* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    155    238     455
    1     0 S   NP   _N1_     1    28.90548    93.75381   -19.86569
    2     1 S   H    _HN1     2     1.02768    89.30004   -56.28513
    3     1 S   H    _H1_     3     1.02970    99.75975    52.22990
    4     1 S   H    _H2_     4     1.02819    24.16193   162.18082
    5     1 S   CT   _CA1     5     1.50206   133.75502  -177.18325
    6     5 S   HC   _HA1     6     1.09596   105.08033    50.10632
    7     5 S   CO3  _C1_     7     1.53725   112.56172   -69.49204
    8     7 S   O2Z  _O11     8     1.26334   115.06793   -37.83236
    9     7 S   O2Z  _O12     9     1.26264   114.91777   141.09906
   10     5 S   CT   _CB1    10     1.53102   107.28003   167.59137
   11    10 S   HC   HB11    11     1.09790   108.75366   -52.84247
   12    10 S   HC   HB12    12     1.09819   110.49359    63.40611
   13    10 S   CT   _CG1    13     1.53011   112.98641  -174.43842
   14    13 S   HC   HG11    14     1.09578   109.98657   -69.62443
   15    13 S   HC   HG12    15     1.09649   110.28739    49.30293
   16    13 S   C    _CD1    16     1.51926   112.37998   168.76725
   17    16 S   O    _OE1    17     1.22762   123.06052   -20.44622
   18    16 S   N    _N2_    18     1.38539   111.88627   161.77513
   19    18 S   H    _HN2    19     1.01578   118.96268    -1.91469
   20    18 S   CT1  _CA2    20     1.46313   123.58866   179.01882
   21    20 S   HC   _HA2    21     1.09736   109.34038   -17.80215
   22    20 S   C    _C2_    22     1.53475   107.98222  -133.29012
   23    22 S   O    _O2_    23     1.23009   122.38449  -145.71531
   24    20 S   CT   _CB2    32     1.53418   111.34610   104.68421
   25    24 S   HC   HB21    33     1.09432   109.14200    50.73091
   26    24 S   HC   HB22    34     1.09484   110.91334   169.55089
   27    22 S   N    _N3_    24     1.38559   113.27298    41.73310
   28    27 S   H    _HN3    25     1.01539   118.84913    -0.76923
   29    24 S   S    _SG2    35     1.82723   111.61996   -71.11128
   30    27 S   CT   _CA3    26     1.45440   123.47343   175.04125
   31    30 S   HC   HA31    27     1.09523   109.22724    24.46572
   32    30 S   HC   HA32    28     1.09495   107.12224   141.47140
   33    29 S   CT   _C5_    36     1.83717   100.13547   164.60915
   34    33 S   HC   _H3_    37     1.09564   104.52264    52.25880
   35    30 S   CO3  _C3_    29     1.52929   113.13158   -99.00376
   36    35 S   O2Z  _O31    30     1.26401   115.42201   -44.03988
   37    35 S   O2Z  _O32    31     1.26356   114.97072   136.89421
   38    33 S   CM   _C6_    38     1.53815   112.83379   -66.59524
   39    33 S   CT   _C4_    80     1.53021   109.92195   165.81423
   40    39 S   HC   _H6_    81     1.09458   113.01024    58.81592
   41    39 S   HC   _H7_    82     1.09633   110.73111   -61.86530
   42    39 S   HC   _H8_    83     1.09587   110.67846   179.55238
   43    38 S   CMA  _C7_    39     1.37106   124.72360   -58.86885
   44    43 S   OM   _O38    40     1.26777   125.87243    -4.06919
   45    38 S   CT   _C20    65     1.52980   112.64291   119.85265
   46    45 S   HC   _H20    66     1.09393   112.27831  -159.96973
   47    45 S   HC   _H21    67     1.09934   107.79439   -47.75243
   48    43 S   OS   _O33    41     1.41947   113.01855  -179.53902
   49    48 S   CT   _C8_    42     1.42818   113.39399  -108.11071
   50    49 S   HC   _H4_    43     1.10089   109.85180    43.13326
   51    49 S   CT   _C9_    44     1.52455   113.28385   -79.21036
   52    51 S   HC   _H9_    45     1.09360   112.39710    82.10387
   53    51 S   HC   _H10    46     1.09662   111.08601   -38.66352
   54    51 S   CT   _C10    47     1.51160   102.49347  -158.43346
   55    54 S   HC   _H11    48     1.09516   112.97216   164.58319
   56    54 S   HC   _H12    49     1.09691   109.86177   -75.97322
   57    54 S   NT   _N4_    50     1.46639   104.83715    40.40304
   58    57 S   CT   _C14    51     1.48074   111.68457    87.07342
   59    58 S   HC   _H14    52     1.09457   109.08641   109.48639
   60    58 S   HC   _H15    53     1.09635   113.69423   -11.61686
   61    58 S   CM   _C13    54     1.48543   105.70844  -131.53554
   62    61 S   HC   _H13    55     1.08027   123.77224  -167.68413
   63    61 S   CM   _C12    56     1.33606   110.86962     9.28167
   64    63 S   CT   _C15    57     1.49263   124.93572  -171.01191
   65    64 S   HC   _H16    58     1.09602   110.91641     3.09630
   66    64 S   HC   _H17    59     1.09677   108.68513   121.91499
   67    49 S   CT   _C11    78     1.55246   113.13042   163.18159
   68    67 S   HC   _H5_    79     1.09713   109.20000  -102.87616
   69    64 S   OS   _O34    60     1.42853   110.06614  -116.28159
   70    69 S   CO4  _C16    61     1.36483   116.07143  -156.30643
   71    70 S   O    _O35    62     1.22579   125.44155    -6.40554
   72    70 S   CT   _C17    63     1.53560   110.21138   169.96959
   73    72 S   CM   _C18    64     1.53606   106.49006  -102.11893
   74    72 S   CT   _C21    71     1.54327   107.52379   133.55615
   75    74 S   HC   _H22    72     1.09597   110.67548  -177.98481
   76    74 S   HC   _H23    73     1.09545   112.09601    59.79840
   77    72 S   OH   _O37    76     1.42239   112.58398    17.82654
   78    77 S   HO   _H25    77     0.97330   108.01096   -43.70996
   79    73 S   CM   _C19    68     1.34703   123.24042  -116.79032
   80    79 S   HC   _H18    69     1.08325   123.00023    -2.03663
   81    79 S   HC   _H19    70     1.08592   121.19749   178.21655
   82    74 S   OH   _O36    74     1.42858   110.33320   -59.87885
   83    82 S   HO   _H24    75     0.97233   106.99183  -177.71415
  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  14   5   2   1   1  10   3  11   4   3  10
  14   8  10   6   5  10   4   3   9   8   5   4   8   3   7   8
   4   3   2   1   6  10   4  11   9   7   4   3   3   1   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    48    73    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    72    73    45    46    47    79    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    73    45    46    47    67  
   48    49    45  
   46    47    79    80    81    74    77    48    70    72    73  
   47    79    72    73  
   79    72    73  
   49    50    51    52    53    54    57    63    67    68  
   50    51    52    53    54    55    56    57    58    61    63    64    67    68  
   51    52    53    54    57    63    67    68  
   52    53    54    55    56    57    58    63    67    68  
   53    54    55    56    57    67  
   54    55    56    57    67  
   55    56    57    58    59    60    61    63    67    68  
   56    57    58    67  
   57    58    67  
   58    59    60    61    62    63    64    67    68  
   59    60    61    62    63    64    67    68  
   60    61    62    63    67  
   61    62    63    67  
   62    63    64    65    66    69    67    68  
   63    64    67  
   64    65    66    69    70    67    68  
   65    66    69    70    71    72    67    68  
   66    69    70    67  
   69    70    67  
   68    69  
    0  
   70    71    72    73    74    77  
   71    72    73    79    74    75    76    82    77    78  
   72    73    74    77  
   73    79    80    81    74    75    76    82    83    77    78  
   79    80    81    74    75    76    82    77    78  
   75    76    82    83    77    78    79  
   76    82    83    77  
   82    83    77  
   78    79    82  
    0  
   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  -0.120000   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   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   58   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    67   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   382.000  1.448
   57    58   382.000  1.448
   57    67   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   317.000  1.510
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   317.000  1.510
   63    67   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   214.000  1.327
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   317.000  1.510
   72    74   268.000  1.529
   72    77   320.000  1.410
   73    45   317.000  1.510
   73    79   549.000  1.340
   45    46   340.000  1.090
   45    47   340.000  1.090
   79    80   340.000  1.080
   79    81   340.000  1.080
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    82   320.000  1.410
   82    83   553.000  0.945
   77    78   553.000  0.945
   67    68   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    48    80.00000  120.01400
   38    45    73    70.00000  110.12100
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    67    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    58.35000  112.70000
   49    67    57    56.20000  109.47000
   49    67    63    70.00000  112.02700
   49    67    68    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    56.20000  109.47000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    57    58    51.80000  107.20000
   54    57    67    51.80000  107.20000
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    58    59    35.00000  109.50000
   57    58    60    35.00000  109.50000
   57    58    61    75.00000  110.70900
   57    67    63    75.00000  110.70900
   57    67    68    35.00000  109.50000
   58    61    62    35.00000  117.00000
   58    61    63    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   61    63    64    70.00000  124.00000
   61    63    67    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    69    85.00000  110.90400
   63    67    68    35.00000  109.50000
   64    69    70    83.00000  116.90000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   69    70    71    83.00000  123.40000
   69    70    72    81.00000  111.40000
   70    72    73    70.00000  109.06800
   70    72    74    63.00000  111.10000
   70    72    77    90.00000  109.61100
   72    70    71    80.00000  120.40000
   72    73    45    65.00000  117.92700
   72    73    79    70.00000  124.00000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    82    50.00000  109.50000
   72    77    78    55.00000  108.50000
   73    45    46    35.00000  109.50000
   73    45    47    35.00000  109.50000
   73    79    80    35.00000  120.00000
   73    79    81    35.00000  120.00000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   79    73    45    70.00000  124.00000
   81    79    80    35.00000  117.00000
   74    72    73    70.00000  112.02700
   74    82    83    55.00000  108.50000
   76    74    75    33.00000  107.80000
   82    74    75    35.00000  109.50000
   82    74    76    35.00000  109.50000
   77    72    73    90.00000  110.39200
   77    72    74    50.00000  109.50000
   67    49    50    37.50000  110.70000
   67    49    51    58.35000  112.70000
   67    57    58    51.80000  107.20000
   67    63    64    65.00000  117.92700
   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    48   7.00000 -1.0 2.0
   33    38    45    73   0.09700  1.0 1.0
   33    38    45    73   0.15600 -1.0 2.0
   33    38    45    73  -0.50800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   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    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    73  -0.28300  1.0 1.0
   43    38    45    73   0.26700 -1.0 2.0
   43    38    45    73  -0.63300  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.46850  1.0 1.0
   43    48    49    51   0.09300 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    67  -0.46850  1.0 1.0
   43    48    49    67   0.09300 -1.0 2.0
   43    48    49    67  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    53   0.23400  1.0 3.0
   48    49    51    54   0.62750  1.0 1.0
   48    49    51    54  -0.30950 -1.0 2.0
   48    49    51    54   0.27300  1.0 3.0
   48    49    67    57   1.74050  1.0 1.0
   48    49    67    63   0.61850  1.0 1.0
   48    49    67    63  -0.22750 -1.0 2.0
   48    49    67    63   0.15300  1.0 3.0
   48    49    67    68   0.23400  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    56   0.15000  1.0 3.0
   49    51   -54    57   1.53400  1.0 1.0
   49    51   -54    57  -0.09950 -1.0 2.0
   49    51   -54    57   0.05700  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    67    57   0.15000  1.0 3.0
   50    49    67    63   0.15000  1.0 3.0
   50    49    67    68   0.15000  1.0 3.0
   51    49   -67    57   1.53400  1.0 1.0
   51    49   -67    57  -0.09950 -1.0 2.0
   51    49   -67    57   0.05700  1.0 3.0
   51    49    67    63   0.34400  1.0 1.0
   51    49    67    63   0.09450 -1.0 2.0
   51    49    67    63   0.11100  1.0 3.0
   51    49    67    68   0.15000  1.0 3.0
   51    54    57    58   0.23450  1.0 1.0
   51    54    57    58   0.02050 -1.0 2.0
   51    54    57    58   0.25250  1.0 3.0
   51    54   -57    67   0.23450  1.0 1.0
   51    54   -57    67   0.02050 -1.0 2.0
   51    54   -57    67   0.25250  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.15000  1.0 3.0
   54    57    58    59   0.28000  1.0 3.0
   54    57    58    60   0.28000  1.0 3.0
   54    57    58    61  -0.60800  1.0 1.0
   54    57    58    61   1.10050 -1.0 2.0
   54    57    58    61   0.47000  1.0 3.0
   54    57   -67    49   0.23450  1.0 1.0
   54    57   -67    49   0.02050 -1.0 2.0
   54    57   -67    49   0.25250  1.0 3.0
   54    57    67    63  -0.60800  1.0 1.0
   54    57    67    63   1.10050 -1.0 2.0
   54    57    67    63   0.47000  1.0 3.0
   54    57    67    68   0.28000  1.0 3.0
   55    54    57    58   0.28000  1.0 3.0
   55    54    57    67   0.28000  1.0 3.0
   56    54    57    58   0.28000  1.0 3.0
   56    54    57    67   0.28000  1.0 3.0
   57    58    61    62   0.00000  1.0 1.0
   57    58   -61    63   0.90200  1.0 1.0
   57    58   -61    63   0.57900 -1.0 2.0
   57    58   -61    63  -0.62100  1.0 3.0
   58    57    67    49   0.23450  1.0 1.0
   58    57    67    49   0.02050 -1.0 2.0
   58    57    67    49   0.25250  1.0 3.0
   58    57   -67    63  -0.60800  1.0 1.0
   58    57   -67    63   1.10050 -1.0 2.0
   58    57   -67    63   0.47000  1.0 3.0
   58    57    67    68   0.28000  1.0 3.0
   58    61    63    64   7.00000 -1.0 2.0
   58    61   -63    67   7.00000 -1.0 2.0
   59    58    61    62   0.33100  1.0 3.0
   59    58    61    63   0.00000  1.0 1.0
   60    58    61    62   0.33100  1.0 3.0
   60    58    61    63   0.00000  1.0 1.0
   61    63    64    65   0.00000  1.0 1.0
   61    63    64    66   0.00000  1.0 1.0
   61    63    64    69   0.39000  1.0 1.0
   61    63    64    69  -0.05800 -1.0 2.0
   61    63    64    69  -0.55150  1.0 3.0
   61    63    67    49   0.09850  1.0 1.0
   61    63    67    49   0.15250 -1.0 2.0
   61    63    67    49  -0.50650  1.0 3.0
   61    63   -67    57   0.90200  1.0 1.0
   61    63   -67    57   0.57900 -1.0 2.0
   61    63   -67    57  -0.62100  1.0 3.0
   61    63    67    68   0.00000  1.0 1.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    67   7.00000 -1.0 2.0
   63    64    69    70  -0.82050  1.0 1.0
   63    64    69    70   0.00600 -1.0 2.0
   63    64    69    70   0.04400  1.0 3.0
   64    63    67    49   0.46850  1.0 1.0
   64    63    67    49   0.08550 -1.0 2.0
   64    63    67    49   0.09800  1.0 3.0
   64    63    67    57   0.52100  1.0 1.0
   64    63    67    57  -0.20350 -1.0 2.0
   64    63    67    57   0.29750  1.0 3.0
   64    63    67    68   0.34800  1.0 3.0
   64    69    70    71   3.00000 -1.0 2.0
   64    69    70    72   1.63150  1.0 1.0
   64    69    70    72   2.92000 -1.0 2.0
   65    64    69    70   0.08050  1.0 3.0
   66    64    69    70   0.08050  1.0 3.0
   69    70    72    73   0.40000  1.0 3.0
   69    70    72    74   0.36750  1.0 3.0
   69    70    72    77   0.30750  1.0 1.0
   69    70    72    77   1.13850 -1.0 2.0
   69    70    72    77   0.38850  1.0 3.0
   70    72    73    45   0.17250  1.0 1.0
   70    72    73    45  -0.04100 -1.0 2.0
   70    72    73    45  -0.33850  1.0 3.0
   70    72    73    79  -0.51250  1.0 1.0
   70    72    73    79  -0.88800 -1.0 2.0
   70    72    73    79   0.08850  1.0 3.0
   70    72    74    75  -0.11250  1.0 3.0
   70    72    74    76  -0.11250  1.0 3.0
   70    72    74    82  -0.09450  1.0 1.0
   70    72    74    82  -1.12950 -1.0 2.0
   70    72    74    82   0.54000  1.0 3.0
   70    72    77    78   0.91850  1.0 1.0
   70    72    77    78   0.57950  1.0 3.0
   71    70    72    73   0.30150 -1.0 2.0
   71    70    72    74   0.30150 -1.0 2.0
   71    70    72    77   0.30150 -1.0 2.0
   72    73    45    38   0.09700  1.0 1.0
   72    73    45    38   0.15600 -1.0 2.0
   72    73    45    38  -0.50800  1.0 3.0
   72    73    45    46   0.34800  1.0 3.0
   72    73    45    47   0.34800  1.0 3.0
   72    73    79    80   7.00000 -1.0 2.0
   72    73    79    81   7.00000 -1.0 2.0
   72    74    82    83  -0.11600  1.0 1.0
   72    74    82    83  -0.09450 -1.0 2.0
   72    74    82    83   0.21250  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    82   1.05650  1.0 1.0
   73    72    74    82   0.15600 -1.0 2.0
   73    72    74    82   0.53150  1.0 3.0
   73    72    77    78  -0.07800  1.0 1.0
   73    72    77    78  -0.21500 -1.0 2.0
   73    72    77    78  -0.03150  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    73    79    80   7.00000 -1.0 2.0
   45    73    79    81   7.00000 -1.0 2.0
   79    73    45    38  -0.28300  1.0 1.0
   79    73    45    38   0.26700 -1.0 2.0
   79    73    45    38  -0.63300  1.0 3.0
   79    73    45    46   0.00000  1.0 1.0
   79    73    45    47   0.00000  1.0 1.0
   74    72    73    45   0.46850  1.0 1.0
   74    72    73    45   0.08550 -1.0 2.0
   74    72    73    45   0.09800  1.0 3.0
   74    72    73    79   0.09850  1.0 1.0
   74    72    73    79   0.15250 -1.0 2.0
   74    72    73    79  -0.50650  1.0 3.0
   74    72    77    78  -0.11600  1.0 1.0
   74    72    77    78  -0.09450 -1.0 2.0
   74    72    77    78   0.21250  1.0 3.0
   75    74    82    83   0.19450  1.0 3.0
   76    74    82    83   0.19450  1.0 3.0
   77    72    73    45   0.18000  1.0 1.0
   77    72    73    45   0.16450 -1.0 2.0
   77    72    73    45   0.04450  1.0 3.0
   77    72    73    79   0.67800  1.0 1.0
   77    72    73    79   0.47050 -1.0 2.0
   77    72    73    79  -0.62500  1.0 3.0
   77    72    74    75   0.23400  1.0 3.0
   77    72    74    76   0.23400  1.0 3.0
   77    72    74    82   3.75450  1.0 1.0
   67    49    51    52   0.15000  1.0 3.0
   67    49    51    53   0.15000  1.0 3.0
   67    49   -51    54   0.56750  1.0 1.0
   67    49   -51    54  -0.07550 -1.0 2.0
   67    49   -51    54   0.20000  1.0 3.0
   67    57    58    59   0.28000  1.0 3.0
   67    57    58    60   0.28000  1.0 3.0
   67    57   -58    61  -0.60800  1.0 1.0
   67    57   -58    61   1.10050 -1.0 2.0
   67    57   -58    61   0.47000  1.0 3.0
   67    63    64    65   0.34800  1.0 3.0
   67    63    64    66   0.34800  1.0 3.0
   67    63    64    69   0.09700  1.0 1.0
   67    63    64    69   0.15600 -1.0 2.0
   67    63    64    69  -0.50800  1.0 3.0
   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   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   58    62    61    63   1.10000 -1.0 2.0
   64    67    63    61   1.10000 -1.0 2.0
   69    72    70    71  10.50000 -1.0 2.0
   72    45    73    79   1.10000 -1.0 2.0
   80    81    79    73   1.10000 -1.0 2.0
END
