* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    158    245     465
    1     0 S   NP   _N1_     1    28.82494    96.43305   -20.38154
    2     1 S   H    _HN1     2     1.02788    90.69358   -93.19008
    3     1 S   H    _H1_     3     1.02950    74.81239    15.68015
    4     1 S   H    _H2_     4     1.02832    44.08041   151.42598
    5     1 S   CT   _CA1     5     1.50119   152.03215   120.74540
    6     5 S   HC   _HA1     6     1.09561   105.19258    81.54324
    7     5 S   CO3  _C1_     7     1.53746   112.58282   -38.75909
    8     7 S   O2Z  _O11     8     1.26388   115.00088   -38.18457
    9     7 S   O2Z  _O12     9     1.26230   115.07092   141.16117
   10     5 S   CT   _CB1    10     1.53090   107.44219  -160.25542
   11    10 S   HC   HB11    11     1.09831   109.47427   -47.68346
   12    10 S   HC   HB12    12     1.09815   110.39623    68.97234
   13    10 S   CT   _CG1    13     1.52990   112.62138  -168.58082
   14    13 S   HC   HG11    14     1.09569   110.71422   -65.60813
   15    13 S   HC   HG12    15     1.09665   109.75111    53.63332
   16    13 S   C    _CD1    16     1.51793   112.16365   174.19873
   17    16 S   O    _OE1    17     1.22722   123.23691     9.90153
   18    16 S   N    _N2_    18     1.38602   111.66965  -170.73140
   19    18 S   H    _HN2    19     1.01580   118.97444     1.90721
   20    18 S   CT1  _CA2    20     1.46324   123.46981   178.99439
   21    20 S   HC   _HA2    21     1.09733   109.43251    -4.00233
   22    20 S   C    _C2_    22     1.53414   108.47474  -119.54435
   23    22 S   O    _O2_    23     1.23029   122.35424  -148.11174
   24    20 S   CT   _CB2    32     1.53302   111.16275   118.09229
   25    24 S   HC   HB21    33     1.09499   109.40129    56.24094
   26    24 S   HC   HB22    34     1.09493   110.84754   174.79049
   27    22 S   N    _N3_    24     1.38357   113.51111    39.35336
   28    27 S   H    _HN3    25     1.01618   119.50346    -3.44503
   29    24 S   S    _SG2    35     1.82872   110.83282   -66.08626
   30    27 S   CT   _CA3    26     1.45278   123.20269   177.07203
   31    30 S   HC   HA31    27     1.09549   107.51773   -64.32674
   32    30 S   HC   HA32    28     1.09556   107.97253    52.10361
   33    29 S   CT   _C15    36     1.86179   100.64798   138.17446
   34    33 S   HC   _H5_    37     1.08974   102.05880   -38.53215
   35    30 S   CO3  _C3_    29     1.52952   114.08524   174.09435
   36    35 S   O2Z  _O31    30     1.26377   116.06542    -0.70942
   37    35 S   O2Z  _O32    31     1.26427   114.41455   179.35079
   38    33 S   CT   _C16    38     1.55808   109.80128  -151.47892
   39    38 S   HC   _H6_    39     1.08707   110.12180  -164.39671
   40    33 S   CT   _C14    62     1.57741   114.16896    77.05545
   41    38 S   CT   _C17    40     1.54595   113.89501    73.53077
   42    41 S   HC   _H7_    41     1.09751   111.68459    -3.00322
   43    40 S   CT   _C21    63     1.54205   112.37641    46.37625
   44    43 S   HC   _H19    64     1.09452   112.10338   -65.53030
   45    43 S   HC   _H20    65     1.09691   110.76555   177.68218
   46    43 S   HC   _H21    66     1.09399   111.74680    57.44204
   47    40 S   OH   _O37    67     1.43667   107.35775   -71.46050
   48    47 S   HO   _H22    68     0.97279   108.24794   173.63037
   49    41 S   CM   _C18    42     1.49616   100.41974  -118.13728
   50    41 S   CT   _C8_    49     1.56562   113.65868   119.36711
   51    50 S   HC   _H3_    50     1.09836   108.90893    52.37998
   52    49 S   CO4  _C20    43     1.47259   110.91433    -8.56245
   53    52 S   O    _O35    44     1.21794   126.93480  -173.76970
   54    49 S   CM   _C19    46     1.33700   128.40244   166.25357
   55    54 S   HC   _H17    47     1.08446   121.04143     2.06222
   56    54 S   HC   _H18    48     1.08515   121.93625  -177.26441
   57    50 S   CT   _C9_    51     1.55645   114.90158   -72.09999
   58    57 S   HC   _H12    52     1.09839   108.54821   -57.51926
   59    57 S   HC   _H13    53     1.09728   109.72931  -171.40630
   60    50 S   OS   _O34    72     1.45302   107.46657   170.79158
   61    38 S   OS   _O36    45     1.43891   111.95479   -50.12627
   62    57 S   CM   _C10    54     1.48107   114.32703    65.91070
   63    60 S   CO4  _C7_    73     1.36065   117.60030  -149.56440
   64    63 S   O    _O33    74     1.21898   126.76421    -0.11869
   65    62 S   CM   _C11    55     1.33064   128.49548  -103.02423
   66    65 S   HC   _H14    56     1.08023   124.80189    -7.31834
   67    63 S   CM   _C6_    75     1.48104   107.15607   179.26778
   68    67 S   HC   _H11    76     1.08711   114.97974   -21.17902
   69    65 S   CT   _C12    57     1.47431   110.53532   161.28266
   70    69 S   HC   _H4_    58     1.09448   111.20947   136.27490
   71    67 S   CM   _C5_    77     1.34524   125.71292   159.72167
   72    69 S   CT   _C13    59     1.55278   116.18419   -94.40584
   73    72 S   HC   _H15    60     1.09873   109.93599    93.02642
   74    72 S   HC   _H16    61     1.10096   104.48276  -156.64302
   75    69 S   OS   _O38    69     1.44198   102.10084    20.57772
   76    71 S   CT   _C4_    78     1.50721   119.67845   177.76770
   77    76 S   HC   _H8_    79     1.09497   110.31031   118.43753
   78    76 S   HC   _H9_    80     1.09525   112.47258    -1.71361
   79    76 S   HC   _H10    81     1.09502   110.16237  -121.72918
   80    71 S   CT   _C23    82     1.50294   126.20825    -3.06446
   81    80 S   HC   _H23    83     1.09455   110.13885   106.11200
   82    80 S   HC   _H24    84     1.09162   113.55125   -15.85077
   83    80 S   HC   _H25    85     1.09580   110.10923  -134.67451
   84    62 S   CO4  _C22    70     1.46846   125.17908    72.09271
   85    84 S   O    _O39    71     1.21774   125.88711     7.21733
  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  10   5   4   3
  20   8   2   1   1  16   7  15  16   8   9   4   3   2   5   1
  10  14   6   5   2   3   1   1  11   5   4   6   1   8   6   3
   9   5  10   3   7   5   8   4   2   1   2   7   3   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    61    72    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    52    61    50    69    72    73    74    40    43    44    45    46    47    48  
   38    39    41    61    72    40    43    47  
   36    37  
   37  
    0  
   39    41    42    49    52    53    61    54    50    51    57    72    40    43    47    60  
   41    42    49    52    61    50    40  
   43    44    45    46    47    48    75    41    61    65    69    70    72    73    74  
   42    49    52    53    61    54    55    56    50    51    57    58    59    62    60    63  
   49    52    61    54    50    51    57    60  
   44    45    46    47    48    69    72    73    74  
   45    46    47    72  
   46    47    72  
   47    72  
   48    69    72    73    74  
   72  
   52    53    61    54    55    56    50    51    57    60  
   51    57    58    59    62    65    84    60    63    64    67    52    54    61  
   57    58    59    62    60    63  
   53    61    54    55    56  
   61    54  
   55    56    61  
   56  
    0  
   58    59    62    65    66    69    75    84    85    60    63  
   59    62    65    84    60  
   62    65    84    60  
   63    64    67    68    71    62  
    0  
   65    66    69    70    72    75    84    85  
   64    67    68    71    76    80  
   67    68    71  
   66    69    70    72    73    74    75    84    85  
   69    70    72    75    84  
   68    71    76    77    78    79    80    81    82    83  
   71    76    80  
   70    72    73    74    75    84    85  
   72    73    74    75    84  
   76    77    78    79    80    81    82    83  
   73    74    75    84  
   74    75  
   75  
   84    85  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    61   320.000  1.410
   41    42   340.000  1.090
   41    49   317.000  1.510
   41    50   268.000  1.529
   49    52   320.000  1.462
   49    54   549.000  1.340
   52    53   570.000  1.229
   52    61   214.000  1.327
   54    55   340.000  1.080
   54    56   340.000  1.080
   50    51   340.000  1.090
   50    57   268.000  1.529
   50    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   317.000  1.510
   62    65   549.000  1.340
   62    84   320.000  1.462
   65    66   340.000  1.080
   65    69   317.000  1.510
   69    70   340.000  1.090
   69    72   268.000  1.529
   69    75   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    40   268.000  1.529
   40    43   268.000  1.529
   40    47   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   553.000  0.945
   75    84   214.000  1.327
   84    85   570.000  1.229
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    67   320.000  1.462
   67    68   340.000  1.080
   67    71   549.000  1.340
   71    76   317.000  1.510
   71    80   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    61    50.00000  109.50000
   33    40    72    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    49    70.00000  112.02700
   38    41    50    58.35000  112.70000
   38    61    52    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    49    52    65.00000  116.34900
   41    49    54    70.00000  124.00000
   41    50    51    37.50000  110.70000
   41    50    57    58.35000  112.70000
   41    50    60    50.00000  109.50000
   49    41    42    35.00000  109.50000
   49    52    53    80.00000  123.72100
   49    52    61    90.00000  111.29400
   49    54    55    35.00000  120.00000
   49    54    56    35.00000  120.00000
   61    38    39    35.00000  109.50000
   61    38    41    50.00000  109.50000
   61    52    53    83.00000  123.40000
   54    49    52    65.00000  118.96000
   56    54    55    35.00000  117.00000
   50    41    42    37.50000  110.70000
   50    41    49    70.00000  112.02700
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    62    70.00000  112.02700
   50    60    63    83.00000  116.90000
   57    50    51    37.50000  110.70000
   57    62    65    70.00000  124.00000
   57    62    84    65.00000  116.34900
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    65    66    35.00000  120.00000
   62    65    69    70.00000  124.00000
   62    84    75    90.00000  111.29400
   62    84    85    80.00000  123.72100
   65    69    70    35.00000  109.50000
   65    69    72    70.00000  112.02700
   65    69    75    85.00000  110.90400
   69    65    66    35.00000  117.00000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    40    58.35000  112.70000
   69    75    84    83.00000  116.90000
   72    69    70    37.50000  110.70000
   72    40    43    58.35000  112.70000
   72    40    47    50.00000  109.50000
   74    72    73    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    72    73    37.50000  110.70000
   40    72    74    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    50.00000  109.50000
   75    69    70    35.00000  109.50000
   75    69    72    50.00000  109.50000
   75    84    85    83.00000  123.40000
   84    62    65    65.00000  118.96000
   60    50    51    35.00000  109.50000
   60    50    57    50.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    67    90.00000  111.29400
   63    67    68    40.00000  117.72500
   63    67    71    65.00000  118.96000
   67    63    64    80.00000  123.72100
   67    71    76    70.00000  124.00000
   67    71    80    70.00000  124.00000
   71    67    68    35.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   71    80    81    35.00000  109.50000
   71    80    82    35.00000  109.50000
   71    80    83    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    71    76    65.00000  117.92700
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    61   0.56750  1.0 1.0
   29    33    38    61  -0.07550 -1.0 2.0
   29    33    38    61   0.20000  1.0 3.0
   29    33    40    72   0.44750  1.0 1.0
   29    33    40    72  -0.17800 -1.0 2.0
   29    33    40    72   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    49   0.34400  1.0 1.0
   33    38    41    49   0.09450 -1.0 2.0
   33    38    41    49   0.11100  1.0 3.0
   33    38    41    50   0.56750  1.0 1.0
   33    38    41    50  -0.07550 -1.0 2.0
   33    38    41    50   0.20000  1.0 3.0
   33    38    61    52  -0.25900  1.0 1.0
   33    38    61    52  -0.47000 -1.0 2.0
   33    38    61    52   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    61   0.23400  1.0 3.0
   34    33    40    72   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    72   0.56750  1.0 1.0
   38    33    40    72  -0.07550 -1.0 2.0
   38    33    40    72   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    47   0.86500  1.0 1.0
   38    33    40    47  -0.17500 -1.0 2.0
   38    33    40    47   0.20800  1.0 3.0
   38    41   -49    52   0.09700  1.0 1.0
   38    41   -49    52   0.15600 -1.0 2.0
   38    41   -49    52  -0.50800  1.0 3.0
   38    41    49    54   0.09850  1.0 1.0
   38    41    49    54   0.15250 -1.0 2.0
   38    41    49    54  -0.50650  1.0 3.0
   38    41    50    51   0.15000  1.0 3.0
   38    41    50    57   0.56750  1.0 1.0
   38    41    50    57  -0.07550 -1.0 2.0
   38    41    50    57   0.20000  1.0 3.0
   38    41    50    60   0.62750  1.0 1.0
   38    41    50    60  -0.30950 -1.0 2.0
   38    41    50    60   0.27300  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    41    50   0.15000  1.0 3.0
   39    38    61    52   0.08050  1.0 3.0
   41    38   -61    52  -0.25900  1.0 1.0
   41    38   -61    52  -0.47000 -1.0 2.0
   41    38   -61    52   0.11750  1.0 3.0
   41    49    52    53  -0.64400  1.0 1.0
   41    49    52    53   0.26850 -1.0 2.0
   41    49   -52    61  -0.15000  1.0 1.0
   41    49   -52    61   0.89550 -1.0 2.0
   41    49   -52    61  -0.06900  1.0 3.0
   41    49    54    55   7.00000 -1.0 2.0
   41    49    54    56   7.00000 -1.0 2.0
   41    50    57    58   0.15000  1.0 3.0
   41    50    57    59   0.15000  1.0 3.0
   41    50    57    62   0.34400  1.0 1.0
   41    50    57    62   0.09450 -1.0 2.0
   41    50    57    62   0.11100  1.0 3.0
   41    50    60    63  -0.25900  1.0 1.0
   41    50    60    63  -0.47000 -1.0 2.0
   41    50    60    63   0.11750  1.0 3.0
   42    41    49    52   0.15000  1.0 3.0
   42    41    49    54   0.00000  1.0 1.0
   42    41    50    51   0.15000  1.0 3.0
   42    41    50    57   0.15000  1.0 3.0
   42    41    50    60   0.23400  1.0 3.0
   49    41    50    51   0.15000  1.0 3.0
   49    41    50    57   0.34400  1.0 1.0
   49    41    50    57   0.09450 -1.0 2.0
   49    41    50    57   0.11100  1.0 3.0
   49    41    50    60   0.61850  1.0 1.0
   49    41    50    60  -0.22750 -1.0 2.0
   49    41    50    60   0.15300  1.0 3.0
   49    52   -61    38   2.00000 -1.0 2.0
   52    49    54    55   7.00000 -1.0 2.0
   52    49    54    56   7.00000 -1.0 2.0
   53    52    61    38   3.00000 -1.0 2.0
   61    38    41    42   0.23400  1.0 3.0
   61    38   -41    49   0.61850  1.0 1.0
   61    38   -41    49  -0.22750 -1.0 2.0
   61    38   -41    49   0.15300  1.0 3.0
   61    38    41    50   0.62750  1.0 1.0
   61    38    41    50  -0.30950 -1.0 2.0
   61    38    41    50   0.27300  1.0 3.0
   54    49    52    53   1.00000 -1.0 2.0
   54    49    52    61  -0.56150  1.0 1.0
   54    49    52    61   2.19150 -1.0 2.0
   50    41    49    52   0.09700  1.0 1.0
   50    41    49    52   0.15600 -1.0 2.0
   50    41    49    52  -0.50800  1.0 3.0
   50    41    49    54   0.09850  1.0 1.0
   50    41    49    54   0.15250 -1.0 2.0
   50    41    49    54  -0.50650  1.0 3.0
   50    57    62    65   0.09850  1.0 1.0
   50    57    62    65   0.15250 -1.0 2.0
   50    57    62    65  -0.50650  1.0 3.0
   50    57    62    84   0.09700  1.0 1.0
   50    57    62    84   0.15600 -1.0 2.0
   50    57    62    84  -0.50800  1.0 3.0
   50    60    63    64   3.00000 -1.0 2.0
   50    60    63    67   2.00000 -1.0 2.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    62   0.15000  1.0 3.0
   51    50    60    63   0.08050  1.0 3.0
   57    50    60    63  -0.25900  1.0 1.0
   57    50    60    63  -0.47000 -1.0 2.0
   57    50    60    63   0.11750  1.0 3.0
   57    62    65    66   7.00000 -1.0 2.0
   57    62    65    69   7.00000 -1.0 2.0
   57    62    84    75  -0.15000  1.0 1.0
   57    62    84    75   0.89550 -1.0 2.0
   57    62    84    75  -0.06900  1.0 3.0
   57    62    84    85  -0.64400  1.0 1.0
   57    62    84    85   0.26850 -1.0 2.0
   58    57    62    65   0.00000  1.0 1.0
   58    57    62    84   0.15000  1.0 3.0
   59    57    62    65   0.00000  1.0 1.0
   59    57    62    84   0.15000  1.0 3.0
   62    65    69    70   0.00000  1.0 1.0
   62    65    69    72   0.09850  1.0 1.0
   62    65    69    72   0.15250 -1.0 2.0
   62    65    69    72  -0.50650  1.0 3.0
   62    65   -69    75   0.39000  1.0 1.0
   62    65   -69    75  -0.05800 -1.0 2.0
   62    65   -69    75  -0.55150  1.0 3.0
   65    62   -84    75  -0.56150  1.0 1.0
   65    62   -84    75   2.19150 -1.0 2.0
   65    62    84    85   1.00000 -1.0 2.0
   65    69    72    73   0.15000  1.0 3.0
   65    69    72    74   0.15000  1.0 3.0
   65    69    72    40   0.34400  1.0 1.0
   65    69    72    40   0.09450 -1.0 2.0
   65    69    72    40   0.11100  1.0 3.0
   65    69   -75    84  -0.82050  1.0 1.0
   65    69   -75    84   0.00600 -1.0 2.0
   65    69   -75    84   0.04400  1.0 3.0
   66    65    69    70   0.33100  1.0 3.0
   66    65    69    72   0.00000  1.0 1.0
   66    65    69    75   0.00000  1.0 1.0
   69    72    40    33   0.56750  1.0 1.0
   69    72    40    33  -0.07550 -1.0 2.0
   69    72    40    33   0.20000  1.0 3.0
   69    72    40    43   0.56750  1.0 1.0
   69    72    40    43  -0.07550 -1.0 2.0
   69    72    40    43   0.20000  1.0 3.0
   69    72    40    47   0.86500  1.0 1.0
   69    72    40    47  -0.17500 -1.0 2.0
   69    72    40    47   0.20800  1.0 3.0
   69    75   -84    62   2.00000 -1.0 2.0
   69    75    84    85   3.00000 -1.0 2.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    40   0.15000  1.0 3.0
   70    69    75    84   0.08050  1.0 3.0
   72    69    75    84  -0.25900  1.0 1.0
   72    69    75    84  -0.47000 -1.0 2.0
   72    69    75    84   0.11750  1.0 3.0
   72    40    43    44   0.15000  1.0 3.0
   72    40    43    45   0.15000  1.0 3.0
   72    40    43    46   0.15000  1.0 3.0
   72    40    47    48  -0.11600  1.0 1.0
   72    40    47    48  -0.09450 -1.0 2.0
   72    40    47    48   0.21250  1.0 3.0
   73    72    40    33   0.15000  1.0 3.0
   73    72    40    43   0.15000  1.0 3.0
   73    72    40    47   0.23400  1.0 3.0
   74    72    40    33   0.15000  1.0 3.0
   74    72    40    43   0.15000  1.0 3.0
   74    72    40    47   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.56750  1.0 1.0
   40    33    38    41  -0.07550 -1.0 2.0
   40    33    38    41   0.20000  1.0 3.0
   40    33    38    61   0.62750  1.0 1.0
   40    33    38    61  -0.30950 -1.0 2.0
   40    33    38    61   0.27300  1.0 3.0
   43    40    47    48  -0.11600  1.0 1.0
   43    40    47    48  -0.09450 -1.0 2.0
   43    40    47    48   0.21250  1.0 3.0
   47    40    43    44   0.23400  1.0 3.0
   47    40    43    45   0.23400  1.0 3.0
   47    40    43    46   0.23400  1.0 3.0
   75    69    72    73   0.23400  1.0 3.0
   75    69    72    74   0.23400  1.0 3.0
   75    69    72    40   0.62750  1.0 1.0
   75    69    72    40  -0.30950 -1.0 2.0
   75    69    72    40   0.27300  1.0 3.0
   84    62    65    66   7.00000 -1.0 2.0
   84    62   -65    69   7.00000 -1.0 2.0
   60    50    57    58   0.23400  1.0 3.0
   60    50    57    59   0.23400  1.0 3.0
   60    50    57    62   0.61850  1.0 1.0
   60    50    57    62  -0.22750 -1.0 2.0
   60    50    57    62   0.15300  1.0 3.0
   60    63    67    68   1.63100 -1.0 2.0
   60    63    67    71  -0.56150  1.0 1.0
   60    63    67    71   2.19150 -1.0 2.0
   63    67    71    76   7.00000 -1.0 2.0
   63    67    71    80   7.00000 -1.0 2.0
   64    63    67    68   0.00000  1.0 1.0
   64    63    67    71   1.00000 -1.0 2.0
   67    71    76    77   0.00000  1.0 1.0
   67    71    76    78   0.00000  1.0 1.0
   67    71    76    79   0.00000  1.0 1.0
   67    71    80    81   0.00000  1.0 1.0
   67    71    80    82   0.00000  1.0 1.0
   67    71    80    83   0.00000  1.0 1.0
   68    67    71    76   7.00000 -1.0 2.0
   68    67    71    80   7.00000 -1.0 2.0
   76    71    80    81   0.34800  1.0 3.0
   76    71    80    82   0.34800  1.0 3.0
   76    71    80    83   0.34800  1.0 3.0
   80    71    76    77   0.34800  1.0 3.0
   80    71    76    78   0.34800  1.0 3.0
   80    71    76    79   0.34800  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
   41    52    49    54   1.10000 -1.0 2.0
   49    61    52    53  10.50000 -1.0 2.0
   55    56    54    49   1.10000 -1.0 2.0
   57    84    62    65   1.10000 -1.0 2.0
   69    66    65    62   1.10000 -1.0 2.0
   62    75    84    85  10.50000 -1.0 2.0
   60    67    63    64  10.50000 -1.0 2.0
   63    68    67    71  15.00000 -1.0 2.0
   76    80    71    67  15.00000 -1.0 2.0
END
