* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    161    247     474
    1     0 S   NP   _N1_     1    30.32804    88.57644   -20.70127
    2     1 S   H    _HN1     2     1.02778    22.72946    25.74995
    3     1 S   H    _H1_     3     1.03007   113.83639   -53.37060
    4     1 S   H    _H2_     4     1.02912   122.11360    78.67494
    5     1 S   CT   _CA1     5     1.50084    88.93416  -167.94663
    6     5 S   HC   _HA1     6     1.09543   105.27974    53.09939
    7     5 S   CO3  _C1_     7     1.53729   112.56236   -67.49887
    8     7 S   O2Z  _O11     8     1.26397   115.02733   -38.31243
    9     7 S   O2Z  _O12     9     1.26237   114.96278   140.81879
   10     5 S   CT   _CB1    10     1.52803   107.23887   171.34785
   11    10 S   HC   HB11    11     1.09686   109.07928   -47.48134
   12    10 S   HC   HB12    12     1.09815   110.36690    68.82929
   13    10 S   CT   _CG1    13     1.52951   113.39748  -168.24483
   14    13 S   HC   HG11    14     1.09519   111.24269   -66.89590
   15    13 S   HC   HG12    15     1.09583   110.93084    52.67969
   16    13 S   C    _CD1    16     1.51435   109.21357   171.66268
   17    16 S   O    _OE1    17     1.22886   121.68513   -88.84460
   18    16 S   N    _N2_    18     1.38314   113.11806    88.39418
   19    18 S   H    _HN2    19     1.01549   119.49391     6.35391
   20    18 S   CT1  _CA2    20     1.45747   122.51793  -173.45758
   21    20 S   HC   _HA2    21     1.09609   108.00662    32.30844
   22    20 S   C    _C2_    22     1.52941   107.99096   -84.54303
   23    22 S   O    _O2_    23     1.22945   123.14349   -26.03518
   24    20 S   CT   _CB2    32     1.53469   112.62601   155.14007
   25    24 S   HC   HB21    33     1.09674   109.48789    68.56005
   26    24 S   HC   HB22    34     1.09526   111.02576  -174.42620
   27    22 S   N    _N3_    24     1.38522   112.41490   156.71989
   28    27 S   H    _HN3    25     1.01646   120.35943    -2.38893
   29    24 S   S    _SG2    35     1.82643   114.26109   -50.26297
   30    27 S   CT   _CA3    26     1.45342   122.52806   178.63441
   31    30 S   HC   HA31    27     1.09565   107.84313   -55.33542
   32    30 S   HC   HA32    28     1.09560   107.59901    61.02429
   33    29 S   CT   _C20    36     1.84398   100.97914   -70.99032
   34    33 S   HC   _H6_    37     1.09347   107.63220    29.44977
   35    30 S   CO3  _C3_    29     1.52897   114.26039  -177.24686
   36    35 S   O2Z  _O31    30     1.26346   116.04759     0.13270
   37    35 S   O2Z  _O32    31     1.26429   114.42189  -179.91153
   38    33 S   CM   _C7_    38     1.53581   107.77996   145.19362
   39    33 S   CT   _C21    82     1.52922   110.30745   -85.26231
   40    39 S   HC   _H25    83     1.09435   113.31613   -50.34296
   41    39 S   HC   _H26    84     1.09571   110.68012  -172.08607
   42    39 S   HC   _H27    85     1.09628   110.47012    69.61376
   43    38 S   CMA  _C8_    39     1.36932   125.99006    81.41922
   44    43 S   OM   _O38    40     1.26829   125.97087     5.29742
   45    38 S   CT   _C6_    66     1.53081   113.04054   -96.23302
   46    45 S   HC   _H10    67     1.09675   110.17716    22.84015
   47    45 S   HC   _H11    68     1.09573   108.57080   135.96121
   48    43 S   OS   _O33    41     1.42930   111.77766  -174.37120
   49    48 S   CT   _C9_    42     1.42698   113.49317   129.57789
   50    49 S   HC   _H4_    43     1.10034   109.75648    57.37080
   51    49 S   CT   _C10    44     1.52289   113.55807   -65.47734
   52    51 S   HC   _H12    45     1.09415   112.70304    75.25233
   53    51 S   HC   _H13    46     1.09602   111.14347   -45.60488
   54    51 S   CT   _C11    47     1.51225   101.65427  -164.87918
   55    54 S   HC   _H14    48     1.09525   112.73812   164.16414
   56    54 S   HC   _H15    49     1.09719   109.51275   -77.39091
   57    54 S   NT   _N4_    50     1.47209   105.63858    38.61109
   58    57 S   CT   _C15    51     1.47806   111.62854    95.90454
   59    58 S   HC   _H17    52     1.09494   108.98214   120.16131
   60    58 S   HC   _H18    53     1.09577   113.73442    -0.37325
   61    58 S   CM   _C14    54     1.48311   106.39053  -121.18069
   62    61 S   HC   _H16    55     1.08063   123.60402  -173.44917
   63    61 S   CM   _C13    56     1.33595   111.28680     3.33125
   64    63 S   CT   _C16    57     1.49335   124.07945  -170.93668
   65    64 S   HC   _H19    58     1.09748   111.65233    12.70177
   66    64 S   HC   _H20    59     1.09562   109.35448   129.60886
   67    49 S   CT   _C12    80     1.54288   114.28145   176.85116
   68    67 S   HC   _H5_    81     1.09729   109.36170   -91.94143
   69    64 S   OS   _O34    60     1.43245   113.17017  -111.04524
   70    69 S   CO4  _C17    61     1.36368   117.80813    79.75721
   71    70 S   O    _O35    62     1.22647   125.64316    -5.40312
   72    70 S   CT   _C18    63     1.53474   110.75154   172.75690
   73    72 S   CT   _C5_    64     1.55714   111.89558    44.44101
   74    73 S   HC   _H3_    65     1.09786   108.44676   -59.41401
   75    72 S   CT   _C19    73     1.54013   107.37969   -82.02820
   76    75 S   HC   _H21    74     1.09679   110.69468   -44.53640
   77    75 S   HC   _H22    75     1.09579   110.89010  -162.47874
   78    72 S   OH   _O37    78     1.43135   106.54132   163.07260
   79    78 S   HO   _H24    79     0.97294   108.19612    60.93182
   80    73 S   CT   _C4_    69     1.53791   111.88727  -176.65005
   81    80 S   HC   _H7_    70     1.09498   111.49068   -63.37509
   82    80 S   HC   _H8_    71     1.09377   111.12912   175.94841
   83    80 S   HC   _H9_    72     1.09382   111.58831    57.65825
   84    75 S   OH   _O36    76     1.41943   111.57342    76.03446
   85    84 S   HO   _H23    77     0.97244   107.23157   178.58598
  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  15   5   2   1   1  10   3  13   5   4  10
  14   8  10   6   5  10   4   3   9   8   5   4   8   3   7   8
   4   3   2   1   6  11   4  13  11   6   7   4   3   3   1   3
   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    74    45    46    47    80    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    80    81    82    83    75    78    48    70    72    73    74  
   47    80    72    73    74  
   80    72    73    74  
   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    75    78  
   71    72    73    74    80    75    76    77    84    78    79  
   72    73    75    78  
   73    74    80    81    82    83    75    76    77    84    85    78    79  
   74    80    81    82    83    75    76    77    84    78    79  
   80    81    82    83    75    78  
   76    77    84    85    78    79    80  
   77    84    85    78  
   84    85    78  
   79    80    84  
    0  
   81    82    83  
   82    83  
   83  
    0  
   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   0.107500   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   3.5000   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   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   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   268.000  1.529
   72    75   268.000  1.529
   72    78   320.000  1.410
   73    74   340.000  1.090
   73    45   268.000  1.529
   73    80   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    84   320.000  1.410
   84    85   553.000  0.945
   78    79   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  112.02700
   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    63.00000  111.10000
   70    72    75    63.00000  111.10000
   70    72    78    90.00000  109.61100
   72    70    71    80.00000  120.40000
   72    73    74    37.50000  110.70000
   72    73    45    58.35000  112.70000
   72    73    80    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    84    50.00000  109.50000
   72    78    79    55.00000  108.50000
   73    45    46    37.50000  110.70000
   73    45    47    37.50000  110.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    83    37.50000  110.70000
   45    38    43    70.00000  124.00000
   45    73    74    37.50000  110.70000
   47    45    46    33.00000  107.80000
   80    73    74    37.50000  110.70000
   80    73    45    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   75    72    73    58.35000  112.70000
   75    84    85    55.00000  108.50000
   77    75    76    33.00000  107.80000
   84    75    76    35.00000  109.50000
   84    75    77    35.00000  109.50000
   78    72    73    50.00000  109.50000
   78    72    75    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   0.46850  1.0 1.0
   33    38    45    73   0.08550 -1.0 2.0
   33    38    45    73   0.09800  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   0.09850  1.0 1.0
   43    38    45    73   0.15250 -1.0 2.0
   43    38    45    73  -0.50650  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   0.36750  1.0 3.0
   69    70    72    75   0.36750  1.0 3.0
   69    70    72    78   0.30750  1.0 1.0
   69    70    72    78   1.13850 -1.0 2.0
   69    70    72    78   0.38850  1.0 3.0
   70    72    73    74  -0.11250  1.0 3.0
   70    72    73    45  -0.95700  1.0 1.0
   70    72    73    45  -0.18200 -1.0 2.0
   70    72    73    45   0.29450  1.0 3.0
   70    72    73    80  -0.95700  1.0 1.0
   70    72    73    80  -0.18200 -1.0 2.0
   70    72    73    80   0.29450  1.0 3.0
   70    72    75    76  -0.11250  1.0 3.0
   70    72    75    77  -0.11250  1.0 3.0
   70    72    75    84  -0.09450  1.0 1.0
   70    72    75    84  -1.12950 -1.0 2.0
   70    72    75    84   0.54000  1.0 3.0
   70    72    78    79   0.91850  1.0 1.0
   70    72    78    79   0.57950  1.0 3.0
   71    70    72    73   0.30150 -1.0 2.0
   71    70    72    75   0.30150 -1.0 2.0
   71    70    72    78   0.30150 -1.0 2.0
   72    73    45    38   0.34400  1.0 1.0
   72    73    45    38   0.09450 -1.0 2.0
   72    73    45    38   0.11100  1.0 3.0
   72    73    45    46   0.15000  1.0 3.0
   72    73    45    47   0.15000  1.0 3.0
   72    73    80    81   0.15000  1.0 3.0
   72    73    80    82   0.15000  1.0 3.0
   72    73    80    83   0.15000  1.0 3.0
   72    75    84    85  -0.11600  1.0 1.0
   72    75    84    85  -0.09450 -1.0 2.0
   72    75    84    85   0.21250  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    84   0.86500  1.0 1.0
   73    72    75    84  -0.17500 -1.0 2.0
   73    72    75    84   0.20800  1.0 3.0
   73    72    78    79  -0.11600  1.0 1.0
   73    72    78    79  -0.09450 -1.0 2.0
   73    72    78    79   0.21250  1.0 3.0
   74    73    45    38   0.15000  1.0 3.0
   74    73    45    46   0.15000  1.0 3.0
   74    73    45    47   0.15000  1.0 3.0
   74    73    80    81   0.15000  1.0 3.0
   74    73    80    82   0.15000  1.0 3.0
   74    73    80    83   0.15000  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    80    81   0.15000  1.0 3.0
   45    73    80    82   0.15000  1.0 3.0
   45    73    80    83   0.15000  1.0 3.0
   80    73    45    38   0.34400  1.0 1.0
   80    73    45    38   0.09450 -1.0 2.0
   80    73    45    38   0.11100  1.0 3.0
   80    73    45    46   0.15000  1.0 3.0
   80    73    45    47   0.15000  1.0 3.0
   75    72    73    74   0.15000  1.0 3.0
   75    72    73    45   0.56750  1.0 1.0
   75    72    73    45  -0.07550 -1.0 2.0
   75    72    73    45   0.20000  1.0 3.0
   75    72    73    80   0.56750  1.0 1.0
   75    72    73    80  -0.07550 -1.0 2.0
   75    72    73    80   0.20000  1.0 3.0
   75    72    78    79  -0.11600  1.0 1.0
   75    72    78    79  -0.09450 -1.0 2.0
   75    72    78    79   0.21250  1.0 3.0
   76    75    84    85   0.19450  1.0 3.0
   77    75    84    85   0.19450  1.0 3.0
   78    72    73    74   0.23400  1.0 3.0
   78    72    73    45   0.86500  1.0 1.0
   78    72    73    45  -0.17500 -1.0 2.0
   78    72    73    45   0.20800  1.0 3.0
   78    72    73    80   0.86500  1.0 1.0
   78    72    73    80  -0.17500 -1.0 2.0
   78    72    73    80   0.20800  1.0 3.0
   78    72    75    76   0.23400  1.0 3.0
   78    72    75    77   0.23400  1.0 3.0
   78    72    75    84   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
END
