* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    166    263     496
    1     0 S   NP   _N1_     1    28.56502   100.14610   -22.86177
    2     1 S   H    _HN1     2     1.02777   108.43408   -99.13723
    3     1 S   H    _H1_     3     1.02957    54.05998     0.53923
    4     1 S   H    _H2_     4     1.02834    55.18653   161.49992
    5     1 S   CT   _CA1     5     1.50155   139.30949    79.96714
    6     5 S   HC   _HA1     6     1.09580   105.16955   119.43186
    7     5 S   CO3  _C1_     7     1.53746   112.34414    -0.65671
    8     7 S   O2Z  _O11     8     1.26368   114.96754   -44.11508
    9     7 S   O2Z  _O12     9     1.26225   114.90367   134.75092
   10     5 S   CT   _CB1    10     1.53072   107.39979  -122.74813
   11    10 S   HC   HB11    11     1.09832   109.21748   -50.85284
   12    10 S   HC   HB12    12     1.09813   110.47833    65.66941
   13    10 S   CT   _CG1    13     1.53039   112.71777  -171.91913
   14    13 S   HC   HG11    14     1.09554   110.45869   -67.47074
   15    13 S   HC   HG12    15     1.09662   109.86956    51.73976
   16    13 S   C    _CD1    16     1.51856   112.16198   172.22459
   17    16 S   O    _OE1    17     1.22783   123.19920     7.57323
   18    16 S   N    _N2_    18     1.38562   111.90558  -172.47556
   19    18 S   H    _HN2    19     1.01564   119.09923     3.24341
   20    18 S   CT1  _CA2    20     1.45802   122.69686   176.52205
   21    20 S   HC   _HA2    21     1.09739   108.88267    27.42347
   22    20 S   C    _C2_    22     1.53014   107.00469   -89.48891
   23    22 S   O    _O2_    23     1.22970   123.13232   -26.23682
   24    20 S   CT   _CB2    32     1.53279   112.33443   150.86416
   25    24 S   HC   HB21    33     1.09414   109.67944    53.16432
   26    24 S   HC   HB22    34     1.09422   109.57708   171.90568
   27    22 S   N    _N3_    24     1.38513   112.49036   156.45154
   28    27 S   H    _HN3    25     1.01652   120.33158    -2.25533
   29    24 S   S    _SG2    35     1.82647   110.88532   -68.73008
   30    27 S   CT   _CA3    26     1.45354   122.54655   178.50041
   31    30 S   HC   HA31    27     1.09565   107.87152   -54.60811
   32    30 S   HC   HA32    28     1.09559   107.56952    61.75434
   33    29 S   CT   _C19    36     1.86876   102.22260   167.22675
   34    30 S   CO3  _C3_    29     1.52901   114.26390  -176.52396
   35    34 S   O2Z  _O31    30     1.26345   116.03754     0.52823
   36    34 S   O2Z  _O32    31     1.26432   114.42386  -179.51705
   37    33 S   CM   _C10    37     1.54504   108.88500   179.57387
   38    33 S   CT   _C18    71     1.54074   112.57178    53.38282
   39    38 S   HC   _H19    72     1.09550   111.93391   -49.07397
   40    38 S   HC   _H20    73     1.10098   109.14925  -163.76252
   41    37 S   CMA  _C9_    38     1.37556   119.63750    91.71565
   42    41 S   OM   _O34    39     1.26869   128.91634   171.23433
   43    37 S   CT   _C11    55     1.60915   116.09044   -87.50396
   44    41 S   CMA  _C8_    40     1.54464   119.20238   -10.33215
   45    44 S   OM   _O35    41     1.27107   113.92185  -150.95588
   46    43 S   CT   _C12    56     1.56445   114.89228  -161.78660
   47    46 S   HC   _H11    57     1.09812   109.31896    52.33022
   48    46 S   HC   _H12    58     1.09628   110.49012   -66.30384
   49    43 S   CT   _C23    82     1.55290   105.14306    81.55570
   50    49 S   HC   _H27    83     1.09078   113.30943   159.72541
   51    49 S   HC   _H28    84     1.09752   110.91376    42.00872
   52    49 S   HC   _H29    85     1.09150   113.19023   -78.90893
   53    44 S   CM   _C7_    42     1.35550   119.23295    28.58340
   54    46 S   CT   _C13    59     1.52885   115.54018   173.39996
   55    54 S   HC   _H13    60     1.09407   111.19670    67.62266
   56    54 S   HC   _H14    61     1.09715   108.68772  -176.50868
   57    33 S   CO4  _C20    43     1.53606   107.15395   -63.16302
   58    57 S   O    _O33    44     1.23257   122.88782   105.93493
   59    53 S   CT   _C5_    45     1.52653   127.74032   177.35640
   60    59 S   HC   _H7_    46     1.09850   108.08204   166.70713
   61    54 S   CT   _C14    62     1.51622   111.81317   -56.31402
   62    61 S   HC   _H15    63     1.09757   109.11790   178.61224
   63    61 S   HC   _H16    64     1.09885   108.02314   -66.57345
   64    59 S   CT   _C4_    47     1.53004   111.30364   -76.41819
   65    64 S   HC   _H4_    48     1.09517   111.83223    66.04269
   66    64 S   HC   _H5_    49     1.09561   111.03052   -54.60599
   67    64 S   HC   _H6_    50     1.09550   110.54683  -174.01273
   68    59 S   CT   _C6_    51     1.53301   114.50040    50.48847
   69    68 S   HC   _H8_    52     1.09418   112.47058   -75.81292
   70    68 S   HC   _H9_    53     1.09604   110.10824   165.11933
   71    68 S   HC   _H10    54     1.09464   111.13966    46.00949
   72    61 S   CT   _C15    65     1.54406   113.53548    54.94811
   73    43 S   CT   _C16    66     1.57909   110.33081   -41.59345
   74    73 S   HC   _H3_    67     1.10365   104.27347   -60.07663
   75    72 S   CT   _C21    74     1.54050   110.39222    75.49381
   76    75 S   HC   _H21    75     1.09465   111.69746  -179.09518
   77    75 S   HC   _H22    76     1.09708   110.58308    62.04096
   78    75 S   HC   _H23    77     1.08902   113.28227   -56.94829
   79    72 S   CT   _C22    78     1.55345   106.08659  -169.77488
   80    79 S   HC   _H24    79     1.09436   112.23721  -170.20042
   81    79 S   HC   _H25    80     1.09572   111.34385    68.52646
   82    79 S   HC   _H26    81     1.09682   110.95811   -51.01881
   83    73 S   CT   _C17    68     1.53492   111.27941    53.39308
   84    83 S   HC   _H17    69     1.09383   111.13930   179.57803
   85    83 S   HC   _H18    70     1.09322   112.48914    60.79091
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  18   2   1   1  23  13   6   5  10   4  21   8   3  16   7   6
   8   3   2   1  12   9   5   4   6   1   9   8  14   5   4   7
   3   2   1   3   2   1   1  13  12   5   8   3   2   1   4   2
   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    57    58    43    83    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    44    53    57    58    59    43    46    73    83    84    85    38    39    40    49  
   35    36  
   36  
    0  
   41    42    44    45    53    57    58    43    46    47    48    54    72    73    74    83    38    39    40    49    50    51    52  
   39    40    41    43    53    57    58    72    73    74    83    84    85  
   40    57    73    83    84    85  
   57    73    83    84    85  
   42    44    45    53    57    59    43    46    73    49  
   44    45    53    43  
   46    47    48    54    55    56    61    72    73    74    83    84    85    75    79    49    50    51    52    44    57  
   45    53    57    58    59    60    64    68  
   53    57    59  
   47    48    54    55    56    61    62    63    72    73    74    83    49    50    51    52  
   48    54    55    56    61    73    49  
   54    55    56    61    73    49  
   50    51    52    54    72    73    74    83  
   51    52    73  
   52    73  
   73  
   57    58    59    60    64    65    66    67    68    69    70    71  
   55    56    61    62    63    72    73    75    79  
   56    61    62    63    72  
   61    62    63    72  
   58    59    60    64    68    83  
   59  
   60    64    65    66    67    68    69    70    71  
   64    65    66    67    68    69    70    71  
   62    63    72    73    74    83    75    76    77    78    79    80    81    82  
   63    72    73    75    79  
   72    73    75    79  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    83    84    85    75    76    77    78    79    80    81    82  
   74    83    84    85    75    76    77    78    79    80    81    82  
   83    84    85    75    79  
   76    77    78    79    80    81    82    83  
   77    78    79  
   78    79  
   79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   317.000  1.522
   33    38   268.000  1.529
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    44   465.000  1.376
   44    45   745.000  1.250
   44    53   465.000  1.376
   53    57   320.000  1.462
   53    59   317.000  1.510
   57    58   570.000  1.229
   59    60   340.000  1.090
   59    64   268.000  1.529
   59    68   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   43    46   268.000  1.529
   43    73   268.000  1.529
   43    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    72   268.000  1.529
   72    73   268.000  1.529
   72    75   268.000  1.529
   72    79   268.000  1.529
   73    74   340.000  1.090
   73    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    38   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    57    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    57    53    65.00000  118.62400
   33    57    58    80.00000  120.40000
   33    38    83    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   37    41    42    65.00000  137.10300
   37    41    44    70.00000  117.34000
   37    43    46    70.00000  112.02700
   37    43    73    70.00000  112.02700
   37    43    49    70.00000  112.02700
   41    44    45    65.00000  137.10300
   41    44    53    70.00000  117.34000
   44    41    42    65.00000  137.10300
   44    53    57    60.00000  125.92000
   44    53    59    70.00000  124.00000
   53    44    45    65.00000  137.10300
   53    57    58    80.00000  123.72100
   53    59    60    35.00000  109.50000
   53    59    64    70.00000  112.02700
   53    59    68    70.00000  112.02700
   57    33    37    70.00000  109.06800
   59    53    57    65.00000  116.34900
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    37.50000  110.70000
   59    68    69    37.50000  110.70000
   59    68    70    37.50000  110.70000
   59    68    71    37.50000  110.70000
   64    59    60    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    59    60    37.50000  110.70000
   68    59    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   43    37    41    70.00000  124.00000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    54    58.35000  112.70000
   43    73    72    58.35000  112.70000
   43    73    74    37.50000  110.70000
   43    73    83    58.35000  112.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    61    58.35000  112.70000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    72    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    72    73    58.35000  112.70000
   61    72    75    58.35000  112.70000
   61    72    79    58.35000  112.70000
   63    61    62    33.00000  107.80000
   72    61    62    37.50000  110.70000
   72    61    63    37.50000  110.70000
   72    73    74    37.50000  110.70000
   72    73    83    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   73    43    46    58.35000  112.70000
   73    83    84    37.50000  110.70000
   73    83    85    37.50000  110.70000
   73    83    38    58.35000  112.70000
   83    73    74    37.50000  110.70000
   83    38    39    37.50000  110.70000
   83    38    40    37.50000  110.70000
   85    83    84    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    57    63.00000  111.10000
   38    83    84    37.50000  110.70000
   38    83    85    37.50000  110.70000
   40    38    39    33.00000  107.80000
   75    72    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    72    73    58.35000  112.70000
   79    72    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   49    43    46    58.35000  112.70000
   49    43    73    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    57    53   0.65300  1.0 1.0
   29    33    57    53  -0.03850 -1.0 2.0
   29    33    57    53   0.33900  1.0 3.0
   29    33    57    58   0.30150 -1.0 2.0
   29    33    38    83   0.44750  1.0 1.0
   29    33    38    83  -0.17800 -1.0 2.0
   29    33    38    83   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    37    43    46   0.46850  1.0 1.0
   33    37    43    46   0.08550 -1.0 2.0
   33    37    43    46   0.09800  1.0 3.0
   33    37    43    73   0.46850  1.0 1.0
   33    37    43    73   0.08550 -1.0 2.0
   33    37    43    73   0.09800  1.0 3.0
   33    37    43    49   0.46850  1.0 1.0
   33    37    43    49   0.08550 -1.0 2.0
   33    37    43    49   0.09800  1.0 3.0
   37    33    57    53   0.65300  1.0 1.0
   37    33    57    53  -0.03850 -1.0 2.0
   37    33    57    53   0.33900  1.0 3.0
   37    33    57    58   0.30150 -1.0 2.0
   37    33    38    83   0.34400  1.0 1.0
   37    33    38    83   0.09450 -1.0 2.0
   37    33    38    83   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    41    44    45   7.00000 -1.0 2.0
   37    41   -44    53   7.00000 -1.0 2.0
   37    43    46    47   0.15000  1.0 3.0
   37    43    46    48   0.15000  1.0 3.0
   37    43    46    54   0.34400  1.0 1.0
   37    43    46    54   0.09450 -1.0 2.0
   37    43    46    54   0.11100  1.0 3.0
   37    43    73    72   0.34400  1.0 1.0
   37    43    73    72   0.09450 -1.0 2.0
   37    43    73    72   0.11100  1.0 3.0
   37    43    73    74   0.15000  1.0 3.0
   37    43   -73    83   0.34400  1.0 1.0
   37    43   -73    83   0.09450 -1.0 2.0
   37    43   -73    83   0.11100  1.0 3.0
   37    43    49    50   0.15000  1.0 3.0
   37    43    49    51   0.15000  1.0 3.0
   37    43    49    52   0.15000  1.0 3.0
   41    37    43    46   0.09850  1.0 1.0
   41    37    43    46   0.15250 -1.0 2.0
   41    37    43    46  -0.50650  1.0 3.0
   41    37    43    73   0.09850  1.0 1.0
   41    37    43    73   0.15250 -1.0 2.0
   41    37    43    73  -0.50650  1.0 3.0
   41    37    43    49   0.09850  1.0 1.0
   41    37    43    49   0.15250 -1.0 2.0
   41    37    43    49  -0.50650  1.0 3.0
   41    44    53    57   7.00000 -1.0 2.0
   41    44    53    59   7.00000 -1.0 2.0
   42    41    44    45   7.00000 -1.0 2.0
   42    41    44    53   7.00000 -1.0 2.0
   44    53   -57    33  -0.33500  1.0 1.0
   44    53   -57    33   1.06600 -1.0 2.0
   44    53   -57    33  -0.14000  1.0 3.0
   44    53    57    58   1.00000 -1.0 2.0
   44    53    59    60   0.00000  1.0 1.0
   44    53    59    64   0.09850  1.0 1.0
   44    53    59    64   0.15250 -1.0 2.0
   44    53    59    64  -0.50650  1.0 3.0
   44    53    59    68   0.09850  1.0 1.0
   44    53    59    68   0.15250 -1.0 2.0
   44    53    59    68  -0.50650  1.0 3.0
   45    44    53    57   7.00000 -1.0 2.0
   45    44    53    59   7.00000 -1.0 2.0
   53    59    64    65   0.15000  1.0 3.0
   53    59    64    66   0.15000  1.0 3.0
   53    59    64    67   0.15000  1.0 3.0
   53    59    68    69   0.15000  1.0 3.0
   53    59    68    70   0.15000  1.0 3.0
   53    59    68    71   0.15000  1.0 3.0
   57    33   -37    41  -0.51250  1.0 1.0
   57    33   -37    41  -0.88800 -1.0 2.0
   57    33   -37    41   0.08850  1.0 3.0
   57    33    37    43   0.17250  1.0 1.0
   57    33    37    43  -0.04100 -1.0 2.0
   57    33    37    43  -0.33850  1.0 3.0
   57    33    38    83  -0.95700  1.0 1.0
   57    33    38    83  -0.18200 -1.0 2.0
   57    33    38    83   0.29450  1.0 3.0
   57    33    38    39  -0.11250  1.0 3.0
   57    33    38    40  -0.11250  1.0 3.0
   57    53    59    60   0.15000  1.0 3.0
   57    53    59    64   0.09700  1.0 1.0
   57    53    59    64   0.15600 -1.0 2.0
   57    53    59    64  -0.50800  1.0 3.0
   57    53    59    68   0.09700  1.0 1.0
   57    53    59    68   0.15600 -1.0 2.0
   57    53    59    68  -0.50800  1.0 3.0
   59    53    57    33   0.25700  1.0 1.0
   59    53    57    33   0.66200 -1.0 2.0
   59    53    57    33   0.04450  1.0 3.0
   59    53    57    58  -0.64400  1.0 1.0
   59    53    57    58   0.26850 -1.0 2.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    67   0.15000  1.0 3.0
   60    59    68    69   0.15000  1.0 3.0
   60    59    68    70   0.15000  1.0 3.0
   60    59    68    71   0.15000  1.0 3.0
   64    59    68    69   0.15000  1.0 3.0
   64    59    68    70   0.15000  1.0 3.0
   64    59    68    71   0.15000  1.0 3.0
   68    59    64    65   0.15000  1.0 3.0
   68    59    64    66   0.15000  1.0 3.0
   68    59    64    67   0.15000  1.0 3.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    44   7.00000 -1.0 2.0
   43    46    54    55   0.15000  1.0 3.0
   43    46    54    56   0.15000  1.0 3.0
   43    46    54    61   0.56750  1.0 1.0
   43    46    54    61  -0.07550 -1.0 2.0
   43    46    54    61   0.20000  1.0 3.0
   43    73    83    84   0.15000  1.0 3.0
   43    73    83    85   0.15000  1.0 3.0
   43    73    83    38   0.56750  1.0 1.0
   43    73    83    38  -0.07550 -1.0 2.0
   43    73    83    38   0.20000  1.0 3.0
   46    43    73    72   0.56750  1.0 1.0
   46    43    73    72  -0.07550 -1.0 2.0
   46    43    73    72   0.20000  1.0 3.0
   46    43    73    74   0.15000  1.0 3.0
   46    43    73    83   0.56750  1.0 1.0
   46    43    73    83  -0.07550 -1.0 2.0
   46    43    73    83   0.20000  1.0 3.0
   46    43    49    50   0.15000  1.0 3.0
   46    43    49    51   0.15000  1.0 3.0
   46    43    49    52   0.15000  1.0 3.0
   46    54    61    62   0.15000  1.0 3.0
   46    54    61    63   0.15000  1.0 3.0
   46    54   -61    72   0.56750  1.0 1.0
   46    54   -61    72  -0.07550 -1.0 2.0
   46    54   -61    72   0.20000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    61   0.15000  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    56   0.15000  1.0 3.0
   48    46    54    61   0.15000  1.0 3.0
   54    61    72    73   0.56750  1.0 1.0
   54    61    72    73  -0.07550 -1.0 2.0
   54    61    72    73   0.20000  1.0 3.0
   54    61    72    75   0.56750  1.0 1.0
   54    61    72    75  -0.07550 -1.0 2.0
   54    61    72    75   0.20000  1.0 3.0
   54    61    72    79   0.56750  1.0 1.0
   54    61    72    79  -0.07550 -1.0 2.0
   54    61    72    79   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    72   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    72   0.15000  1.0 3.0
   61    72   -73    43   0.56750  1.0 1.0
   61    72   -73    43  -0.07550 -1.0 2.0
   61    72   -73    43   0.20000  1.0 3.0
   61    72    73    74   0.15000  1.0 3.0
   61    72    73    83   0.56750  1.0 1.0
   61    72    73    83  -0.07550 -1.0 2.0
   61    72    73    83   0.20000  1.0 3.0
   61    72    75    76   0.15000  1.0 3.0
   61    72    75    77   0.15000  1.0 3.0
   61    72    75    78   0.15000  1.0 3.0
   61    72    79    80   0.15000  1.0 3.0
   61    72    79    81   0.15000  1.0 3.0
   61    72    79    82   0.15000  1.0 3.0
   62    61    72    73   0.15000  1.0 3.0
   62    61    72    75   0.15000  1.0 3.0
   62    61    72    79   0.15000  1.0 3.0
   63    61    72    73   0.15000  1.0 3.0
   63    61    72    75   0.15000  1.0 3.0
   63    61    72    79   0.15000  1.0 3.0
   72    73    83    84   0.15000  1.0 3.0
   72    73    83    85   0.15000  1.0 3.0
   72    73    83    38   0.56750  1.0 1.0
   72    73    83    38  -0.07550 -1.0 2.0
   72    73    83    38   0.20000  1.0 3.0
   73    43    46    47   0.15000  1.0 3.0
   73    43    46    48   0.15000  1.0 3.0
   73    43   -46    54   0.56750  1.0 1.0
   73    43   -46    54  -0.07550 -1.0 2.0
   73    43   -46    54   0.20000  1.0 3.0
   73    43    49    50   0.15000  1.0 3.0
   73    43    49    51   0.15000  1.0 3.0
   73    43    49    52   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    81   0.15000  1.0 3.0
   73    72    79    82   0.15000  1.0 3.0
   73    83   -38    33   0.56750  1.0 1.0
   73    83   -38    33  -0.07550 -1.0 2.0
   73    83   -38    33   0.20000  1.0 3.0
   73    83    38    39   0.15000  1.0 3.0
   73    83    38    40   0.15000  1.0 3.0
   74    73    83    84   0.15000  1.0 3.0
   74    73    83    85   0.15000  1.0 3.0
   74    73    83    38   0.15000  1.0 3.0
   84    83    38    33   0.15000  1.0 3.0
   84    83    38    39   0.15000  1.0 3.0
   84    83    38    40   0.15000  1.0 3.0
   85    83    38    33   0.15000  1.0 3.0
   85    83    38    39   0.15000  1.0 3.0
   85    83    38    40   0.15000  1.0 3.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33   -37    43   0.46850  1.0 1.0
   38    33   -37    43   0.08550 -1.0 2.0
   38    33   -37    43   0.09800  1.0 3.0
   38    33    57    53   0.65300  1.0 1.0
   38    33    57    53  -0.03850 -1.0 2.0
   38    33    57    53   0.33900  1.0 3.0
   38    33    57    58   0.30150 -1.0 2.0
   75    72    73    43   0.56750  1.0 1.0
   75    72    73    43  -0.07550 -1.0 2.0
   75    72    73    43   0.20000  1.0 3.0
   75    72    73    74   0.15000  1.0 3.0
   75    72    73    83   0.56750  1.0 1.0
   75    72    73    83  -0.07550 -1.0 2.0
   75    72    73    83   0.20000  1.0 3.0
   75    72    79    80   0.15000  1.0 3.0
   75    72    79    81   0.15000  1.0 3.0
   75    72    79    82   0.15000  1.0 3.0
   79    72    73    43   0.56750  1.0 1.0
   79    72    73    43  -0.07550 -1.0 2.0
   79    72    73    43   0.20000  1.0 3.0
   79    72    73    74   0.15000  1.0 3.0
   79    72    73    83   0.56750  1.0 1.0
   79    72    73    83  -0.07550 -1.0 2.0
   79    72    73    83   0.20000  1.0 3.0
   79    72    75    76   0.15000  1.0 3.0
   79    72    75    77   0.15000  1.0 3.0
   79    72    75    78   0.15000  1.0 3.0
   49    43    46    47   0.15000  1.0 3.0
   49    43    46    48   0.15000  1.0 3.0
   49    43    46    54   0.56750  1.0 1.0
   49    43    46    54  -0.07550 -1.0 2.0
   49    43    46    54   0.20000  1.0 3.0
   49    43    73    72   0.56750  1.0 1.0
   49    43    73    72  -0.07550 -1.0 2.0
   49    43    73    72   0.20000  1.0 3.0
   49    43    73    74   0.15000  1.0 3.0
   49    43    73    83   0.56750  1.0 1.0
   49    43    73    83  -0.07550 -1.0 2.0
   49    43    73    83   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    41   1.10000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   41    45    44    53   1.10000 -1.0 2.0
   57    59    53    44   1.10000 -1.0 2.0
   33    53    57    58  10.50000 -1.0 2.0
END
