* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    149    241     442
    1     0 S   NP   _N1_     1    32.22016   101.24542   -22.34918
    2     1 S   H    _HN1     2     1.02853    68.59406  -109.47335
    3     1 S   H    _H1_     3     1.02741    80.88494   137.80813
    4     1 S   H    _H2_     4     1.03482   171.56129   -42.59479
    5     1 S   CT   _CA1     5     1.50107    63.54965    18.84309
    6     5 S   HC   _HA1     6     1.09529   104.97088   125.17191
    7     5 S   CO3  _C1_     7     1.53830   113.20889     4.51597
    8     7 S   O2Z  _O11     8     1.26440   115.05456   -28.12679
    9     7 S   O2Z  _O12     9     1.26231   115.19836   151.42966
   10     5 S   CT   _CB1    10     1.53095   107.48851  -116.20029
   11    10 S   HC   HB11    11     1.09613   109.51336   -39.09209
   12    10 S   HC   HB12    12     1.09838   110.18381    76.45517
   13    10 S   CT   _CG1    13     1.53387   112.94903  -162.03445
   14    13 S   HC   HG11    14     1.09557   110.68083  -102.05039
   15    13 S   HC   HG12    15     1.09634   111.91052    17.34625
   16    13 S   C    _CD1    16     1.51475   109.91760   137.68837
   17    16 S   O    _OE1    17     1.22762   122.21292    98.01185
   18    16 S   N    _N2_    18     1.38366   112.18920   -79.36927
   19    18 S   H    _HN2    19     1.01847   119.08440    -5.22918
   20    18 S   CT1  _CA2    20     1.45978   123.45336   174.10518
   21    20 S   HC   _HA2    21     1.09654   108.73927    33.12218
   22    20 S   C    _C2_    22     1.53231   108.41143   -83.90633
   23    22 S   O    _O2_    23     1.23080   121.31428   150.59112
   24    20 S   CT   _CB2    32     1.53324   111.65217   156.81743
   25    24 S   HC   HB21    33     1.09304   109.36323    62.24973
   26    24 S   HC   HB22    34     1.09580   109.90253   179.84423
   27    22 S   N    _N3_    24     1.38414   114.11310   -36.99493
   28    27 S   H    _HN3    25     1.01593   119.16769     2.79533
   29    24 S   S    _SG2    35     1.83190   111.02384   -60.49559
   30    27 S   CT   _CA3    26     1.45217   123.45172  -177.22568
   31    30 S   HC   HA31    27     1.09553   108.13193   -47.98983
   32    30 S   HC   HA32    28     1.09545   107.32725    68.41945
   33    29 S   CT   _C23    36     1.88083   103.23010   152.15822
   34    33 S   OM   _O38    37     1.32052   111.76145    32.84737
   35    30 S   CO3  _C3_    29     1.53027   114.21427  -170.10115
   36    35 S   O2Z  _O31    30     1.26448   116.29600     2.60534
   37    35 S   O2Z  _O32    31     1.26418   114.44761  -177.65248
   38    33 S   CM   _C6_    38     1.53142   107.81166   -87.90445
   39    33 S   CT   _C22    67     1.57134   108.26284   151.28189
   40    39 S   HC   _H4_    68     1.10036   109.64288  -159.17674
   41    38 S   CMA  _C7_    39     1.36292   127.49966  -111.41483
   42    41 S   OM   _O33    40     1.27193   128.83522   174.26971
   43    39 S   OS   _O39    69     1.44427   113.36532   -38.45108
   44    38 S   CO4  _C5_    76     1.50934   118.89137    67.19193
   45    44 S   O    _O41    77     1.23128   121.29170   -91.14721
   46    41 S   CT   _C8_    41     1.58540   119.32805    -1.94421
   47    43 S   CT   _C24    70     1.41986   114.22220   -90.11376
   48    47 S   HC   _H15    71     1.09362   107.95944  -173.51384
   49    47 S   HC   _H16    72     1.09197   111.29027    68.27653
   50    47 S   HC   _H17    73     1.09413   110.93498   -55.14380
   51    44 S   CT   _C4_    78     1.50747   117.34944    88.31295
   52    51 S   HC   _H5_    79     1.09349   109.00918   128.98608
   53    51 S   HC   _H6_    80     1.09345   111.29189     9.90538
   54    51 S   HC   _H7_    81     1.09291   109.34900  -110.78409
   55    46 S   CMA  _C21    42     1.59930   116.84864  -101.39413
   56    55 S   OM   _O34    43     1.26666   111.88999   -33.57554
   57    46 S   OH   _O40    74     1.45347   108.48596   139.46422
   58    57 S   HO   _H18    75     0.97447   104.76464    44.20497
   59    55 S   CM   _C20    44     1.36824   119.16743   147.21941
   60    59 S   CM   _C11    45     1.46139   123.54578     0.46562
   61    59 S   CO4  _C19    56     1.52018   119.62930  -179.96044
   62    61 S   O    _O35    57     1.22637   123.96996   -15.96111
   63    60 S   CM   _C12    46     1.34167   122.12836  -169.49929
   64    63 S   HC   _H10    47     1.08606   120.57748   178.98163
   65    60 S   CT   _C10    62     1.49965   117.65294     8.86133
   66    65 S   HC   _H8_    63     1.09780   108.74948    81.73423
   67    65 S   HC   _H9_    64     1.09703   111.41575  -162.47411
   68    63 S   CA   _C13    48     1.46017   121.73478    -0.35166
   69    46 S   CT   _C9_    65     1.55396   109.00903    25.69560
   70    69 S   HC   _H3_    66     1.10002   109.36798    64.68770
   71    68 S   CA   _C14    49     1.40310   119.27747   175.00817
   72    71 S   HA   _H11    50     1.08752   120.21803    -0.60198
   73    71 S   CA   _C15    51     1.39318   119.97061   179.44398
   74    73 S   CA   _C16    52     1.38927   120.73880    -0.14537
   75    74 S   HA   _H12    53     1.08666   120.25096   179.98022
   76    73 S   OH   _O37    60     1.36625   121.08043   179.89913
   77    76 S   HO   _H14    61     0.97236   108.69866    -0.02798
   78    74 S   CA   _C17    54     1.39500   119.45784    -0.02798
   79    68 S   CA   _C18    55     1.40245   120.88215    -5.73945
   80    78 S   OH   _O36    58     1.36961   115.84645   179.84423
   81    80 S   HO   _H13    59     0.97456   108.60438   178.72145
  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
  15   7   2   1   1  15  17   6  13   5   8   6   4  12   4   2
   1   1   3   2   1   1  12   5   5   1  12  12   9   3  11   4
   5   3   2   8   1   1   8   4   7   7   4   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    41    69    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    65    69    70    39    40    43    47    44    45    51  
   38    41    69    39    40    43    44  
   36    37  
   37  
    0  
   41    42    46    55    69    39    40    43    57    44    45    51    52    53    54  
   40    43    47    48    49    50    57    44    41    46    55    60    65    66    67    69    70  
   43    47    46    65    69    70  
   42    46    55    56    59    65    69    70    57    58    44    45    51  
   46    55    69    57    44  
   47    48    49    50    46    65    69    70  
   45    51    52    53    54    46  
   51    52    53    54  
   55    56    59    60    61    65    66    67    69    70    57    58  
   48    49    50    69  
   49    50  
   50  
    0  
   52    53    54  
   53    54  
   54  
    0  
   56    59    60    63    79    61    62    65    69    70    57    58  
   59    60    61    69    57  
   58    59    65    69    70  
   69  
   60    63    64    68    78    79    61    62    65    66    67    69  
   63    64    68    71    79    61    62    65    66    67    69    70  
   62    80    65    63    68    71    74    78    79  
   68    78    79  
   64    68    71    72    73    78    79    65    66    67    69  
   68    71    79    65  
   66    67    69    70    68  
   67    69    70  
   69    70  
   71    72    73    74    78    79    80    76  
   70  
    0  
   72    73    74    75    78    79    76    77  
   73    74    79    76  
   74    75    78    79    80    76    77  
   75    78    79    80    81    76    77  
   78    79    80    76  
   77    78  
    0  
   79    80    81  
   80    81  
   81  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    44   320.000  1.462
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    55   270.000  1.512
   46    69   268.000  1.529
   46    57   320.000  1.410
   55    56   745.000  1.250
   55    59   465.000  1.376
   59    60   380.000  1.444
   59    61   320.000  1.462
   60    63   549.000  1.340
   60    65   317.000  1.510
   63    64   340.000  1.080
   63    68   320.000  1.460
   68    71   469.000  1.400
   68    79   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    76   450.000  1.364
   74    75   367.000  1.080
   74    78   469.000  1.400
   78    79   469.000  1.400
   78    80   450.000  1.364
   79    61   310.000  1.470
   61    62   570.000  1.229
   80    81   553.000  0.945
   76    77   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    39   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   57    58   553.000  0.945
   44    45   570.000  1.229
   44    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    44    65.00000  116.34900
   33    39    69    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    46    65.00000  122.18000
   38    44    45    80.00000  123.72100
   38    44    51    65.00000  118.62400
   41    46    55    70.00000  110.12100
   41    46    69    70.00000  112.02700
   41    46    57    90.00000  110.39200
   46    41    42    85.00000  112.85300
   46    55    56    85.00000  112.85300
   46    55    59    65.00000  122.18000
   46    69    65    58.35000  112.70000
   46    69    70    37.50000  110.70000
   46    69    39    58.35000  112.70000
   46    57    58    55.00000  108.50000
   55    59    60    70.00000  117.34000
   55    59    61    60.00000  125.92000
   59    55    56    65.00000  137.10300
   59    60    63    70.00000  123.01800
   59    60    65    70.00000  124.00000
   59    61    79    65.00000  117.02400
   59    61    62    80.00000  123.72100
   60    63    64    35.00000  120.00000
   60    63    68    60.00000  123.20500
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    69    70.00000  112.02700
   63    68    71    60.00000  120.93500
   63    68    79    60.00000  120.93500
   68    63    64    40.00000  117.26300
   68    71    72    35.00000  120.00000
   68    71    73    63.00000  120.00000
   68    79    78    63.00000  120.00000
   68    79    61    60.00000  119.52600
   71    73    74    63.00000  120.00000
   71    73    76    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  120.00000
   73    74    78    63.00000  120.00000
   73    76    77    35.00000  113.00000
   74    78    79    63.00000  120.00000
   74    78    80    70.00000  120.00000
   78    74    75    35.00000  120.00000
   78    79    61    60.00000  119.52600
   78    80    81    35.00000  113.00000
   79    68    71    63.00000  120.00000
   79    61    62    75.00000  123.78400
   61    59    60    65.00000  118.96000
   80    78    79    70.00000  120.00000
   76    73    74    70.00000  120.00000
   65    60    63    70.00000  124.00000
   65    69    70    37.50000  110.70000
   65    69    39    58.35000  112.70000
   67    65    66    33.00000  107.80000
   69    46    55    70.00000  112.02700
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    39    40    37.50000  110.70000
   69    39    43    50.00000  109.50000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    69    70    37.50000  110.70000
   39    43    47    60.00000  109.50000
   43    39    40    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   57    46    55    90.00000  110.39200
   57    46    69    50.00000  109.50000
   44    38    41    60.00000  125.92000
   44    51    52    35.00000  109.50000
   44    51    53    35.00000  109.50000
   44    51    54    35.00000  109.50000
   51    44    45    80.00000  120.40000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    44   0.09700  1.0 1.0
   29    33    38    44   0.15600 -1.0 2.0
   29    33    38    44  -0.50800  1.0 3.0
   29    33    39    69   0.44750  1.0 1.0
   29    33    39    69  -0.17800 -1.0 2.0
   29    33    39    69   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    46   7.00000 -1.0 2.0
   33    38    44    45  -0.64400  1.0 1.0
   33    38    44    45   0.26850 -1.0 2.0
   33    38    44    51   0.25700  1.0 1.0
   33    38    44    51   0.66200 -1.0 2.0
   33    38    44    51   0.04450  1.0 3.0
   33    39    43    47   0.06250  1.0 1.0
   33    39    43    47  -0.01100 -1.0 2.0
   33    39    43    47   0.28050  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    44   0.09700  1.0 1.0
   34    33    38    44   0.15600 -1.0 2.0
   34    33    38    44  -0.50800  1.0 3.0
   34    33    39    69   0.62750  1.0 1.0
   34    33    39    69  -0.30950 -1.0 2.0
   34    33    39    69   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.11900  1.0 1.0
   34    33    39    43  -1.16350 -1.0 2.0
   34    33    39    43  -0.34150  1.0 3.0
   38    33    39    69   0.34400  1.0 1.0
   38    33    39    69   0.09450 -1.0 2.0
   38    33    39    69   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.61850  1.0 1.0
   38    33    39    43  -0.22750 -1.0 2.0
   38    33    39    43   0.15300  1.0 3.0
   38    41    46    55  -0.28300  1.0 1.0
   38    41    46    55   0.26700 -1.0 2.0
   38    41    46    55  -0.63300  1.0 3.0
   38    41   -46    69   0.09850  1.0 1.0
   38    41   -46    69   0.15250 -1.0 2.0
   38    41   -46    69  -0.50650  1.0 3.0
   38    41    46    57   0.67800  1.0 1.0
   38    41    46    57   0.47050 -1.0 2.0
   38    41    46    57  -0.62500  1.0 3.0
   38    44    51    52   0.00000  1.0 1.0
   38    44    51    53   0.00000  1.0 1.0
   38    44    51    54   0.00000  1.0 1.0
   41    38    44    45   1.00000 -1.0 2.0
   41    38    44    51  -0.33500  1.0 1.0
   41    38    44    51   1.06600 -1.0 2.0
   41    38    44    51  -0.14000  1.0 3.0
   41    46    55    56   0.09700  1.0 1.0
   41    46    55    56   0.15600 -1.0 2.0
   41    46    55    56  -0.50800  1.0 3.0
   41    46    55    59  -0.28300  1.0 1.0
   41    46    55    59   0.26700 -1.0 2.0
   41    46    55    59  -0.63300  1.0 3.0
   41    46    69    65   0.34400  1.0 1.0
   41    46    69    65   0.09450 -1.0 2.0
   41    46    69    65   0.11100  1.0 3.0
   41    46    69    70   0.15000  1.0 3.0
   41    46    69    39   0.34400  1.0 1.0
   41    46    69    39   0.09450 -1.0 2.0
   41    46    69    39   0.11100  1.0 3.0
   41    46    57    58  -0.07800  1.0 1.0
   41    46    57    58  -0.21500 -1.0 2.0
   41    46    57    58  -0.03150  1.0 3.0
   42    41    46    55   0.09700  1.0 1.0
   42    41    46    55   0.15600 -1.0 2.0
   42    41    46    55  -0.50800  1.0 3.0
   42    41    46    69   0.09700  1.0 1.0
   42    41    46    69   0.15600 -1.0 2.0
   42    41    46    69  -0.50800  1.0 3.0
   42    41    46    57   0.09700  1.0 1.0
   42    41    46    57   0.15600 -1.0 2.0
   42    41    46    57  -0.50800  1.0 3.0
   46    55    59    60   7.00000 -1.0 2.0
   46    55    59    61   7.00000 -1.0 2.0
   46    69   -39    33   0.56750  1.0 1.0
   46    69   -39    33  -0.07550 -1.0 2.0
   46    69   -39    33   0.20000  1.0 3.0
   46    69    39    40   0.15000  1.0 3.0
   46    69    39    43   0.62750  1.0 1.0
   46    69    39    43  -0.30950 -1.0 2.0
   46    69    39    43   0.27300  1.0 3.0
   55    46    69    65   0.34400  1.0 1.0
   55    46    69    65   0.09450 -1.0 2.0
   55    46    69    65   0.11100  1.0 3.0
   55    46    69    70   0.15000  1.0 3.0
   55    46    69    39   0.34400  1.0 1.0
   55    46    69    39   0.09450 -1.0 2.0
   55    46    69    39   0.11100  1.0 3.0
   55    46    57    58  -0.07800  1.0 1.0
   55    46    57    58  -0.21500 -1.0 2.0
   55    46    57    58  -0.03150  1.0 3.0
   55    59    60    63   0.28850  1.0 1.0
   55    59    60    63   2.61350 -1.0 2.0
   55    59    60    63   0.78400  1.0 3.0
   55    59   -60    65  -0.18600  1.0 3.0
   55    59    61    79  -1.65800  1.0 1.0
   55    59    61    79   0.77650 -1.0 2.0
   55    59    61    62   1.00000 -1.0 2.0
   56    55    59    60   7.00000 -1.0 2.0
   56    55    59    61   7.00000 -1.0 2.0
   59    60    63    64   7.00000 -1.0 2.0
   59    60    63    68   7.00000 -1.0 2.0
   59    60    65    66   0.00000  1.0 1.0
   59    60    65    67   0.00000  1.0 1.0
   59    60    65    69   0.98200  1.0 1.0
   59    60    65    69  -0.11900 -1.0 2.0
   59    60    65    69   0.24250  1.0 3.0
   60    59    61    79  -1.65800  1.0 1.0
   60    59    61    79   0.77650 -1.0 2.0
   60    59    61    62   1.00000 -1.0 2.0
   60    63    68    71   0.15800  1.0 1.0
   60    63    68    71   1.85350 -1.0 2.0
   60    63    68    71  -0.48700  1.0 3.0
   60    63   -68    79   0.15800  1.0 1.0
   60    63   -68    79   1.85350 -1.0 2.0
   60    63   -68    79  -0.48700  1.0 3.0
   60    65   -69    46   0.34400  1.0 1.0
   60    65   -69    46   0.09450 -1.0 2.0
   60    65   -69    46   0.11100  1.0 3.0
   60    65    69    70   0.15000  1.0 3.0
   60    65    69    39   0.34400  1.0 1.0
   60    65    69    39   0.09450 -1.0 2.0
   60    65    69    39   0.11100  1.0 3.0
   63    60    65    66   0.00000  1.0 1.0
   63    60    65    67   0.00000  1.0 1.0
   63    60    65    69   0.09850  1.0 1.0
   63    60    65    69   0.15250 -1.0 2.0
   63    60    65    69  -0.50650  1.0 3.0
   63    68    71    72   3.62500 -1.0 2.0
   63    68    71    73   3.62500 -1.0 2.0
   63    68    79    78   3.62500 -1.0 2.0
   63    68    79    61   3.62500 -1.0 2.0
   64    63    68    71   0.56550  1.0 3.0
   64    63    68    79   0.56550  1.0 3.0
   68    71    73    74   3.62500 -1.0 2.0
   68    71    73    76   3.62500 -1.0 2.0
   68    79   -61    59  -0.11500  1.0 1.0
   68    79   -61    59   1.10450 -1.0 2.0
   68    79   -61    59  -0.48050  1.0 3.0
   68    79    61    62   1.05000 -1.0 2.0
   71    68    79    78   3.62500 -1.0 2.0
   71    68    79    61   3.62500 -1.0 2.0
   71    73    74    75   3.62500 -1.0 2.0
   71    73   -74    78   3.62500 -1.0 2.0
   71    73    76    77   0.84100 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    76   3.62500 -1.0 2.0
   73    74    78    79   3.62500 -1.0 2.0
   73    74    78    80   3.62500 -1.0 2.0
   74    73    76    77   0.84100 -1.0 2.0
   74    78   -79    68   3.62500 -1.0 2.0
   74    78    79    61   3.62500 -1.0 2.0
   74    78    80    81   0.84100 -1.0 2.0
   75    74    78    79   3.62500 -1.0 2.0
   75    74    78    80   3.62500 -1.0 2.0
   78    79    61    59  -0.11500  1.0 1.0
   78    79    61    59   1.10450 -1.0 2.0
   78    79    61    59  -0.48050  1.0 3.0
   78    79    61    62   1.05000 -1.0 2.0
   79    68    71    72   3.62500 -1.0 2.0
   79    68   -71    73   3.62500 -1.0 2.0
   79    78    80    81   0.84100 -1.0 2.0
   61    59   -60    63  -0.18600  1.0 3.0
   61    59    60    65   1.08500 -1.0 2.0
   80    78    79    68   3.62500 -1.0 2.0
   80    78    79    61   3.62500 -1.0 2.0
   76    73    74    75   3.62500 -1.0 2.0
   76    73    74    78   3.62500 -1.0 2.0
   65    60    63    64   7.00000 -1.0 2.0
   65    60    63    68   7.00000 -1.0 2.0
   65    69    39    33   0.56750  1.0 1.0
   65    69    39    33  -0.07550 -1.0 2.0
   65    69    39    33   0.20000  1.0 3.0
   65    69    39    40   0.15000  1.0 3.0
   65    69    39    43   0.62750  1.0 1.0
   65    69    39    43  -0.30950 -1.0 2.0
   65    69    39    43   0.27300  1.0 3.0
   66    65    69    46   0.15000  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    39   0.15000  1.0 3.0
   67    65    69    46   0.15000  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    39   0.15000  1.0 3.0
   69    46    55    56   0.09700  1.0 1.0
   69    46    55    56   0.15600 -1.0 2.0
   69    46    55    56  -0.50800  1.0 3.0
   69    46   -55    59   0.09850  1.0 1.0
   69    46   -55    59   0.15250 -1.0 2.0
   69    46   -55    59  -0.50650  1.0 3.0
   69    46    57    58  -0.11600  1.0 1.0
   69    46    57    58  -0.09450 -1.0 2.0
   69    46    57    58   0.21250  1.0 3.0
   69    39    43    47   0.06250  1.0 1.0
   69    39    43    47  -0.01100 -1.0 2.0
   69    39    43    47   0.28050  1.0 3.0
   70    69    39    33   0.15000  1.0 3.0
   70    69    39    40   0.15000  1.0 3.0
   70    69    39    43   0.23400  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    44   0.09700  1.0 1.0
   39    33    38    44   0.15600 -1.0 2.0
   39    33    38    44  -0.50800  1.0 3.0
   39    43    47    48   0.37050  1.0 3.0
   39    43    47    49   0.37050  1.0 3.0
   39    43    47    50   0.37050  1.0 3.0
   40    39    43    47   0.37050  1.0 3.0
   57    46    55    56   0.09700  1.0 1.0
   57    46    55    56   0.15600 -1.0 2.0
   57    46    55    56  -0.50800  1.0 3.0
   57    46    55    59   0.67800  1.0 1.0
   57    46    55    59   0.47050 -1.0 2.0
   57    46    55    59  -0.62500  1.0 3.0
   57    46    69    65   0.86500  1.0 1.0
   57    46    69    65  -0.17500 -1.0 2.0
   57    46    69    65   0.20800  1.0 3.0
   57    46    69    70   0.23400  1.0 3.0
   57    46    69    39   0.86500  1.0 1.0
   57    46    69    39  -0.17500 -1.0 2.0
   57    46    69    39   0.20800  1.0 3.0
   44    38    41    42   7.00000 -1.0 2.0
   44    38    41    46   7.00000 -1.0 2.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   45    44    51    54   0.00000  1.0 1.0
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    44    38    41   1.10000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   46    56    55    59   1.10000 -1.0 2.0
   60    61    59    55   1.10000 -1.0 2.0
   59    65    60    63   1.10000 -1.0 2.0
   68    64    63    60   1.10000 -1.0 2.0
   71    79    68    63   4.00000 -1.0 2.0
   73    72    71    68   1.10000 -1.0 2.0
   74    76    73    71   4.00000 -1.0 2.0
   78    75    74    73   1.10000 -1.0 2.0
   79    80    78    74   4.00000 -1.0 2.0
   78    61    79    68   4.00000 -1.0 2.0
   59    79    61    62  10.50000 -1.0 2.0
   38    51    44    45  10.50000 -1.0 2.0
END
