78    77 S   HC   _H8_    57     1.08693   117.27161    -1.19239
   79    77 S   CM   _C5_    58     1.34093   123.24392   178.94260
   80    79 S   HC   _H7_    59     1.08743   120.14302    -0.05234
   81    79 S   CT   _C4_    60     1.49370   123.61915  -179.98022
   82    81 S   HC   _H4_    61     1.09425   109.89674  -120.34674
   83    81 S   HC   _H5_    62     1.09466   112.30326     0.11535
   84    81 S   HC   _H6_    63     1.09427   109.88475   120.53217
  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   9   5   4   3
  12   7   2   1   1  11   4   8   4   3   8   4   7   3   8   5
   4   8   4   7   4   3  13   5   4   6   3  10   6   3   9   4
   3   2   5   3   2   1   1   1   6   3   6   3   7   3   5   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    49    52    40    41    42    45  
   43    44    47    40  
   41    42    45    46    50    51    55    43  
   42    45    46    50  
   45    46    50  
   44    47    48    49    52    53    54    58  
   47    48    49    52  
   46    50    51    55    56    57    60  
   50    51    55  
   48    49    52    53    54    58    59    61  
   49    52    53    54    58  
   52    53    54    58  
   51    55    56    57    60    63    67    71  
   55    56    57    60  
   53    54    58    59    61    62    73  
   54    58    59    61  
   58    59    61  
   56    57    60    63    64    65    66    67    68    69    70    71    72  
   57    60    63    67    71  
   60    63    67    71  
   59    61    62    73    74    75  
   61    62    73  
   63    64    65    66    67    68    69    70    71    72  
   62    73    74    75    76    77  
   73    74    75  
   64    65    66    67    68    69    70    71    72  
   65    66    67    71  
   66    67    71  
   67    71  
   68    69    70    71    72  
   69    70    71  
   70    71  
   71  
   72  
    0  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81    82    83    84  
   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  -0.335000   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   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    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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    58   317.000  1.510
   58    59   340.000  1.080
   58    61   549.000  1.340
   61    62   340.000  1.080
   61    73   380.000  1.444
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   340.000  1.080
   75    77   380.000  1.444
   77    78   340.000  1.080
   77    79   549.000  1.340
   79    80   340.000  1.080
   79    81   317.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    50   490.000  1.335
   50    51   434.000  1.010
   50    55   337.000  1.449
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    63   268.000  1.529
   60    67   268.000  1.529
   60    71   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   553.000  0.945
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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    70.00000  124.00000
   43    38    39    35.00000  120.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    52    70.00000  112.02700
   47    43    44    35.00000  117.00000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    58    70.00000  112.02700
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    58    59    35.00000  117.00000
   52    58    61    70.00000  124.00000
   54    52    53    33.00000  107.80000
   58    52    53    35.00000  109.50000
   58    52    54    35.00000  109.50000
   58    61    62    35.00000  120.00000
   58    61    73    70.00000  123.01800
   61    58    59    35.00000  120.00000
   61    73    74    35.00000  120.00000
   61    73    75    70.00000  123.01800
   73    61    62    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    70.00000  123.01800
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    70.00000  123.01800
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    70.00000  124.00000
   79    77    78    35.00000  120.00000
   79    81    82    35.00000  109.50000
   79    81    83    35.00000  109.50000
   79    81    84    35.00000  109.50000
   81    79    80    35.00000  117.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    50    70.00000  116.60000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    50    51    35.00000  119.80000
   45    50    55    50.00000  121.90000
   50    45    46    80.00000  122.90000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    60    70.00000  110.72300
   55    50    51    38.00000  118.40000
   55    60    63    58.35000  112.70000
   55    60    67    58.35000  112.70000
   55    60    71    50.00000  109.50000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    37.50000  110.70000
   60    71    72    55.00000  108.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    60    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    60    63    50.00000  109.50000
   71    60    67    50.00000  109.50000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    50   1.39750  1.0 1.0
   33    40    45    50  -0.07950 -1.0 2.0
   33    40    45    50  -0.18750  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    48   0.00000  1.0 1.0
   38    43    47    49   0.00000  1.0 1.0
   38    43    47    52   0.09850  1.0 1.0
   38    43    47    52   0.15250 -1.0 2.0
   38    43    47    52  -0.50650  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    52    53   0.15000  1.0 3.0
   43    47    52    54   0.15000  1.0 3.0
   43    47    52    58   0.31000  1.0 1.0
   43    47    52    58   0.14700 -1.0 2.0
   43    47    52    58   0.07550  1.0 3.0
   44    43    47    48   0.33100  1.0 3.0
   44    43    47    49   0.33100  1.0 3.0
   44    43    47    52   0.00000  1.0 1.0
   47    52    58    59   0.00000  1.0 1.0
   47    52    58    61   0.09850  1.0 1.0
   47    52    58    61   0.15250 -1.0 2.0
   47    52    58    61  -0.50650  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    58   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    58   0.15000  1.0 3.0
   52    58    61    62   7.00000 -1.0 2.0
   52    58    61    73   7.00000 -1.0 2.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    61   0.00000  1.0 1.0
   54    52    58    59   0.33100  1.0 3.0
   54    52    58    61   0.00000  1.0 1.0
   58    61    73    74  -0.18600  1.0 3.0
   58    61    73    75   0.28850  1.0 1.0
   58    61    73    75   2.61350 -1.0 2.0
   58    61    73    75   0.78400  1.0 3.0
   59    58    61    62   7.00000 -1.0 2.0
   59    58    61    73   7.00000 -1.0 2.0
   61    73    75    76   7.00000 -1.0 2.0
   61    73    75    77   7.00000 -1.0 2.0
   62    61    73    74   0.00000  1.0 1.0
   62    61    73    75  -0.18600  1.0 3.0
   73    75    77    78  -0.18600  1.0 3.0
   73    75    77    79   0.28850  1.0 1.0
   73    75    77    79   2.61350 -1.0 2.0
   73    75    77    79   0.78400  1.0 3.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    77   7.00000 -1.0 2.0
   75    77    79    80   7.00000 -1.0 2.0
   75    77    79    81   7.00000 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79  -0.18600  1.0 3.0
   77    79    81    82   0.00000  1.0 1.0
   77    79    81    83   0.00000  1.0 1.0
   77    79    81    84   0.00000  1.0 1.0
   78    77    79    80   7.00000 -1.0 2.0
   78    77    79    81   7.00000 -1.0 2.0
   80    79    81    82   0.33100  1.0 3.0
   80    79    81    83   0.33100  1.0 3.0
   80    79    81    84   0.33100  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    50    51   2.45000 -1.0 2.0
   40    45    50    55   1.49850  1.0 1.0
   40    45    50    55   1.53950 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    50   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    50   0.00000  1.0 1.0
   45    50    55    56   0.00000  1.0 1.0
   45    50    55    57   0.00000  1.0 1.0
   45    50    55    60  -0.43950  1.0 1.0
   45    50    55    60  -0.08100 -1.0 2.0
   45    50    55    60   0.03350  1.0 3.0
   46    45    50    51   2.45000 -1.0 2.0
   46    45    50    55   3.04450 -1.0 2.0
   50    55    60    63   0.43900  1.0 1.0
   50    55    60    63   0.49100 -1.0 2.0
   50    55    60    63   0.28400  1.0 3.0
   50    55    60    67   0.43900  1.0 1.0
   50    55    60    67   0.49100 -1.0 2.0
   50    55    60    67   0.28400  1.0 3.0
   50    55    60    71   2.76900  1.0 1.0
   50    55    60    71  -0.24350 -1.0 2.0
   50    55    60    71  -0.78250  1.0 3.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    55    60   0.00000  1.0 1.0
   55    60    63    64   0.15000  1.0 3.0
   55    60    63    65   0.15000  1.0 3.0
   55    60    63    66   0.15000  1.0 3.0
   55    60    67    68   0.15000  1.0 3.0
   55    60    67    69   0.15000  1.0 3.0
   55    60    67    70   0.15000  1.0 3.0
   55    60    71    72  -0.11600  1.0 1.0
   55    60    71    72  -0.09450 -1.0 2.0
   55    60    71    72   0.21250  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   56    55    60    67   0.15000  1.0 3.0
   56    55    60    71   0.23400  1.0 3.0
   57    55    60    63   0.15000  1.0 3.0
   57    55    60    67   0.15000  1.0 3.0
   57    55    60    71   0.23400  1.0 3.0
   63    60    67    68   0.15000  1.0 3.0
   63    60    67    69   0.15000  1.0 3.0
   63    60    67    70   0.15000  1.0 3.0
   63    60    71    72  -0.11600  1.0 1.0
   63    60    71    72  -0.09450 -1.0 2.0
   63    60    71    72   0.21250  1.0 3.0
   67    60    63    64   0.15000  1.0 3.0
   67    60    63    65   0.15000  1.0 3.0
   67    60    63    66   0.15000  1.0 3.0
   67    60    71    72  -0.11600  1.0 1.0
   67    60    71    72  -0.09450 -1.0 2.0
   67    60    71    72   0.21250  1.0 3.0
   71    60    63    64   0.23400  1.0 3.0
   71    60    63    65   0.23400  1.0 3.0
   71    60    63    66   0.23400  1.0 3.0
   71    60    67    68   0.23400  1.0 3.0
   71    60    67    69   0.23400  1.0 3.0
   71    60    67    70   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   52    59    58    61  15.00000 -1.0 2.0
   73    62    61    58  15.00000 -1.0 2.0
   61    74    73    75  15.00000 -1.0 2.0
   77    76    75    73  15.00000 -1.0 2.0
   75    78    77    79  15.00000 -1.0 2.0
   81    80    79    77  15.00000 -1.0 2.0
   40    50    45    46  10.50000 -1.0 2.0
   51    45    50    55   1.00000 -1.0 2.0
END
