* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    156    251     459
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02072    67.14999    71.94518
    3     1 S   H    _H1_     3     1.02136    45.68547  -134.16331
    4     1 S   H    _H2_     4     1.02104   104.92440   -32.39040
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08639   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97283
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C24    36     1.82829    99.56864  -178.17458
   34    33 S   HC   _H6_    37     1.09398   108.15043   -38.72175
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   CM   _C6_    38     1.52815   109.41618  -159.98747
   39    33 S   OH   _O34    83     1.42597   112.13014    78.26333
   40    39 S   HO   _H25    84     0.97096   107.31898   -58.33139
   41    38 S   CMA  _C5_    39     1.36806   123.03768   -60.52006
   42    41 S   OM   _O35    40     1.27014   125.53828  -178.10163
   43    38 S   CT   _C7_    46     1.50170   114.58610   119.90936
   44    43 S   HC   _H3_    47     1.09885   106.97676   179.53186
   45    41 S   OS   _O33    41     1.42078   111.74942     0.31279
   46    43 S   CT   _C8_    48     1.53495   109.76767   -63.41846
   47    46 S   HC   _H10    49     1.09980   110.35091    66.87802
   48    46 S   HC   _H11    50     1.09940   109.60465   -49.46954
   49    43 S   CT   _C21    76     1.53662   111.09195    59.53535
   50    49 S   HC   _H5_    77     1.09889   110.33177   -45.97912
   51    45 S   CT   _C4_    42     1.42791   113.83588  -119.97874
   52    51 S   HC   _H7_    43     1.09298   109.54201   179.96574
   53    51 S   HC   _H8_    44     1.09307   109.52497    59.21123
   54    51 S   HC   _H9_    45     1.09253   108.96904   -60.42038
   55    46 S   CT   _C9_    51     1.52854   111.14706  -169.89436
   56    55 S   HC   _H4_    52     1.09618   111.26973    59.89584
   57    49 S   CM   _C22    78     1.49647   112.33156    74.95341
   58    57 S   HC   _H22    79     1.08685   117.19891    57.89005
   59    55 S   C5A  _C10    53     1.49296   112.18998  -177.46982
   60    57 S   CM   _C23    80     1.33772   124.01932  -122.08536
   61    60 S   HC   _H23    81     1.08433   120.41228  -179.97202
   62    60 S   HC   _H24    82     1.08448   121.56651    -0.05595
   63    59 S   C5B  _C11    54     1.46714   124.68471   121.90002
   64    59 S   NA   _N4_    65     1.28841   124.48390   -60.37489
   65    64 S   H    _H16    66     1.01799   127.74036     1.17969
   66    63 S   C56B _C12    55     1.44239   105.44282   178.68686
   67    63 S   CT   _C18    67     1.47309   121.69865     0.08393
   68    67 S   HC   _H17    68     1.09607   110.92393   145.91425
   69    67 S   HC   _H18    69     1.09641   109.02259   -96.08463
   70    66 S   CA   _C13    56     1.37788   134.42385   179.93147
   71    70 S   HA   _H12    57     1.08327   121.87008    -0.28871
   72    67 S   CT   _C19    70     1.53142   110.15612    24.67581
   73    72 S   HC   _H19    71     1.09554   111.64456    69.56155
   74    72 S   HC   _H20    72     1.09392   110.77298  -169.15741
   75    70 S   CA   _C14    58     1.39953   117.27842   179.76344
   76    75 S   HA   _H13    59     1.08810   119.45681   179.92087
   77    55 S   NIP  _N5_    73     1.48714   109.94509   -57.90170
   78    75 S   CA   _C15    60     1.41172   121.30183    -0.09279
   79    78 S   HA   _H14    61     1.08695   119.27949  -179.96044
   80    77 S   CG   _C20    74     1.56547   119.53137    28.62733
   81    80 S   HC   _H21    75     1.10141   119.53785   177.66477
   82    78 S   CA   _C16    62     1.39703   121.14101     0.00000
   83    82 S   HA   _H15    63     1.08421   120.91286  -179.94766
   84    66 S   C56A _C17    64     1.40940   104.50722    -0.39565
  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   7   5   4   3
  11   5   2   1   1  16   3   1  10   3  16   8   4  13   6   5
  11   6   3   2   1   1  14   6   7   4  13   3   1   1  15   9
   3  12   9   5   4   7   4   5   3   2   6   3   2   4   3   1
   1   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    43    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    43    44    46    49    39    40  
   38    41    43    39    40  
   36    37  
   37  
    0  
   41    42    45    51    43    44    46    47    48    55    80    49    50    57    39    40  
   40    41    43  
    0  
   42    45    51    52    53    54    43    44    46    49  
   45    51    43  
   44    46    47    48    55    56    59    77    80    81    49    50    57    58    60    45  
   46    47    48    55    80    49    50    57  
   51    52    53    54  
   47    48    55    56    59    63    64    72    77    80    49    50    57  
   48    55    56    59    77    49  
   55    56    59    77    49  
   50    57    58    60    61    62    55    72    77    80    81  
   57    58    60    77    80    81  
   52    53    54  
   53    54  
   54  
    0  
   56    59    63    66    84    64    65    67    72    73    74    77    80    81  
   59    63    64    72    77    80  
   58    60    61    62    77    80    81  
   60    61    62    80  
   63    66    70    82    84    64    65    67    68    69    72    77    80  
   61    62    80  
   62  
    0  
   66    70    71    75    82    84    64    65    67    68    69    72    73    74    77  
   65    67    77    66    70    78    82    83    84  
   66    82    84  
   70    71    75    76    78    82    83    84    67    68    69    72  
   68    69    72    73    74    77    80    70    84  
   69    72    73    74    77  
   72    73    74    77  
   71    75    76    78    79    82    84  
   75    76    78    84  
   73    74    77    80    81  
   74    77    80  
   77    80  
   76    78    79    82    83    84  
   78    79    82  
   80    81  
   79    82    83    84  
   82    83    84  
   81  
    0  
   83    84  
   84  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.275700   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.461700   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   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   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   65   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.286700   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   77   3.2500   0.1700  -0.349900   1.9050   1.6860   0.051222218  -2.220205820
   78   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   80   3.7500   0.1050  -0.072300   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    41   465.000  1.376
   38    43   317.000  1.510
   41    42   745.000  1.250
   41    45   440.000  1.360
   45    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    55   268.000  1.529
   55    56   340.000  1.090
   55    59   295.000  1.489
   55    77   280.000  1.462
   59    63   520.000  1.370
   59    64   427.000  1.381
   63    66   380.000  1.440
   63    67   295.000  1.494
   66    70   469.000  1.404
   66    84   447.000  1.419
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    76   367.000  1.080
   75    78   469.000  1.400
   78    79   367.000  1.080
   78    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    64   428.000  1.380
   64    65   434.000  1.010
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   280.000  1.462
   77    80   635.000  1.286
   80    81   385.000  1.083
   80    49   290.000  1.488
   49    50   340.000  1.090
   49    57   317.000  1.510
   57    58   340.000  1.080
   57    60   549.000  1.340
   60    61   340.000  1.080
   60    62   340.000  1.080
   39    40   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  112.20000
   29    33    39    85.00000  114.68000
   33    38    41    70.00000  124.00000
   33    38    43    65.00000  117.92700
   33    39    40    55.00000  108.50000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    45    80.00000  120.01400
   38    43    44    35.00000  109.50000
   38    43    46    70.00000  112.02700
   38    43    49    70.00000  112.02700
   41    45    51    90.00000  111.18400
   45    41    42    65.00000  121.00000
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   45    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
   43    38    41    70.00000  124.00000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    55    58.35000  112.70000
   43    49    80    70.00000  109.02000
   43    49    50    37.50000  110.70000
   43    49    57    70.00000  112.02700
   46    43    44    37.50000  110.70000
   46    55    56    37.50000  110.70000
   46    55    59    70.00000  113.44400
   46    55    77    75.00000  111.57000
   48    46    47    33.00000  107.80000
   55    46    47    37.50000  110.70000
   55    46    48    37.50000  110.70000
   55    59    63    55.00000  130.44200
   55    59    64    65.00000  122.56900
   55    77    72    75.00000  117.54700
   55    77    80    70.00000  122.59000
   59    55    56    45.00000  110.47400
   59    63    66    80.00000  105.82900
   59    63    67    55.00000  127.77900
   59    64    84    90.00000  107.14200
   59    64    65    35.00000  120.00000
   63    66    70    50.00000  134.85500
   63    66    84    80.00000  107.43600
   63    67    68    45.00000  111.11700
   63    67    69    45.00000  111.11700
   63    67    72    70.00000  112.62400
   66    70    71    35.00000  120.00000
   66    70    75    63.00000  120.00000
   66    84    82    85.00000  122.70000
   66    84    64    70.00000  104.40000
   70    75    76    35.00000  120.00000
   70    75    78    63.00000  120.00000
   75    70    71    35.00000  120.00000
   75    78    79    35.00000  120.00000
   75    78    82    63.00000  120.00000
   78    75    76    35.00000  120.00000
   78    82    83    35.00000  120.00000
   78    82    84    85.00000  120.00000
   82    78    79    35.00000  120.00000
   82    84    64    70.00000  132.80000
   84    66    70    85.00000  116.20000
   84    82    83    35.00000  120.00000
   84    64    65    35.00000  123.10000
   64    59    63    70.00000  106.30000
   67    63    66    55.00000  128.73000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    77    75.00000  111.57000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    77    80    70.00000  122.59000
   74    72    73    33.00000  107.80000
   77    55    56    50.00000  106.46400
   77    55    59    80.00000  109.62000
   77    72    73    50.00000  106.46400
   77    72    74    50.00000  106.46400
   77    80    81    45.00000  118.03900
   77    80    49    70.00000  120.65200
   80    49    50    45.00000  109.33400
   80    49    57    70.00000  110.51600
   49    43    44    37.50000  110.70000
   49    43    46    58.35000  112.70000
   49    80    81    35.00000  121.91500
   49    57    58    35.00000  117.00000
   49    57    60    70.00000  124.00000
   57    49    50    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    62    35.00000  120.00000
   60    57    58    35.00000  120.00000
   62    60    61    35.00000  117.00000
   39    33    34    35.00000  109.50000
   39    33    38    90.00000  110.39200
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    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    43   0.30250  1.0 1.0
   29    33    38    43  -0.14950 -1.0 2.0
   29    33    38    43   0.36900  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    43    44   0.34800  1.0 3.0
   33    38    43    46   0.46850  1.0 1.0
   33    38    43    46   0.08550 -1.0 2.0
   33    38    43    46   0.09800  1.0 3.0
   33    38    43    49   0.46850  1.0 1.0
   33    38    43    49   0.08550 -1.0 2.0
   33    38    43    49   0.09800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.34800  1.0 3.0
   34    33    39    40   0.19450  1.0 3.0
   38    33    39    40  -0.07800  1.0 1.0
   38    33    39    40  -0.21500 -1.0 2.0
   38    33    39    40  -0.03150  1.0 3.0
   38    41    45    51  -2.26850  1.0 1.0
   38    41    45    51   3.39050 -1.0 2.0
   38    43    46    47   0.15000  1.0 3.0
   38    43    46    48   0.15000  1.0 3.0
   38    43    46    55   0.34400  1.0 1.0
   38    43    46    55   0.09450 -1.0 2.0
   38    43    46    55   0.11100  1.0 3.0
   38    43    49    80   0.31000  1.0 1.0
   38    43    49    80   0.14700 -1.0 2.0
   38    43    49    80   0.07550  1.0 3.0
   38    43    49    50   0.15000  1.0 3.0
   38    43    49    57   0.31000  1.0 1.0
   38    43    49    57   0.14700 -1.0 2.0
   38    43    49    57   0.07550  1.0 3.0
   41    38    43    44   0.00000  1.0 1.0
   41    38    43    46   0.09850  1.0 1.0
   41    38    43    46   0.15250 -1.0 2.0
   41    38    43    46  -0.50650  1.0 3.0
   41    38    43    49   0.09850  1.0 1.0
   41    38    43    49   0.15250 -1.0 2.0
   41    38    43    49  -0.50650  1.0 3.0
   41    45    51    52   0.08050  1.0 3.0
   41    45    51    53   0.08050  1.0 3.0
   41    45    51    54   0.08050  1.0 3.0
   42    41    45    51   2.00000 -1.0 2.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    45   7.00000 -1.0 2.0
   43    46    55    56   0.15000  1.0 3.0
   43    46    55    59  -0.03700  1.0 1.0
   43    46    55    59   0.37200 -1.0 2.0
   43    46    55    59  -0.47300  1.0 3.0
   43    46    55    77   0.56750  1.0 1.0
   43    46    55    77  -0.07550 -1.0 2.0
   43    46    55    77   0.20000  1.0 3.0
   43    49    57    58   0.00000  1.0 1.0
   43    49    57    60   0.09850  1.0 1.0
   43    49    57    60   0.15250 -1.0 2.0
   43    49    57    60  -0.50650  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    55   0.15000  1.0 3.0
   44    43    49    80   0.15000  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    57   0.15000  1.0 3.0
   46    43    49    80   0.34400  1.0 1.0
   46    43    49    80   0.09450 -1.0 2.0
   46    43    49    80   0.11100  1.0 3.0
   46    43    49    50   0.15000  1.0 3.0
   46    43    49    57   0.34400  1.0 1.0
   46    43    49    57   0.09450 -1.0 2.0
   46    43    49    57   0.11100  1.0 3.0
   46    55    59    63   0.04150 -1.0 2.0
   46    55    59    64   0.39850  1.0 1.0
   46    55    59    64   0.06450 -1.0 2.0
   46    55    59    64   0.32400  1.0 3.0
   46    55    77    72   0.00000  1.0 1.0
   46    55   -77    80   0.00000  1.0 1.0
   47    46    55    56   0.15000  1.0 3.0
   47    46    55    59   0.43200  1.0 3.0
   47    46    55    77   0.15000  1.0 3.0
   48    46    55    56   0.15000  1.0 3.0
   48    46    55    59   0.43200  1.0 3.0
   48    46    55    77   0.15000  1.0 3.0
   55    59    63    66   3.62500 -1.0 2.0
   55    59    63    67   3.62500 -1.0 2.0
   55    59    64    84   3.62500 -1.0 2.0
   55    59    64    65   2.00000 -1.0 2.0
   55    77    80    81   2.00000 -1.0 2.0
   55    77    80    49   2.00000 -1.0 2.0
   56    55    59    63   0.00000  1.0 1.0
   56    55    59    64   0.00000  1.0 1.0
   56    55    77    72   0.00000  1.0 1.0
   56    55    77    80  -0.22200  1.0 3.0
   59    55    77    72   0.00000  1.0 1.0
   59    55    77    80   0.00000  1.0 1.0
   59    63    66    70   3.62500 -1.0 2.0
   59    63   -66    84   3.50000 -1.0 2.0
   59    63    67    68   0.00000  1.0 1.0
   59    63    67    69   0.00000  1.0 1.0
   59    63   -67    72   0.04150 -1.0 2.0
   63    59   -64    84   3.62500 -1.0 2.0
   63    59    64    65   1.40000 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   63    66    70    75   3.62500 -1.0 2.0
   63    66    84    82   3.00000 -1.0 2.0
   63    66   -84    64   3.00000 -1.0 2.0
   63    67    72    73   0.43200  1.0 3.0
   63    67    72    74   0.43200  1.0 3.0
   63    67    72    77   0.56750  1.0 1.0
   63    67    72    77  -0.07550 -1.0 2.0
   63    67    72    77   0.20000  1.0 3.0
   66    63    67    68   0.00000  1.0 1.0
   66    63    67    69   0.00000  1.0 1.0
   66    63    67    72   0.04150 -1.0 2.0
   66    70    75    76   3.62500 -1.0 2.0
   66    70    75    78   3.62500 -1.0 2.0
   66    84   -64    59   3.62500 -1.0 2.0
   66    84    64    65   1.52500 -1.0 2.0
   70    66    84    82   3.00000 -1.0 2.0
   70    66    84    64   3.00000 -1.0 2.0
   70    75    78    79   3.62500 -1.0 2.0
   70    75   -78    82   3.62500 -1.0 2.0
   71    70    75    76   3.62500 -1.0 2.0
   71    70    75    78   3.62500 -1.0 2.0
   75    78    82    83   3.62500 -1.0 2.0
   75    78    82    84   3.62500 -1.0 2.0
   76    75    78    79   3.62500 -1.0 2.0
   76    75    78    82   3.62500 -1.0 2.0
   78    82   -84    66   3.62500 -1.0 2.0
   78    82    84    64   3.62500 -1.0 2.0
   79    78    82    83   3.62500 -1.0 2.0
   79    78    82    84   3.62500 -1.0 2.0
   82    84    64    59   3.62500 -1.0 2.0
   82    84    64    65   1.52500 -1.0 2.0
   83    82    84    66   3.62500 -1.0 2.0
   83    82    84    64   3.62500 -1.0 2.0
   84    66    70    71   3.50000 -1.0 2.0
   84    66   -70    75   3.50000 -1.0 2.0
   64    59   -63    66   3.62500 -1.0 2.0
   64    59    63    67   3.62500 -1.0 2.0
   67    63    66    70   3.62500 -1.0 2.0
   67    63    66    84   3.62500 -1.0 2.0
   67    72   -77    55   0.00000  1.0 1.0
   67    72    77    80   0.00000  1.0 1.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    77   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    77   0.15000  1.0 3.0
   72    77    80    81   2.00000 -1.0 2.0
   72    77    80    49   2.00000 -1.0 2.0
   73    72    77    55   0.00000  1.0 1.0
   73    72    77    80  -0.22200  1.0 3.0
   74    72    77    55   0.00000  1.0 1.0
   74    72    77    80  -0.22200  1.0 3.0
   77    55   -59    63   0.04300 -1.0 2.0
   77    55    59    64   0.04300 -1.0 2.0
   77    80   -49    43   0.00000  1.0 1.0
   77    80    49    50   0.00000  1.0 1.0
   77    80    49    57   0.00000  1.0 1.0
   80    49    57    58   0.00000  1.0 1.0
   80    49    57    60  -0.28300  1.0 1.0
   80    49    57    60   0.26700 -1.0 2.0
   80    49    57    60  -0.63300  1.0 3.0
   81    80    49    43   0.00000  1.0 1.0
   81    80    49    50   0.33100  1.0 3.0
   81    80    49    57   0.00000  1.0 1.0
   49    43    46    47   0.15000  1.0 3.0
   49    43    46    48   0.15000  1.0 3.0
   49    43   -46    55   0.56750  1.0 1.0
   49    43   -46    55  -0.07550 -1.0 2.0
   49    43   -46    55   0.20000  1.0 3.0
   49    57    60    61   7.00000 -1.0 2.0
   49    57    60    62   7.00000 -1.0 2.0
   50    49    57    58   0.33100  1.0 3.0
   50    49    57    60   0.00000  1.0 1.0
   58    57    60    61   7.00000 -1.0 2.0
   58    57    60    62   7.00000 -1.0 2.0
   39    33    38    41   0.67800  1.0 1.0
   39    33    38    41   0.47050 -1.0 2.0
   39    33    38    41  -0.62500  1.0 3.0
   39    33    38    43   0.18000  1.0 1.0
   39    33    38    43   0.16450 -1.0 2.0
   39    33    38    43   0.04450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    41  15.00000 -1.0 2.0
   42    45    41    38  15.00000 -1.0 2.0
   63    64    59    55   4.00000 -1.0 2.0
   66    67    63    59   4.00000 -1.0 2.0
   70    84    66    63   4.00000 -1.0 2.0
   75    71    70    66   1.10000 -1.0 2.0
   78    76    75    70   1.10000 -1.0 2.0
   82    79    78    75   1.10000 -1.0 2.0
   84    83    82    78   1.10000 -1.0 2.0
   82    64    84    66   4.00000 -1.0 2.0
   65    59    64    84   1.00000 -1.0 2.0
   55    72    77    80   1.00000 -1.0 2.0
   49    81    80    77  10.50000 -1.0 2.0
   49    58    57    60  15.00000 -1.0 2.0
   61    62    60    57  15.00000 -1.0 2.0
END
