* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    154    235     448
    1     0 S   NP   _N1_     1    28.64925    96.32305   -21.83275
    2     1 S   H    _HN1     2     1.02779    93.80192   -78.94652
    3     1 S   H    _H1_     3     1.02960    75.72111    28.99810
    4     1 S   H    _H2_     4     1.02835    41.01991   167.89514
    5     1 S   CT   _CA1     5     1.50123   148.39077   134.78028
    6     5 S   HC   _HA1     6     1.09575   105.22704    81.66785
    7     5 S   CO3  _C1_     7     1.53776   112.40947   -38.53037
    8     7 S   O2Z  _O11     8     1.26358   115.00628   -43.49710
    9     7 S   O2Z  _O12     9     1.26241   114.91908   135.67576
   10     5 S   CT   _CB1    10     1.53086   107.41748  -160.43732
   11    10 S   HC   HB11    11     1.09826   109.29331   -50.94006
   12    10 S   HC   HB12    12     1.09819   110.42015    65.58907
   13    10 S   CT   _CG1    13     1.53017   112.70957  -172.05693
   14    13 S   HC   HG11    14     1.09594   110.44911   -64.32891
   15    13 S   HC   HG12    15     1.09654   109.97862    54.90728
   16    13 S   C    _CD1    16     1.51820   112.29788   175.22316
   17    16 S   O    _OE1    17     1.22709   123.21886    -1.77056
   18    16 S   N    _N2_    18     1.38624   111.65190   178.53540
   19    18 S   H    _HN2    19     1.01572   119.01436     1.38253
   20    18 S   CT1  _CA2    20     1.46146   123.39383   179.56749
   21    20 S   HC   _HA2    21     1.09756   109.42281    -4.44307
   22    20 S   C    _C2_    22     1.53397   108.45843  -119.81231
   23    22 S   O    _O2_    23     1.23015   122.34145  -143.65615
   24    20 S   CT   _CB2    32     1.53288   111.55853   117.55442
   25    24 S   HC   HB21    33     1.09549   110.74663    53.63542
   26    24 S   HC   HB22    34     1.09445   109.60057   172.70809
   27    22 S   N    _N3_    24     1.38503   113.37303    43.69016
   28    27 S   H    _HN3    25     1.01494   118.96250     0.13270
   29    24 S   S    _SG2    35     1.82676   111.40722   -67.57957
   30    27 S   CT   _CA3    26     1.45419   123.26356   175.14958
   31    30 S   HC   HA31    27     1.09539   108.95667    28.32537
   32    30 S   HC   HA32    28     1.09485   107.10355   145.33711
   33    29 S   CT   _C5_    36     1.83920    99.38701  -167.38035
   34    33 S   HC   _H3_    37     1.09429   107.68158    26.09395
   35    30 S   CO3  _C3_    29     1.52972   113.72758   -94.86315
   36    35 S   O2Z  _O31    30     1.26346   115.77719   -33.17596
   37    35 S   O2Z  _O32    31     1.26401   114.68293   147.89082
   38    33 S   CM   _C6_    38     1.53357   108.81948   145.14171
   39    33 S   CT   _C4_    80     1.52944   109.86078   -88.89043
   40    39 S   HC   _H7_    81     1.09568   112.58653   -57.00360
   41    39 S   HC   _H8_    82     1.09593   110.48429  -177.53351
   42    39 S   HC   _H9_    83     1.09595   110.97319    63.72263
   43    38 S   CMA  _C7_    39     1.36874   122.69174  -100.33599
   44    43 S   OM   _O33    40     1.26882   125.50451  -178.10690
   45    38 S   CT   _C23    76     1.51969   115.27969    79.82743
   46    45 S   HC   _H21    77     1.09465   110.78198   -50.68818
   47    45 S   HC   _H22    78     1.09421   113.45944  -170.27563
   48    45 S   HC   _H23    79     1.09478   110.24402    69.48437
   49    43 S   OS   _O34    41     1.41590   111.70885     0.02798
   50    49 S   CT   _C8_    42     1.44922   117.00766   136.86370
   51    50 S   HC   _H4_    43     1.09737   110.85519    37.33716
   52    50 S   CT   _C9_    44     1.55356   106.85463   -81.14050
   53    52 S   HC   _H10    45     1.09694   107.40108   -49.16420
   54    52 S   HC   _H11    46     1.09875   109.00990    61.65362
   55    50 S   CT   _C17    58     1.56208   106.66454   153.48474
   56    55 S   HC   _H6_    59     1.09497   108.89528  -168.19996
   57    52 S   CT   _C10    47     1.54107   118.75686  -173.65542
   58    55 S   CM   _C18    60     1.49468   113.15103   -49.85054
   59    57 S   CO4  _C11    48     1.51499   110.39249   149.32828
   60    59 S   O    _O35    49     1.22069   126.18668    84.00586
   61    58 S   CO4  _C20    61     1.47007   110.25690   115.09775
   62    61 S   O    _O37    62     1.21809   126.90171  -175.92340
   63    58 S   CM   _C19    64     1.33643   127.89037   -65.52311
   64    63 S   HC   _H14    65     1.08498   120.72104     0.55107
   65    63 S   HC   _H15    66     1.08485   121.82750  -179.83687
   66    57 S   CT   _C22    72     1.51714   113.62402   -82.34171
   67    66 S   HC   _H18    73     1.09532   110.86852    61.95049
   68    66 S   HC   _H19    74     1.09476   111.56434   -59.37846
   69    66 S   HC   _H20    75     1.09615   110.94890  -179.67016
   70    59 S   CM   _C12    50     1.46467   110.04572   -92.14748
   71    70 S   HC   _H12    51     1.07359   127.54529   160.00498
   72    82 S   OS   _O38    63     1.44638   107.92896   170.25204
   73    70 S   CM   _C13    52     1.33054   100.36135   -10.54882
   74    73 S   CM   _C14    53     1.44858   128.17892   165.76931
   75    57 S   OS   _O36    71     1.43087   110.25911    40.55379
   76    74 S   CM   _C15    54     1.35509   119.99594  -111.65449
   77    76 S   HC   _H13    55     1.08879   117.76653   179.69545
   78    74 S   CT   _C21    67     1.52958   117.96527    65.97843
   79    78 S   OM   _O39    68     1.32494   107.05300    80.93277
   80    78 S   HC   _H16    69     1.10252   106.02657   -46.81345
   81    78 S   HC   _H17    70     1.10300   106.16434  -152.28061
   82    76 S   CT   _C16    56     1.51930   126.33213     2.58793
   83    82 S   HC   _H5_    57     1.09398   108.15170    57.12916
  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
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  17   8  16   6   5  14   7  11   9  10   5   8   3   4   1
   1   6   3   2   1   6   3   5   9   9   2   7   3   4   2   1
   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    55    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    57    82    55    56    58  
   51    52    53    54    57    59    76    82    83    55    56    58    61    72    63    75    66  
   52    53    54    57    82    55    56    58  
   53    54    57    59    60    70    73    82    55    56    58    75    66    67    68    69  
   54    57    59    55    75    66  
   57    59    55    75    66  
   56    58    61    62    72    63    64    65    57    74    76    77    82    83  
   58    61    72    63    76    82    83  
   59    60    70    71    73    74    75    66    67    68    69  
   61    62    72    63    64    65    76    82    83  
   60    70    71    73    74    75    66    67    68    69  
   70    71    73    75    66  
   62    72    63    64    65    76    82    83  
   72    63    82  
   64    65    72    82  
   65  
    0  
   67    68    69    70    73    75  
   68    69    75  
   69    75  
   75  
   71    73    74    76    78    75  
   73    74    75  
   74    76    77    82    83  
   74    76    77    82    78    79    80    81    75  
   76    77    82    83    78    79    80    81    75  
   76    78  
   77    82    83    78    79    80    81  
   82    83    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   80   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    59   317.000  1.522
   57    75   320.000  1.410
   57    66   268.000  1.529
   59    60   570.000  1.229
   59    70   320.000  1.462
   70    71   340.000  1.080
   70    73   549.000  1.340
   73    74   380.000  1.444
   73    75   440.000  1.360
   74    76   549.000  1.340
   74    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    55   268.000  1.529
   82    72   320.000  1.410
   55    56   340.000  1.090
   55    58   317.000  1.510
   58    61   320.000  1.462
   58    63   549.000  1.340
   61    62   570.000  1.229
   61    72   214.000  1.327
   63    64   340.000  1.080
   63    65   340.000  1.080
   78    79   570.000  1.307
   78    80   340.000  1.090
   78    81   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    57    58.35000  112.70000
   50    55    82    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    58    70.00000  112.02700
   52    50    51    37.50000  110.70000
   52    57    59    63.00000  111.10000
   52    57    75    50.00000  109.50000
   52    57    66    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    59    60    80.00000  120.40000
   57    59    70    65.00000  118.62400
   57    75    73    90.00000  111.18400
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    69    37.50000  110.70000
   59    70    71    40.00000  117.72500
   59    70    73    65.00000  118.96000
   70    59    60    80.00000  123.72100
   70    73    74    70.00000  123.01800
   70    73    75    80.00000  120.01400
   73    70    71    35.00000  120.00000
   73    74    76    70.00000  123.01800
   73    74    78    70.00000  124.00000
   74    76    77    35.00000  120.00000
   74    76    82    70.00000  124.00000
   74    78    79    85.00000  110.90400
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    55    70.00000  112.02700
   76    82    72    85.00000  110.90400
   82    76    77    35.00000  117.00000
   82    55    56    37.50000  110.70000
   82    55    58    70.00000  112.02700
   82    72    61    83.00000  116.90000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    82    83    37.50000  110.70000
   55    58    61    65.00000  116.34900
   55    58    63    70.00000  124.00000
   58    55    56    35.00000  109.50000
   58    61    62    80.00000  123.72100
   58    61    72    90.00000  111.29400
   58    63    64    35.00000  120.00000
   58    63    65    35.00000  120.00000
   72    82    83    35.00000  109.50000
   72    82    55    50.00000  109.50000
   72    61    62    83.00000  123.40000
   63    58    61    65.00000  118.96000
   65    63    64    35.00000  117.00000
   78    74    76    70.00000  124.00000
   80    78    79    45.00000  125.66300
   81    78    79    45.00000  125.66300
   81    78    80    33.00000  107.80000
   75    57    59    90.00000  108.74100
   75    73    74    80.00000  120.01400
   66    57    59    63.00000  111.10000
   66    57    75    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    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    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    55  -0.46850  1.0 1.0
   43    49    50    55   0.09300 -1.0 2.0
   43    49    50    55  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    57   0.62750  1.0 1.0
   49    50    52    57  -0.30950 -1.0 2.0
   49    50    52    57   0.27300  1.0 3.0
   49    50    55    82   0.62750  1.0 1.0
   49    50    55    82  -0.30950 -1.0 2.0
   49    50    55    82   0.27300  1.0 3.0
   49    50    55    56   0.23400  1.0 3.0
   49    50    55    58   0.61850  1.0 1.0
   49    50    55    58  -0.22750 -1.0 2.0
   49    50    55    58   0.15300  1.0 3.0
   50    52    57    59  -0.95700  1.0 1.0
   50    52    57    59  -0.18200 -1.0 2.0
   50    52    57    59   0.29450  1.0 3.0
   50    52    57    75   0.62750  1.0 1.0
   50    52    57    75  -0.30950 -1.0 2.0
   50    52    57    75   0.27300  1.0 3.0
   50    52    57    66   0.56750  1.0 1.0
   50    52    57    66  -0.07550 -1.0 2.0
   50    52    57    66   0.20000  1.0 3.0
   50    55    58    61   0.09700  1.0 1.0
   50    55    58    61   0.15600 -1.0 2.0
   50    55    58    61  -0.50800  1.0 3.0
   50    55    58    63   0.09850  1.0 1.0
   50    55    58    63   0.15250 -1.0 2.0
   50    55    58    63  -0.50650  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    55    82   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    58   0.15000  1.0 3.0
   52    50    55    82   0.56750  1.0 1.0
   52    50    55    82  -0.07550 -1.0 2.0
   52    50    55    82   0.20000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    58   0.34400  1.0 1.0
   52    50    55    58   0.09450 -1.0 2.0
   52    50    55    58   0.11100  1.0 3.0
   52    57    59    60   0.30150 -1.0 2.0
   52    57    59    70   0.65300  1.0 1.0
   52    57    59    70  -0.03850 -1.0 2.0
   52    57    59    70   0.33900  1.0 3.0
   52    57    75    73  -0.46850  1.0 1.0
   52    57    75    73   0.09300 -1.0 2.0
   52    57    75    73  -0.12850  1.0 3.0
   52    57    66    67   0.15000  1.0 3.0
   52    57    66    68   0.15000  1.0 3.0
   52    57    66    69   0.15000  1.0 3.0
   53    52    57    59  -0.11250  1.0 3.0
   53    52    57    75   0.23400  1.0 3.0
   53    52    57    66   0.15000  1.0 3.0
   54    52    57    59  -0.11250  1.0 3.0
   54    52    57    75   0.23400  1.0 3.0
   54    52    57    66   0.15000  1.0 3.0
   57    59    70    71   0.04550  1.0 1.0
   57    59    70    71   0.83000 -1.0 2.0
   57    59    70    71  -0.04000  1.0 3.0
   57    59   -70    73  -0.33500  1.0 1.0
   57    59   -70    73   1.06600 -1.0 2.0
   57    59   -70    73  -0.14000  1.0 3.0
   59    57   -75    73  -0.48150  1.0 1.0
   59    57   -75    73   0.09250 -1.0 2.0
   59    57   -75    73  -0.12850  1.0 3.0
   59    57    66    67  -0.11250  1.0 3.0
   59    57    66    68  -0.11250  1.0 3.0
   59    57    66    69  -0.11250  1.0 3.0
   59    70    73    74   7.00000 -1.0 2.0
   59    70   -73    75   7.00000 -1.0 2.0
   60    59    70    71   0.00000  1.0 1.0
   60    59    70    73   1.00000 -1.0 2.0
   70    73    74    76   0.28850  1.0 1.0
   70    73    74    76   2.61350 -1.0 2.0
   70    73    74    76   0.78400  1.0 3.0
   70    73    74    78  -0.18600  1.0 3.0
   70    73   -75    57  -2.26850  1.0 1.0
   70    73   -75    57   3.39050 -1.0 2.0
   71    70    73    74   7.00000 -1.0 2.0
   71    70    73    75   7.00000 -1.0 2.0
   73    74    76    77   7.00000 -1.0 2.0
   73    74    76    82   7.00000 -1.0 2.0
   73    74    78    79   0.39000  1.0 1.0
   73    74    78    79  -0.05800 -1.0 2.0
   73    74    78    79  -0.55150  1.0 3.0
   73    74    78    80   0.00000  1.0 1.0
   73    74    78    81   0.00000  1.0 1.0
   74    73    75    57  -2.26850  1.0 1.0
   74    73    75    57   3.39050 -1.0 2.0
   74    76    82    83   0.00000  1.0 1.0
   74    76    82    55   0.09850  1.0 1.0
   74    76    82    55   0.15250 -1.0 2.0
   74    76    82    55  -0.50650  1.0 3.0
   74    76    82    72   0.39000  1.0 1.0
   74    76    82    72  -0.05800 -1.0 2.0
   74    76    82    72  -0.55150  1.0 3.0
   76    74    78    79   0.39000  1.0 1.0
   76    74    78    79  -0.05800 -1.0 2.0
   76    74    78    79  -0.55150  1.0 3.0
   76    74    78    80   0.00000  1.0 1.0
   76    74    78    81   0.00000  1.0 1.0
   76    82    55    50   0.34400  1.0 1.0
   76    82    55    50   0.09450 -1.0 2.0
   76    82    55    50   0.11100  1.0 3.0
   76    82    55    56   0.15000  1.0 3.0
   76    82    55    58   0.31000  1.0 1.0
   76    82    55    58   0.14700 -1.0 2.0
   76    82    55    58   0.07550  1.0 3.0
   76    82    72    61  -0.82050  1.0 1.0
   76    82    72    61   0.00600 -1.0 2.0
   76    82    72    61   0.04400  1.0 3.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    55   0.00000  1.0 1.0
   77    76    82    72   0.00000  1.0 1.0
   82    55   -58    61   0.09700  1.0 1.0
   82    55   -58    61   0.15600 -1.0 2.0
   82    55   -58    61  -0.50800  1.0 3.0
   82    55    58    63   0.09850  1.0 1.0
   82    55    58    63   0.15250 -1.0 2.0
   82    55    58    63  -0.50650  1.0 3.0
   83    82    55    50   0.15000  1.0 3.0
   83    82    55    56   0.15000  1.0 3.0
   83    82    55    58   0.15000  1.0 3.0
   83    82    72    61   0.08050  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    57   0.56750  1.0 1.0
   55    50    52    57  -0.07550 -1.0 2.0
   55    50    52    57   0.20000  1.0 3.0
   55    82   -72    61  -0.25900  1.0 1.0
   55    82   -72    61  -0.47000 -1.0 2.0
   55    82   -72    61   0.11750  1.0 3.0
   55    58    61    62  -0.64400  1.0 1.0
   55    58    61    62   0.26850 -1.0 2.0
   55    58   -61    72  -0.15000  1.0 1.0
   55    58   -61    72   0.89550 -1.0 2.0
   55    58   -61    72  -0.06900  1.0 3.0
   55    58    63    64   7.00000 -1.0 2.0
   55    58    63    65   7.00000 -1.0 2.0
   56    55    58    61   0.15000  1.0 3.0
   56    55    58    63   0.00000  1.0 1.0
   58    61   -72    82   2.00000 -1.0 2.0
   61    58    63    64   7.00000 -1.0 2.0
   61    58    63    65   7.00000 -1.0 2.0
   62    61    72    82   3.00000 -1.0 2.0
   72    82    55    50   0.62750  1.0 1.0
   72    82    55    50  -0.30950 -1.0 2.0
   72    82    55    50   0.27300  1.0 3.0
   72    82    55    56   0.23400  1.0 3.0
   72    82   -55    58   0.61850  1.0 1.0
   72    82   -55    58  -0.22750 -1.0 2.0
   72    82   -55    58   0.15300  1.0 3.0
   63    58    61    62   1.00000 -1.0 2.0
   63    58    61    72  -0.56150  1.0 1.0
   63    58    61    72   2.19150 -1.0 2.0
   78    74    76    77   7.00000 -1.0 2.0
   78    74    76    82   7.00000 -1.0 2.0
   75    57    59    60   0.30150 -1.0 2.0
   75    57   -59    70   0.65300  1.0 1.0
   75    57   -59    70  -0.03850 -1.0 2.0
   75    57   -59    70   0.33900  1.0 3.0
   75    57    66    67   0.23400  1.0 3.0
   75    57    66    68   0.23400  1.0 3.0
   75    57    66    69   0.23400  1.0 3.0
   75    73    74    76  -0.51250  1.0 1.0
   75    73    74    76   1.23350 -1.0 2.0
   75    73    74    78   1.08500 -1.0 2.0
   66    57    59    60   0.30150 -1.0 2.0
   66    57    59    70   0.65300  1.0 1.0
   66    57    59    70  -0.03850 -1.0 2.0
   66    57    59    70   0.33900  1.0 3.0
   66    57    75    73  -0.46850  1.0 1.0
   66    57    75    73   0.09300 -1.0 2.0
   66    57    75    73  -0.12850  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   57    70    59    60  10.50000 -1.0 2.0
   59    71    70    73   1.10000 -1.0 2.0
   74    75    73    70   1.10000 -1.0 2.0
   73    78    74    76   1.10000 -1.0 2.0
   82    77    76    74   1.10000 -1.0 2.0
   55    61    58    63   1.10000 -1.0 2.0
   58    72    61    62  10.50000 -1.0 2.0
   64    65    63    58   1.10000 -1.0 2.0
END
