* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    163    241     477
    1     0 S   NP   _N1_     1    29.26000    92.86451   -18.51795
    2     1 S   H    _HN1     2     1.03089   113.18416    65.01509
    3     1 S   H    _H1_     3     1.02809    19.38701   138.53669
    4     1 S   H    _H2_     4     1.02776    88.37294   -43.16640
    5     1 S   CT   _CA1     5     1.49991   121.37199  -158.71825
    6     5 S   HC   _HA1     6     1.09591   105.10709    41.44430
    7     5 S   CO3  _C1_     7     1.53812   112.51359   -78.53881
    8     7 S   O2Z  _O11     8     1.26290   115.30967   -51.27592
    9     7 S   O2Z  _O12     9     1.26296   114.78890   128.17621
   10     5 S   CT   _CB1    10     1.53122   107.70671   158.97530
   11    10 S   HC   HB11    11     1.09791   109.33070   -50.91319
   12    10 S   HC   HB12    12     1.09664   110.57907    65.64749
   13    10 S   CT   _CG1    13     1.53078   112.77728  -172.58196
   14    13 S   HC   HG11    14     1.09500   110.22135   -60.71219
   15    13 S   HC   HG12    15     1.09598   110.55951    58.04305
   16    13 S   C    _CD1    16     1.51822   110.78794   177.04985
   17    16 S   O    _OE1    17     1.22863   121.99751   -47.59657
   18    16 S   N    _N2_    18     1.38402   112.93391   133.40439
   19    18 S   H    _HN2    19     1.01523   119.41139     0.86998
   20    18 S   CT1  _CA2    20     1.46421   123.49256  -179.09669
   21    20 S   HC   _HA2    21     1.09738   109.43783    -9.92420
   22    20 S   C    _C2_    22     1.53482   108.07710  -125.42771
   23    22 S   O    _O2_    23     1.23002   122.44151  -144.70437
   24    20 S   CT   _CB2    32     1.53592   111.34905   112.24423
   25    24 S   HC   HB21    33     1.09329   109.20590    55.11092
   26    24 S   HC   HB22    34     1.09505   110.06988   173.72333
   27    22 S   N    _N3_    24     1.38587   113.31430    42.63368
   28    27 S   H    _HN3    25     1.01515   118.89137    -0.45327
   29    24 S   S    _SG2    35     1.83318   110.84105   -67.11111
   30    27 S   CT   _CA3    26     1.45438   123.40528   175.32291
   31    30 S   HC   HA31    27     1.09527   109.18110    25.47751
   32    30 S   HC   HA32    28     1.09495   107.12762   142.44744
   33    29 S   CT   _C17    36     1.87787   103.11331   163.75056
   34    33 S   OM   _O36    37     1.32194   110.11332    46.55903
   35    30 S   CO3  _C3_    29     1.52924   113.18758   -97.98231
   36    35 S   O2Z  _O31    30     1.26398   115.43339   -44.39502
   37    35 S   O2Z  _O32    31     1.26363   114.97507   136.59920
   38    33 S   CM   _C12    38     1.60149   105.75791   167.85543
   39    38 S   CT   _C13    39     1.57606   114.42240    90.68217
   40    38 S   CMA  _C11    71     1.38600   122.59142   -84.37755
   41    40 S   OM   _O42    72     1.26835   130.37072     0.55461
   42    39 S   CT   _C14    40     1.53836   113.78143    33.91061
   43    42 S   HC   _H13    41     1.09788   111.37874  -176.29107
   44    42 S   HC   _H14    42     1.10106   109.46965    70.76360
   45    39 S   CT   _C18    50     1.55168   109.14138   -91.97685
   46    45 S   HC   _H18    51     1.09578   111.52160   -62.55463
   47    45 S   HC   _H19    52     1.09254   111.18377    55.96294
   48    39 S   OH   _O41    69     1.43743   110.40877   149.23936
   49    48 S   HO   _H26    70     0.97319   108.24116   171.21217
   50    40 S   CT   _C10    73     1.53449   122.49431   176.33195
   51    50 S   HC   _H11    74     1.09302   111.31648   -35.21970
   52    50 S   HC   _H12    75     1.10149   112.34056  -151.04260
   53    42 S   CT   _C15    43     1.51141   113.34645   -51.81792
   54    53 S   HC   _H3_    44     1.09353   111.87886   -59.48732
   55    45 S   CO4  _C19    53     1.52424   114.23596   177.65908
   56    55 S   O    _O38    54     1.23089   120.83948    59.45161
   57    50 S   CO4  _C9_    76     1.53272   113.34707    88.20080
   58    57 S   O    _O35    77     1.23068   123.39837    20.72787
   59    33 S   CT   _C16    45     1.55315   110.23352   -67.89298
   60    59 S   HC   _H15    46     1.10430   110.46623   165.29287
   61    59 S   HC   _H16    47     1.09853   112.55355    50.55231
   62    53 S   OH   _O37    48     1.42606   108.29597  -177.62035
   63    62 S   HO   _H17    49     0.97241   107.28944   179.69417
   64    55 S   CT   _C20    55     1.52887   115.58668  -119.32005
   65    64 S   HC   _H20    56     1.09934   107.52236   -52.64423
   66    64 S   HC   _H21    57     1.09765   107.15528    61.23069
   67    57 S   CT   _C8_    78     1.51402   115.37206  -162.27789
   68    67 S   HC   _H9_    79     1.09485   109.69644    45.55234
   69    67 S   HC   _H10    80     1.09523   107.88646   -72.04057
   70    64 S   CMA  _C21    58     1.52419   114.14199  -177.32548
   71    70 S   OM   _O40    59     1.26200   111.36834   100.73817
   72    67 S   CO4  _C7_    81     1.51232   114.56854   166.61691
   73    72 S   O    _O34    82     1.23107   120.55482   116.20298
   74    70 S   CM   _C22    60     1.35160   116.01908   -81.77511
   75    74 S   HC   _H22    61     1.08776   119.24517     1.96901
   76    72 S   CT   _C6_    83     1.51567   116.78962   -67.94018
   77    76 S   HC   _H7_    84     1.09529   106.83712   -78.84099
   78    76 S   HC   _H8_    85     1.09399   109.48091    38.77287
   79    74 S   CO4  _C23    62     1.49088   124.14536  -177.95828
   80    79 S   O    _O39    63     1.22207   125.07460     2.63151
   81    76 S   CO4  _C5_    86     1.51324   116.15628   159.72459
   82    81 S   O    _O33    87     1.22977   123.10185   -19.56895
   83    79 S   S    _S1_    64     1.76421   112.31195  -177.68049
   84    81 S   CT   _C4_    88     1.50713   116.09275   162.96801
   85    84 S   HC   _H4_    89     1.09276   109.54377    60.80792
   86    84 S   HC   _H5_    90     1.09357   109.73862  -179.60386
   87    84 S   HC   _H6_    91     1.09280   109.62566   -60.27042
   88    83 S   CT   _C24    65     1.80566   100.29044  -179.58931
   89    88 S   HC   _H23    66     1.09324   109.27671   179.98022
   90    88 S   HC   _H24    67     1.09339   110.53413    60.65181
   91    88 S   HC   _H25    68     1.09339   110.53642   -60.68478
  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
  15   7   2   1   1  20  18  11   4  15   7   6  11   5   4   3
   1   8   4   3   6   5   7   4   7   4   4   2   1   1   1   7
   4   3   8   4   3   6   3   7   4   5   3   8   4   3   6   2
   5   4   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    53    59    60    61    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    53    54    59    60    61    62    45    48    40    41    50  
   38    39    53    59    60    61    40  
   36    37  
   37  
    0  
   39    42    43    44    53    59    60    61    45    46    47    55    48    49    40    41    50    51    52    57  
   42    43    44    53    54    59    62    45    46    47    55    56    64    48    49    40    41    50  
   41    50    51    52    57    58    67    42    45    48    59  
   50    51    52    57  
   43    44    53    54    59    60    61    62    63    45    46    47    55    48    49  
   44    53    54    59    62    45    48  
   53    54    59    62    45    48  
   46    47    55    56    64    65    66    70    48    49    53  
   47    55    56    64    48  
   55    56    64    48  
   49    53    55  
    0  
   51    52    57    58    67    68    69    72  
   52    57    58    67  
   57    58    67  
   54    59    60    61    62    63  
   59    60    61    62    63  
   56    64    65    66    70    71    74  
   64    65    66    70  
   58    67    68    69    72    73    76  
   67    68    69    72  
   60    61    62    63  
   61    62  
   62  
   63  
    0  
   65    66    70    71    74    75    79  
   66    70    71    74  
   70    71    74  
   68    69    72    73    76    77    78    81  
   69    72    73    76  
   72    73    76  
   71    74    75    79    80    83  
   74    75    79  
   73    76    77    78    81    82    84  
   76    77    78    81  
   75    79    80    83    88  
   79    80    83  
   77    78    81    82    84    85    86    87  
   78    81    82    84  
   81    82    84  
   80    83    88    89    90    91  
   83    88  
   82    84    85    86    87  
   84    85    86    87  
   88    89    90    91  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91  
   90    91  
   91  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   71   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   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   570.000  1.307
   33    38   317.000  1.510
   33    59   268.000  1.529
   38    39   317.000  1.510
   38    40   465.000  1.376
   39    42   268.000  1.529
   39    45   268.000  1.529
   39    48   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    53   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    62   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   62    63   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    55   317.000  1.522
   55    56   570.000  1.229
   55    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   270.000  1.512
   70    71   745.000  1.250
   70    74   465.000  1.376
   74    75   340.000  1.080
   74    79   320.000  1.462
   79    80   570.000  1.229
   79    83   210.000  1.799
   83    88   222.000  1.810
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   48    49   553.000  0.945
   40    41   745.000  1.250
   40    50   270.000  1.512
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   317.000  1.522
   57    58   570.000  1.229
   57    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.522
   72    73   570.000  1.229
   72    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   317.000  1.522
   81    82   570.000  1.229
   81    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    59    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    40    70.00000  124.00000
   33    59    53    58.35000  112.70000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   38    33    34    85.00000  110.90400
   38    39    42    70.00000  112.02700
   38    39    45    70.00000  112.02700
   38    39    48    90.00000  110.39200
   38    40    41    65.00000  137.10300
   38    40    50    65.00000  122.18000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    53    58.35000  112.70000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    55    63.00000  111.10000
   39    48    49    55.00000  108.50000
   42    53    54    37.50000  110.70000
   42    53    59    58.35000  112.70000
   42    53    62    50.00000  109.50000
   44    42    43    33.00000  107.80000
   53    42    43    37.50000  110.70000
   53    42    44    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    62    63    55.00000  108.50000
   59    33    34    50.00000  109.50000
   59    33    38    70.00000  112.02700
   59    53    54    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    53    54    35.00000  109.50000
   62    53    59    50.00000  109.50000
   45    39    42    58.35000  112.70000
   45    55    56    80.00000  120.40000
   45    55    64    70.00000  116.00000
   47    45    46    33.00000  107.80000
   55    45    46    35.00000  109.50000
   55    45    47    35.00000  109.50000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    70    70.00000  109.06800
   64    55    56    80.00000  120.40000
   64    70    71    85.00000  112.85300
   64    70    74    65.00000  122.18000
   66    64    65    33.00000  107.80000
   70    64    65    45.00000  110.52000
   70    64    66    45.00000  110.52000
   70    74    75    40.00000  120.50800
   70    74    79    60.00000  125.92000
   74    70    71    65.00000  137.10300
   74    79    80    80.00000  123.72100
   74    79    83    65.00000  119.00000
   79    74    75    40.00000  117.72500
   79    83    88    90.00000   96.72000
   83    79    80    80.00000  121.30200
   83    88    89    35.00000  109.50000
   83    88    90    35.00000  109.50000
   83    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   48    39    42    50.00000  109.50000
   48    39    45    50.00000  109.50000
   40    38    39    70.00000  124.00000
   40    50    51    45.00000  110.52000
   40    50    52    45.00000  110.52000
   40    50    57    70.00000  109.06800
   50    40    41    85.00000  112.85300
   50    57    58    80.00000  120.40000
   50    57    67    70.00000  116.00000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    67    68    35.00000  109.50000
   57    67    69    35.00000  109.50000
   57    67    72    75.00000  107.99600
   67    57    58    80.00000  120.40000
   67    72    73    80.00000  120.40000
   67    72    76    70.00000  116.00000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    81    75.00000  107.99600
   76    72    73    80.00000  120.40000
   76    81    82    80.00000  120.40000
   76    81    84    70.00000  116.00000
   78    76    77    33.00000  107.80000
   81    76    77    35.00000  109.50000
   81    76    78    35.00000  109.50000
   81    84    85    35.00000  109.50000
   81    84    86    35.00000  109.50000
   81    84    87    35.00000  109.50000
   84    81    82    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    59    53   0.44750  1.0 1.0
   29    33    59    53  -0.17800 -1.0 2.0
   29    33    59    53   0.20200  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   33    38    39    42   0.46850  1.0 1.0
   33    38    39    42   0.08550 -1.0 2.0
   33    38    39    42   0.09800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    39    48   0.18000  1.0 1.0
   33    38    39    48   0.16450 -1.0 2.0
   33    38    39    48   0.04450  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    50   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    59    53   0.62750  1.0 1.0
   34    33    59    53  -0.30950 -1.0 2.0
   34    33    59    53   0.27300  1.0 3.0
   34    33    59    60   0.23400  1.0 3.0
   34    33    59    61   0.23400  1.0 3.0
   38    33    59    53   0.34400  1.0 1.0
   38    33    59    53   0.09450 -1.0 2.0
   38    33    59    53   0.11100  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    61   0.15000  1.0 3.0
   38    39    42    43   0.15000  1.0 3.0
   38    39    42    44   0.15000  1.0 3.0
   38    39   -42    53   0.34400  1.0 1.0
   38    39   -42    53   0.09450 -1.0 2.0
   38    39   -42    53   0.11100  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39    45    47   0.15000  1.0 3.0
   38    39    45    55  -0.98800  1.0 1.0
   38    39    45    55   0.48800 -1.0 2.0
   38    39    45    55   0.76800  1.0 3.0
   38    39    48    49  -0.07800  1.0 1.0
   38    39    48    49  -0.21500 -1.0 2.0
   38    39    48    49  -0.03150  1.0 3.0
   38    40    50    51   0.00000  1.0 1.0
   38    40    50    52   0.00000  1.0 1.0
   38    40    50    57  -0.51250  1.0 1.0
   38    40    50    57  -0.88800 -1.0 2.0
   38    40    50    57   0.08850  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    50   7.00000 -1.0 2.0
   39    42    53    54   0.15000  1.0 3.0
   39    42    53    59   0.56750  1.0 1.0
   39    42    53    59  -0.07550 -1.0 2.0
   39    42    53    59   0.20000  1.0 3.0
   39    42    53    62   0.86500  1.0 1.0
   39    42    53    62  -0.17500 -1.0 2.0
   39    42    53    62   0.20800  1.0 3.0
   39    45    55    56   0.30150 -1.0 2.0
   39    45    55    64   0.60050  1.0 1.0
   39    45    55    64   0.05600 -1.0 2.0
   39    45    55    64   0.26150  1.0 3.0
   42    39    45    46   0.15000  1.0 3.0
   42    39    45    47   0.15000  1.0 3.0
   42    39    45    55  -0.95700  1.0 1.0
   42    39    45    55  -0.18200 -1.0 2.0
   42    39    45    55   0.29450  1.0 3.0
   42    39    48    49  -0.11600  1.0 1.0
   42    39    48    49  -0.09450 -1.0 2.0
   42    39    48    49   0.21250  1.0 3.0
   42    53   -59    33   0.56750  1.0 1.0
   42    53   -59    33  -0.07550 -1.0 2.0
   42    53   -59    33   0.20000  1.0 3.0
   42    53    59    60   0.15000  1.0 3.0
   42    53    59    61   0.15000  1.0 3.0
   42    53    62    63  -0.11600  1.0 1.0
   42    53    62    63  -0.09450 -1.0 2.0
   42    53    62    63   0.21250  1.0 3.0
   43    42    53    54   0.15000  1.0 3.0
   43    42    53    59   0.15000  1.0 3.0
   43    42    53    62   0.23400  1.0 3.0
   44    42    53    54   0.15000  1.0 3.0
   44    42    53    59   0.15000  1.0 3.0
   44    42    53    62   0.23400  1.0 3.0
   54    53    59    33   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    62    63   0.19450  1.0 3.0
   59    33   -38    39   0.46850  1.0 1.0
   59    33   -38    39   0.08550 -1.0 2.0
   59    33   -38    39   0.09800  1.0 3.0
   59    33    38    40   0.09850  1.0 1.0
   59    33    38    40   0.15250 -1.0 2.0
   59    33    38    40  -0.50650  1.0 3.0
   59    53    62    63  -0.11600  1.0 1.0
   59    53    62    63  -0.09450 -1.0 2.0
   59    53    62    63   0.21250  1.0 3.0
   62    53    59    33   0.86500  1.0 1.0
   62    53    59    33  -0.17500 -1.0 2.0
   62    53    59    33   0.20800  1.0 3.0
   62    53    59    60   0.23400  1.0 3.0
   62    53    59    61   0.23400  1.0 3.0
   45    39    42    43   0.15000  1.0 3.0
   45    39    42    44   0.15000  1.0 3.0
   45    39    42    53   0.56750  1.0 1.0
   45    39    42    53  -0.07550 -1.0 2.0
   45    39    42    53   0.20000  1.0 3.0
   45    39    48    49  -0.11600  1.0 1.0
   45    39    48    49  -0.09450 -1.0 2.0
   45    39    48    49   0.21250  1.0 3.0
   45    55    64    65   0.00000  1.0 1.0
   45    55    64    66   0.00000  1.0 1.0
   45    55    64    70   0.65300  1.0 1.0
   45    55    64    70  -0.03850 -1.0 2.0
   45    55    64    70   0.33900  1.0 3.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    64   0.00000  1.0 1.0
   47    45    55    56   0.00000  1.0 1.0
   47    45    55    64   0.00000  1.0 1.0
   55    64    70    71   0.09700  1.0 1.0
   55    64    70    71   0.15600 -1.0 2.0
   55    64    70    71  -0.50800  1.0 3.0
   55    64    70    74  -0.51250  1.0 1.0
   55    64    70    74  -0.88800 -1.0 2.0
   55    64    70    74   0.08850  1.0 3.0
   56    55    64    65   0.00000  1.0 1.0
   56    55    64    66   0.00000  1.0 1.0
   56    55    64    70   0.30150 -1.0 2.0
   64    70    74    75   7.00000 -1.0 2.0
   64    70    74    79   7.00000 -1.0 2.0
   65    64    70    71   0.00000  1.0 1.0
   65    64    70    74   0.00000  1.0 1.0
   66    64    70    71   0.00000  1.0 1.0
   66    64    70    74   0.00000  1.0 1.0
   70    74    79    80   1.00000 -1.0 2.0
   70    74    79    83   0.50400  1.0 1.0
   70    74    79    83   1.60000 -1.0 2.0
   70    74    79    83  -0.01800  1.0 3.0
   71    70    74    75   7.00000 -1.0 2.0
   71    70    74    79   7.00000 -1.0 2.0
   74    79    83    88  -0.11550  1.0 1.0
   74    79    83    88   1.88700 -1.0 2.0
   75    74    79    80   0.00000  1.0 1.0
   75    74    79    83   0.92800 -1.0 2.0
   79    83    88    89   0.24000  1.0 3.0
   79    83    88    90   0.24000  1.0 3.0
   79    83    88    91   0.24000  1.0 3.0
   80    79    83    88  -0.11550  1.0 1.0
   80    79    83    88   1.88700 -1.0 2.0
   48    39    42    43   0.23400  1.0 3.0
   48    39    42    44   0.23400  1.0 3.0
   48    39    42    53   0.86500  1.0 1.0
   48    39    42    53  -0.17500 -1.0 2.0
   48    39    42    53   0.20800  1.0 3.0
   48    39    45    46   0.23400  1.0 3.0
   48    39    45    47   0.23400  1.0 3.0
   48    39    45    55  -0.09450  1.0 1.0
   48    39    45    55  -1.12950 -1.0 2.0
   48    39    45    55   0.54000  1.0 3.0
   40    38    39    42   0.09850  1.0 1.0
   40    38    39    42   0.15250 -1.0 2.0
   40    38    39    42  -0.50650  1.0 3.0
   40    38    39    45   0.09850  1.0 1.0
   40    38    39    45   0.15250 -1.0 2.0
   40    38    39    45  -0.50650  1.0 3.0
   40    38    39    48   0.67800  1.0 1.0
   40    38    39    48   0.47050 -1.0 2.0
   40    38    39    48  -0.62500  1.0 3.0
   40    50    57    58   0.30150 -1.0 2.0
   40    50    57    67   0.65300  1.0 1.0
   40    50    57    67  -0.03850 -1.0 2.0
   40    50    57    67   0.33900  1.0 3.0
   41    40    50    51   0.00000  1.0 1.0
   41    40    50    52   0.00000  1.0 1.0
   41    40    50    57   0.09700  1.0 1.0
   41    40    50    57   0.15600 -1.0 2.0
   41    40    50    57  -0.50800  1.0 3.0
   50    57    67    68   0.00000  1.0 1.0
   50    57    67    69   0.00000  1.0 1.0
   50    57    67    72   0.65300  1.0 1.0
   50    57    67    72  -0.03850 -1.0 2.0
   50    57    67    72   0.33900  1.0 3.0
   51    50    57    58   0.00000  1.0 1.0
   51    50    57    67   0.00000  1.0 1.0
   52    50    57    58   0.00000  1.0 1.0
   52    50    57    67   0.00000  1.0 1.0
   57    67    72    73   0.30150 -1.0 2.0
   57    67    72    76   0.65300  1.0 1.0
   57    67    72    76  -0.03850 -1.0 2.0
   57    67    72    76   0.33900  1.0 3.0
   58    57    67    68   0.00000  1.0 1.0
   58    57    67    69   0.00000  1.0 1.0
   58    57    67    72   0.30150 -1.0 2.0
   67    72    76    77   0.00000  1.0 1.0
   67    72    76    78   0.00000  1.0 1.0
   67    72    76    81   0.65300  1.0 1.0
   67    72    76    81  -0.03850 -1.0 2.0
   67    72    76    81   0.33900  1.0 3.0
   68    67    72    73   0.00000  1.0 1.0
   68    67    72    76   0.00000  1.0 1.0
   69    67    72    73   0.00000  1.0 1.0
   69    67    72    76   0.00000  1.0 1.0
   72    76    81    82   0.30150 -1.0 2.0
   72    76    81    84   0.65300  1.0 1.0
   72    76    81    84  -0.03850 -1.0 2.0
   72    76    81    84   0.33900  1.0 3.0
   73    72    76    77   0.00000  1.0 1.0
   73    72    76    78   0.00000  1.0 1.0
   73    72    76    81   0.30150 -1.0 2.0
   76    81    84    85   0.00000  1.0 1.0
   76    81    84    86   0.00000  1.0 1.0
   76    81    84    87   0.00000  1.0 1.0
   77    76    81    82   0.00000  1.0 1.0
   77    76    81    84   0.00000  1.0 1.0
   78    76    81    82   0.00000  1.0 1.0
   78    76    81    84   0.00000  1.0 1.0
   82    81    84    85   0.00000  1.0 1.0
   82    81    84    86   0.00000  1.0 1.0
   82    81    84    87   0.00000  1.0 1.0
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    40   1.10000 -1.0 2.0
   45    64    55    56  10.50000 -1.0 2.0
   64    71    70    74  15.00000 -1.0 2.0
   79    75    74    70  15.00000 -1.0 2.0
   74    83    79    80  10.50000 -1.0 2.0
   50    41    40    38   1.10000 -1.0 2.0
   50    67    57    58  10.50000 -1.0 2.0
   67    76    72    73  10.50000 -1.0 2.0
   76    84    81    82  10.50000 -1.0 2.0
END
