* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    159    253     466
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02053    75.58553    60.94903
    3     1 S   H    _H1_     3     1.02146    38.93861  -151.42577
    4     1 S   H    _H2_     4     1.02093   101.32008   -45.66849
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08639   110.48971    58.92616
   26    24 S   HC   HB22    34     1.08603   109.84388   179.00397
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C24    36     1.83097    99.69932  -180.00000
   34    33 S   HC   _H3_    37     1.09553   107.82215    59.93216
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C23    38     1.53962   113.22683  -177.41737
   39    38 S   HC   _H48    39     1.09704   110.75540   155.31130
   40    33 S   OH   _O25    84     1.42801   109.43363   -55.33694
   41    40 S   HO   _H51    85     0.97207   106.59729   175.55829
   42    38 S   CO4  _C15    40     1.52384   108.90472    38.87551
   43    42 S   O    _O24    41     1.22423   124.85201  -120.70038
   44    38 S   CT   _C20    47     1.53046   114.03217   -83.71678
   45    44 S   HC   _H41    48     1.09485   107.79648    73.96349
   46    42 S   OS   _O26    42     1.36685   109.43993    60.16862
   47    44 S   CM   _C13    49     1.50357   111.15537   -42.91731
   48    44 S   CT   _C17    75     1.53405   112.59632  -165.50401
   49    48 S   HC   _H36    76     1.12012   109.40733   -52.15572
   50    48 S   HC   _H37    77     1.11800   108.82469  -164.65110
   51    46 S   CT   _C22    43     1.43062   115.56468   179.17718
   52    51 S   HC   _H45    44     1.09207   109.58288   179.94065
   53    51 S   HC   _H46    45     1.09342   109.51549    59.12166
   54    51 S   HC   _H47    46     1.09252   108.96397   -60.40307
   55    47 S   CG   _C12    50     1.47474   117.44407   -86.06148
   56    55 S   HC   _H32    51     1.09803   118.44072   167.66578
   57    47 S   CM   _C14    78     1.33843   125.02935    93.69850
   58    57 S   HC   _H33    79     1.08465   118.65214  -179.80416
   59    55 S   NIP  _N23    52     1.28911   123.04594   -11.75411
   60    57 S   CT   _C21    80     1.49013   123.93191     0.21850
   61    60 S   HC   _H42    81     1.09427   109.87500   -90.05030
   62    60 S   HC   _H43    82     1.09471   112.29978   149.53508
   63    60 S   HC   _H44    83     1.09402   109.89313    29.09080
   64    59 S   CT   _C18    53     1.50958   121.00048   166.25531
   65    64 S   HC   _H38    54     1.08818   106.73441   132.86634
   66    64 S   HC   _H39    55     1.08714   109.78082    13.76456
   67    64 S   CT   _C16    56     1.54289   108.11780  -107.08734
   68    67 S   HC   _H34    57     1.09989   109.18760  -166.87958
   69    67 S   HC   _H35    58     1.10103   109.84119    76.13766
   70    67 S   C5B  _C9_    59     1.49991   111.99767   -44.48637
   71    70 S   C56B _C8_    60     1.42202   130.31633  -165.30536
   72    70 S   C5A  _C11    72     1.38393   122.12038    16.34136
   73    71 S   CA   _C6_    61     1.40990   134.40809     0.50163
   74    73 S   HA   _H30    62     1.08645   120.77684    -0.04423
   75    59 S   CT   _C19    73     1.52387   123.90637    -5.59871
   76    75 S   HC   _H40    74     1.13500   102.99357  -125.06102
   77    73 S   CA   _C4_    63     1.39922   119.28732   179.98022
   78    77 S   HA   _H28    64     1.08622   119.51471  -179.97202
   79    77 S   CA   _C5_    65     1.39304   120.76135     0.02798
   80    79 S   HA   _H29    66     1.08760   119.57867  -180.00000
   81    79 S   CA   _C7_    67     1.39767   121.04293    -0.05234
   82    81 S   HA   _H31    68     1.08484   120.92119  -179.90721
   83    71 S   C56A _C10    69     1.39901   106.90514  -179.47437
   84    83 S   NA   _N22    70     1.37908   107.50643    -0.08393
   85    84 S   H    _H50    71     1.01065   124.82291  -179.47661
  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   8   5   4   3
  12   6   2   1   1  16   8   3   1  10   3  15   7   4  14  11
   5   4   3   2   1   1  12   4   6   4  11   3   2   1   1  10
   6   5   9   4   3  11  12   7   8   4   4   1   6   3   5   3
   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    44    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    44    45    47    48    40    41  
   38    39    42    44    40    41  
   36    37  
   37  
    0  
   39    42    43    46    51    44    45    47    55    75    48    49    50    57    40    41  
   42    43    46    44    45    47    48    40  
   41    42    44  
    0  
   43    46    51    52    53    54    44    45    47    48  
   46    51    44  
   45    47    55    56    59    72    75    76    48    49    50    57    58    60    46  
   47    55    75    48    49    50    57  
   51    52    53    54  
   55    56    59    64    75    48    49    50    57    58    60    61    62    63  
   49    50    57    55    59    64    70    72    75    76    84  
   50    59    72    75    76  
   59    72    75    76  
   52    53    54  
   53    54  
   54  
    0  
   56    59    64    65    66    67    72    75    76    57    58    60  
   59    64    75    57  
   58    60    61    62    63    59  
   60    61    62    63  
   64    65    66    67    68    69    70    84    72    75    76  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    72    75    76  
   66    67    68    69    70    75  
   67    68    69    70    75  
   68    69    70    71    73    83    84    72    75  
   69    70    71    72  
   70    71    72  
   71    73    74    77    81    83    84    85    72    75    76  
   73    74    77    78    79    81    82    83    84    85    72    75  
   75    76    73    81    83    84    85  
   74    77    78    79    80    81    83    84  
   77    78    79    83  
   76    83    84    85  
   84  
   78    79    80    81    82    83  
   79    80    81  
   80    81    82    83    84  
   81    82    83  
   82    83    84    85  
   83    84  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.372500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.349900   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.286700   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.461700   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   84   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   85   0.5000   0.0300   0.357700   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   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    44   268.000  1.529
   42    43   570.000  1.229
   42    46   214.000  1.327
   46    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   44    45   340.000  1.090
   44    47   317.000  1.510
   44    48   268.000  1.529
   47    55   400.000  1.403
   47    57   549.000  1.340
   55    56   385.000  1.083
   55    59   635.000  1.286
   59    64   280.000  1.462
   59    75   280.000  1.462
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   295.000  1.494
   70    71   380.000  1.440
   70    72   520.000  1.370
   71    73   469.000  1.404
   71    83   447.000  1.419
   73    74   367.000  1.080
   73    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   428.000  1.380
   84    85   434.000  1.010
   84    72   427.000  1.381
   72    75   295.000  1.489
   75    76   340.000  1.090
   75    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   57    58   340.000  1.080
   57    60   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   40    41   553.000  0.945
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    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    44    58.35000  112.70000
   33    40    41    55.00000  108.50000
   38    33    34    37.50000  110.70000
   38    42    43    80.00000  120.40000
   38    42    46    81.00000  111.40000
   38    44    45    37.50000  110.70000
   38    44    47    70.00000  112.02700
   38    44    48    58.35000  112.70000
   42    38    39    35.00000  109.50000
   42    46    51    83.00000  116.90000
   46    42    43    83.00000  123.40000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   44    38    39    37.50000  110.70000
   44    38    42    63.00000  111.10000
   44    47    55    65.00000  117.22000
   44    47    57    70.00000  124.00000
   44    48    75    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   47    44    45    35.00000  109.50000
   47    55    56    40.00000  123.36000
   47    55    59    65.00000  126.03000
   47    57    58    35.00000  120.00000
   47    57    60    70.00000  124.00000
   55    59    64    70.00000  122.59000
   55    59    75    70.00000  122.59000
   59    55    56    45.00000  118.03900
   59    64    65    50.00000  106.46400
   59    64    66    50.00000  106.46400
   59    64    67    75.00000  111.57000
   59    75    72    80.00000  109.62000
   59    75    76    50.00000  106.46400
   59    75    48    75.00000  111.57000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  112.62400
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    55.00000  128.73000
   67    70    72    55.00000  127.77900
   69    67    68    33.00000  107.80000
   70    67    68    45.00000  111.11700
   70    67    69    45.00000  111.11700
   70    71    73    50.00000  134.85500
   70    71    83    80.00000  107.43600
   70    72    84    70.00000  106.30000
   70    72    75    55.00000  130.44200
   71    73    74    35.00000  120.00000
   71    73    77    63.00000  120.00000
   71    83    81    85.00000  122.70000
   71    83    84    70.00000  104.40000
   73    77    78    35.00000  120.00000
   73    77    79    63.00000  120.00000
   77    73    74    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    85.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    70.00000  132.80000
   83    71    73    85.00000  116.20000
   83    81    82    35.00000  120.00000
   83    84    85    35.00000  123.10000
   83    84    72    90.00000  107.14200
   84    72    75    65.00000  122.56900
   72    70    71    80.00000  105.82900
   72    84    85    35.00000  120.00000
   72    75    76    45.00000  110.47400
   72    75    48    70.00000  113.44400
   75    59    64    75.00000  117.54700
   75    48    49    37.50000  110.70000
   75    48    50    37.50000  110.70000
   48    44    45    37.50000  110.70000
   48    44    47    70.00000  112.02700
   48    75    76    37.50000  110.70000
   50    48    49    33.00000  107.80000
   57    47    55    65.00000  121.68800
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    63    35.00000  109.50000
   60    57    58    35.00000  117.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
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   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    44   0.44750  1.0 1.0
   29    33    38    44  -0.17800 -1.0 2.0
   29    33    38    44   0.20200  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    46   0.36750  1.0 3.0
   33    38    44    45   0.15000  1.0 3.0
   33    38    44    47   0.34400  1.0 1.0
   33    38    44    47   0.09450 -1.0 2.0
   33    38    44    47   0.11100  1.0 3.0
   33    38    44    48   0.56750  1.0 1.0
   33    38    44    48  -0.07550 -1.0 2.0
   33    38    44    48   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    38    44   0.15000  1.0 3.0
   34    33    40    41   0.19450  1.0 3.0
   38    33    40    41  -0.11600  1.0 1.0
   38    33    40    41  -0.09450 -1.0 2.0
   38    33    40    41   0.21250  1.0 3.0
   38    42    46    51   1.63150  1.0 1.0
   38    42    46    51   2.92000 -1.0 2.0
   38    44    47    55   0.09850  1.0 1.0
   38    44    47    55   0.15250 -1.0 2.0
   38    44    47    55  -0.50650  1.0 3.0
   38    44    47    57   0.09850  1.0 1.0
   38    44    47    57   0.15250 -1.0 2.0
   38    44    47    57  -0.50650  1.0 3.0
   38    44    48    75   0.56750  1.0 1.0
   38    44    48    75  -0.07550 -1.0 2.0
   38    44    48    75   0.20000  1.0 3.0
   38    44    48    49   0.15000  1.0 3.0
   38    44    48    50   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.00000  1.0 1.0
   39    38    44    45   0.15000  1.0 3.0
   39    38    44    47   0.15000  1.0 3.0
   39    38    44    48   0.15000  1.0 3.0
   42    38    44    45  -0.11250  1.0 3.0
   42    38    44    47  -0.98800  1.0 1.0
   42    38    44    47   0.48800 -1.0 2.0
   42    38    44    47   0.76800  1.0 3.0
   42    38    44    48  -0.95700  1.0 1.0
   42    38    44    48  -0.18200 -1.0 2.0
   42    38    44    48   0.29450  1.0 3.0
   42    46    51    52   0.08050  1.0 3.0
   42    46    51    53   0.08050  1.0 3.0
   42    46    51    54   0.08050  1.0 3.0
   43    42    46    51   3.00000 -1.0 2.0
   44    38    42    43   0.30150 -1.0 2.0
   44    38    42    46   0.36750  1.0 3.0
   44    47    55    56   7.00000 -1.0 2.0
   44    47    55    59   7.00000 -1.0 2.0
   44    47    57    58   7.00000 -1.0 2.0
   44    47    57    60   7.00000 -1.0 2.0
   45    44    47    55   0.00000  1.0 1.0
   45    44    47    57   0.00000  1.0 1.0
   45    44    48    75   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   47    44    48    75   0.34400  1.0 1.0
   47    44    48    75   0.09450 -1.0 2.0
   47    44    48    75   0.11100  1.0 3.0
   47    44    48    49   0.15000  1.0 3.0
   47    44    48    50   0.15000  1.0 3.0
   47    55    59    64   2.00000 -1.0 2.0
   47    55   -59    75   2.00000 -1.0 2.0
   47    57    60    61   0.00000  1.0 1.0
   47    57    60    62   0.00000  1.0 1.0
   47    57    60    63   0.00000  1.0 1.0
   55    47    57    58   7.00000 -1.0 2.0
   55    47    57    60   7.00000 -1.0 2.0
   55    59    64    65  -0.22200  1.0 3.0
   55    59    64    66  -0.22200  1.0 3.0
   55    59    64    67   0.00000  1.0 1.0
   55    59    75    72   0.00000  1.0 1.0
   55    59    75    76  -0.22200  1.0 3.0
   55    59    75    48   0.00000  1.0 1.0
   56    55    59    64   2.00000 -1.0 2.0
   56    55    59    75   2.00000 -1.0 2.0
   59    64    67    68   0.15000  1.0 3.0
   59    64    67    69   0.15000  1.0 3.0
   59    64    67    70   0.56750  1.0 1.0
   59    64    67    70  -0.07550 -1.0 2.0
   59    64    67    70   0.20000  1.0 3.0
   59    75   -48    44   0.56750  1.0 1.0
   59    75   -48    44  -0.07550 -1.0 2.0
   59    75   -48    44   0.20000  1.0 3.0
   59    75    48    49   0.15000  1.0 3.0
   59    75    48    50   0.15000  1.0 3.0
   64    59    75    72   0.00000  1.0 1.0
   64    59    75    76   0.00000  1.0 1.0
   64    59    75    48   0.00000  1.0 1.0
   64    67    70    71   0.04150 -1.0 2.0
   64    67   -70    72   0.04150 -1.0 2.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.43200  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.43200  1.0 3.0
   67    70    71    73   3.62500 -1.0 2.0
   67    70    71    83   3.62500 -1.0 2.0
   67    70    72    84   3.62500 -1.0 2.0
   67    70    72    75   3.62500 -1.0 2.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    72   0.00000  1.0 1.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    77   3.62500 -1.0 2.0
   70    71    83    81   3.00000 -1.0 2.0
   70    71   -83    84   3.00000 -1.0 2.0
   70    72   -75    59   0.04300 -1.0 2.0
   70    72    75    76   0.00000  1.0 1.0
   70    72    75    48   0.04150 -1.0 2.0
   71    70   -72    84   3.62500 -1.0 2.0
   71    70    72    75   3.62500 -1.0 2.0
   71    73    77    78   3.62500 -1.0 2.0
   71    73    77    79   3.62500 -1.0 2.0
   71    83    84    85   1.52500 -1.0 2.0
   71    83   -84    72   3.62500 -1.0 2.0
   73    71    83    81   3.00000 -1.0 2.0
   73    71    83    84   3.00000 -1.0 2.0
   73    77    79    80   3.62500 -1.0 2.0
   73    77   -79    81   3.62500 -1.0 2.0
   74    73    77    78   3.62500 -1.0 2.0
   74    73    77    79   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   77    79    81    83   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81   -83    71   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    83    84    85   1.52500 -1.0 2.0
   81    83    84    72   3.62500 -1.0 2.0
   82    81    83    71   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   83    71    73    74   3.50000 -1.0 2.0
   83    71   -73    77   3.50000 -1.0 2.0
   83    84   -72    70   3.62500 -1.0 2.0
   83    84    72    75   3.62500 -1.0 2.0
   84    72    75    59   0.04300 -1.0 2.0
   84    72    75    76   0.00000  1.0 1.0
   84    72    75    48   0.39850  1.0 1.0
   84    72    75    48   0.06450 -1.0 2.0
   84    72    75    48   0.32400  1.0 3.0
   85    84    72    70   1.40000 -1.0 2.0
   85    84    72    75   2.00000 -1.0 2.0
   72    70    71    73   3.62500 -1.0 2.0
   72    70   -71    83   3.50000 -1.0 2.0
   72    75    48    44  -0.03700  1.0 1.0
   72    75    48    44   0.37200 -1.0 2.0
   72    75    48    44  -0.47300  1.0 3.0
   72    75    48    49   0.43200  1.0 3.0
   72    75    48    50   0.43200  1.0 3.0
   75    59    64    65   0.00000  1.0 1.0
   75    59    64    66   0.00000  1.0 1.0
   75    59   -64    67   0.00000  1.0 1.0
   76    75    48    44   0.15000  1.0 3.0
   76    75    48    49   0.15000  1.0 3.0
   76    75    48    50   0.15000  1.0 3.0
   48    44   -47    55   0.09850  1.0 1.0
   48    44   -47    55   0.15250 -1.0 2.0
   48    44   -47    55  -0.50650  1.0 3.0
   48    44    47    57   0.09850  1.0 1.0
   48    44    47    57   0.15250 -1.0 2.0
   48    44    47    57  -0.50650  1.0 3.0
   57    47    55    56   1.36050 -1.0 2.0
   57    47    55    59   1.09700  1.0 1.0
   57    47    55    59   0.56350 -1.0 2.0
   57    47    55    59   0.49350  1.0 3.0
   58    57    60    61   0.33100  1.0 3.0
   58    57    60    62   0.33100  1.0 3.0
   58    57    60    63   0.33100  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    42  -0.09450  1.0 1.0
   40    33    38    42  -1.12950 -1.0 2.0
   40    33    38    42   0.54000  1.0 3.0
   40    33    38    44   0.86500  1.0 1.0
   40    33    38    44  -0.17500 -1.0 2.0
   40    33    38    44   0.20800  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   38    46    42    43  10.50000 -1.0 2.0
   44    55    47    57   1.10000 -1.0 2.0
   47    56    55    59  10.50000 -1.0 2.0
   64    75    59    55   1.00000 -1.0 2.0
   71    72    70    67   4.00000 -1.0 2.0
   73    83    71    70   4.00000 -1.0 2.0
   77    74    73    71   1.10000 -1.0 2.0
   79    78    77    73   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   81    84    83    71   4.00000 -1.0 2.0
   85    83    84    72   1.00000 -1.0 2.0
   84    75    72    70   4.00000 -1.0 2.0
   60    58    57    47   1.10000 -1.0 2.0
END
