* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    155    251     467
    1     0 S   NP   _N1_     1    28.80700    96.50939   -24.76989
    2     1 S   H    _HN1     2     1.02827    37.09378  -179.16514
    3     1 S   H    _H1_     3     1.02794   116.09286   -93.78619
    4     1 S   H    _H2_     4     1.02947    70.22552     7.58162
    5     1 S   CT   _CA1     5     1.50121   128.49483   108.39402
    6     5 S   HC   _HA1     6     1.09575   105.15796    97.22069
    7     5 S   CO3  _C1_     7     1.53758   112.51411   -22.98564
    8     7 S   O2Z  _O11     8     1.26375   115.00159   -41.68359
    9     7 S   O2Z  _O12     9     1.26238   114.93814   137.37187
   10     5 S   CT   _CB1    10     1.53062   107.40765  -144.80135
   11    10 S   HC   HB11    11     1.09842   109.29483   -49.44349
   12    10 S   HC   HB12    12     1.09811   110.48224    67.13792
   13    10 S   CT   _CG1    13     1.53030   112.66452  -170.38389
   14    13 S   HC   HG11    14     1.09565   110.75802   -68.12030
   15    13 S   HC   HG12    15     1.09670   109.67456    51.13515
   16    13 S   C    _CD1    16     1.51813   111.93873   171.62225
   17    16 S   O    _OE1    17     1.22759   123.16252    13.82424
   18    16 S   N    _N2_    18     1.38654   111.86785  -166.20520
   19    18 S   H    _HN2    19     1.01579   118.98461     0.93879
   20    18 S   CT1  _CA2    20     1.46215   123.32511   175.67491
   21    20 S   HC   _HA2    21     1.09745   109.29884     6.94690
   22    20 S   C    _C2_    22     1.53690   108.75674  -108.44571
   23    22 S   O    _O2_    23     1.23067   122.25924  -149.00509
   24    20 S   CT   _CB2    32     1.53440   111.74229   128.95773
   25    24 S   HC   HB21    33     1.09480   109.72213    56.05484
   26    24 S   HC   HB22    34     1.09371   109.61358   174.92379
   27    22 S   N    _N3_    24     1.38310   113.84279    38.50037
   28    27 S   H    _HN3    25     1.01541   119.64495    -3.13000
   29    24 S   S    _SG2    35     1.83128   111.17627   -64.53109
   30    27 S   CT   _CA3    26     1.45286   123.31392   177.25648
   31    30 S   HC   HA31    27     1.09547   107.51019   -65.06079
   32    30 S   HC   HA32    28     1.09555   108.01108    51.41621
   33    29 S   CT   _C13    36     1.86688   101.53376  -168.89032
   34    30 S   CO3  _C3_    29     1.52987   113.99892   173.42392
   35    34 S   O2Z  _O31    30     1.26390   116.06570    -0.19683
   36    34 S   O2Z  _O32    31     1.26423   114.42549   179.85196
   37    33 S   CO4  _C18    37     1.52786   106.72760   -62.29628
   38    37 S   O    _O35    38     1.23176   123.07021    88.03118
   39    33 S   CO4  _C12    70     1.54632   108.41609    60.94519
   40    39 S   O    _O33    71     1.23139   122.07970  -120.60696
   41    37 S   CM   _C17    39     1.48595   119.16471   -88.94168
   42    41 S   HC   _H15    40     1.08861   114.27996   174.89988
   43    39 S   CM   _C11    72     1.50048   118.24921    60.79901
   44    43 S   HC   _H14    73     1.08330   117.79395    -4.20747
   45    41 S   CMA  _C16    41     1.34410   126.29512    -3.66490
   46    45 S   OM   _O36    42     1.26145   129.39741   177.86788
   47    43 S   CM   _C10    74     1.34074   120.46162   173.62323
   48    47 S   HC   _H13    75     1.08738   120.47342    -0.03426
   49    45 S   CO4  _C15    43     1.51231   114.94961    -2.37364
   50    49 S   O    _O34    44     1.23382   121.77635   162.84341
   51    47 S   CA   _C9_    76     1.47206   123.97644  -177.85643
   52    33 S   CT   _C14    45     1.53750   109.48155   179.79537
   53    52 S   HC   _H3_    46     1.09776   110.53578   -52.77234
   54    51 S   CA   _C4_    77     1.40324   122.73504   -32.25622
   55    54 S   HA   _H9_    78     1.08728   121.07644     0.22117
   56    52 S   OS1  _O37    47     1.43298   109.00904  -173.96437
   57    54 S   CA   _C5_    79     1.39693   120.62323  -179.48111
   58    57 S   HA   _H10    80     1.08640   119.80022  -179.67736
   59    56 S   CO1  _C19    48     1.43281   113.35593   149.86935
   60    59 S   HC   _H4_    49     1.09776   109.05461    47.62618
   61    57 S   CA   _C6_    81     1.39071   119.71376     0.55883
   62    59 S   CT   _C20    50     1.53245   107.56136   167.11099
   63    62 S   HC   _H5_    51     1.09681   110.04635    52.90962
   64    61 S   CA   _C7_    82     1.39144   120.66084     0.34035
   65    64 S   HA   _H11    83     1.08604   121.01695   179.63363
   66    61 S   OH   _O43    86     1.36582   118.22219  -179.87180
   67    66 S   HO   _H22    87     0.97245   108.60836  -179.53606
   68    62 S   CT   _C21    52     1.53074   110.94779   174.74201
   69    68 S   HC   _H6_    53     1.09665   110.23741    73.24996
   70    62 S   OH5  _O42    68     1.42874   110.15071   -63.97475
   71    70 S   HO   _H21    69     0.97250   108.35419   -54.98423
   72    51 S   CA   _C8_    84     1.40372   118.56219   149.71568
   73    72 S   HA   _H12    85     1.08819   120.52940    -1.09235
   74    68 S   CT   _C22    54     1.53231   111.29043   -49.47871
   75    74 S   HC   _H7_    55     1.09712   108.97227   -71.57436
   76    68 S   OH5  _O41    66     1.42961   109.68744  -170.81111
   77    76 S   HO   _H20    67     0.97237   108.12120    59.46253
   78    74 S   CT   _C23    56     1.53258   110.86296    49.65630
   79    78 S   HC   _H8_    57     1.09821   111.02335    64.93635
   80    74 S   OH5  _O40    64     1.42602   109.73021   171.65273
   81    80 S   HO   _H19    65     0.97258   108.18246   -57.76033
   82    59 S   OS1  _O38    58     1.42820   110.11626   -73.33903
   83    78 S   CT   _C24    59     1.52993   111.43058  -174.19529
   84    83 S   HC   _H16    60     1.09464   110.87508    68.20687
   85    83 S   HC   _H17    61     1.09392   111.57165   -54.01296
   86    83 S   OH5  _O39    62     1.42473   109.12844  -173.08191
   87    86 S   HO   _H18    63     0.97266   106.97909  -175.77627
  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  11   5   4   3
  16   2   1   1  12   5  11   4   6   3   7   3   6   3   8   3
   5   3   9   6   2   8   4   8   7   3  13   6   6  12   7   5
   3   2   1  13   7   4   1   1   1  12   7   3   1   9   6   3
   1   4   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    52    53    56    39    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    45    49    50    52    53    56    59    39    40    43    44    47  
   35    36  
   36  
    0  
   38    41    42    45    46    49    52    53    56    39    40    43  
   41    42    45    52    39  
   40    43    44    47    48    51    41    49    52    53    56  
   43    44    47    52  
   42    45    46    49    50    52  
   45    46    49  
   44    47    48    51    54    72    52  
   47    48    51  
   46    49    50    52    53    56  
   49    50    52  
   48    51    54    55    57    64    72    73  
   51    54    72  
   50    52    53    56    59  
   52    53    56  
   54    55    57    58    61    64    65    72    73  
   53    56    59    60    62    82  
   56    59  
   55    57    58    61    64    72    73    66  
   57    58    61    72  
   59    60    62    63    68    78    82    70  
   58    61    64    65    72    66    67  
   61    64    66  
   60    62    63    68    69    74    78    79    82    83    76    70    71  
   62    63    68    78    82    70  
   64    65    72    73    66    67  
   63    68    69    74    75    78    82    80    76    77    70    71  
   68    69    74    82    76    70    71  
   65    72    73    66    67  
   72    73    66  
   67    72  
    0  
   69    74    75    78    79    82    83    80    81    76    77    70    71  
   74    75    78    80    76    77    70  
   71    74    76    82  
    0  
   73  
    0  
   75    78    79    82    83    84    85    86    80    81    76    77  
   78    79    82    83    80    81    76  
   77    78    80  
    0  
   79    82    83    84    85    86    87    80    81  
   82    83    84    85    86    80  
   81    82    83  
    0  
   83    84    85    86  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    52   268.000  1.529
   33    39   317.000  1.522
   37    38   570.000  1.229
   37    41   320.000  1.462
   41    42   340.000  1.080
   41    45   465.000  1.376
   45    46   745.000  1.250
   45    49   270.000  1.476
   49    50   570.000  1.229
   49    52   317.000  1.522
   52    53   340.000  1.090
   52    56   335.000  1.422
   56    59   370.000  1.399
   59    60   360.000  1.097
   59    62   255.000  1.525
   59    82   370.000  1.399
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    70   355.000  1.421
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    76   355.000  1.421
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    80   355.000  1.421
   78    79   340.000  1.090
   78    82   335.000  1.422
   78    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   355.000  1.421
   86    87   580.000  0.967
   80    81   580.000  0.967
   76    77   580.000  0.967
   70    71   580.000  0.967
   39    40   570.000  1.229
   39    43   320.000  1.462
   43    44   340.000  1.080
   43    47   549.000  1.340
   47    48   340.000  1.080
   47    51   320.000  1.460
   51    54   469.000  1.400
   51    72   469.000  1.400
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    64   469.000  1.400
   61    66   450.000  1.364
   64    65   367.000  1.080
   64    72   469.000  1.400
   72    73   367.000  1.080
   66    67   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  110.18000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  118.62400
   33    52    49    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    56    95.00000  107.88500
   33    39    40    80.00000  120.40000
   33    39    43    65.00000  118.62400
   37    41    42    40.00000  117.72500
   37    41    45    60.00000  125.92000
   41    37    38    80.00000  123.72100
   41    45    46    65.00000  137.10300
   41    45    49    65.00000  114.61000
   45    41    42    40.00000  120.50800
   45    49    50    80.00000  120.81000
   45    49    52    65.00000  118.62400
   49    45    46    85.00000  116.28000
   49    52    53    35.00000  109.50000
   49    52    56    90.00000  108.74100
   52    33    37    63.00000  111.10000
   52    49    50    80.00000  120.40000
   52    56    59    90.00000  112.10700
   56    52    53    55.00000  108.98800
   56    59    60    60.00000  105.75400
   56    59    62    90.00000  109.70700
   56    59    82   110.00000  113.16000
   59    62    63    45.00000  109.54000
   59    62    68    70.00000  111.10000
   59    62    70    90.00000  109.42000
   59    82    78    90.00000  112.10700
   62    59    60    45.00000  111.65000
   62    68    69    37.50000  110.70000
   62    68    74    58.35000  112.70000
   62    68    76    90.00000  111.45300
   62    70    71    65.00000  108.53500
   68    62    63    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    78    58.35000  112.70000
   68    74    80    90.00000  111.45300
   68    76    77    65.00000  108.53500
   74    68    69    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    82    95.00000  107.88500
   74    78    83    58.35000  112.70000
   74    80    81    65.00000  108.53500
   78    74    75    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    90.00000  111.45300
   82    59    60    60.00000  105.75400
   82    59    62    90.00000  109.70700
   82    78    79    55.00000  108.98800
   83    78    79    37.50000  110.70000
   83    78    82    95.00000  107.88500
   83    86    87    65.00000  108.53500
   85    83    84    33.00000  107.80000
   86    83    84    60.00000  109.39000
   86    83    85    60.00000  109.39000
   80    74    75    60.00000  109.39000
   80    74    78    90.00000  111.45300
   76    68    69    60.00000  109.39000
   76    68    74    90.00000  111.45300
   70    62    63    60.00000  109.39000
   70    62    68    90.00000  111.45300
   39    33    37    75.00000  107.99600
   39    33    52    63.00000  111.10000
   39    43    44    40.00000  117.72500
   39    43    47    65.00000  118.96000
   43    39    40    80.00000  123.72100
   43    47    48    35.00000  120.00000
   43    47    51    60.00000  123.20500
   47    43    44    35.00000  120.00000
   47    51    54    60.00000  120.93500
   47    51    72    60.00000  120.93500
   51    47    48    40.00000  117.26300
   51    54    55    35.00000  120.00000
   51    54    57    63.00000  120.00000
   51    72    64    63.00000  120.00000
   51    72    73    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    61    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    61    64    63.00000  120.00000
   57    61    66    70.00000  120.00000
   61    57    58    35.00000  120.00000
   61    64    65    35.00000  120.00000
   61    64    72    63.00000  120.00000
   61    66    67    35.00000  113.00000
   64    72    73    35.00000  120.00000
   72    51    54    63.00000  120.00000
   72    64    65    35.00000  120.00000
   66    61    64    70.00000  120.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    52    49   0.56750  1.0 1.0
   29    33    52    49  -0.07550 -1.0 2.0
   29    33    52    49   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   0.20000  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    43   0.65300  1.0 1.0
   29    33    39    43  -0.03850 -1.0 2.0
   29    33    39    43   0.33900  1.0 3.0
   33    37    41    42   0.04550  1.0 1.0
   33    37    41    42   0.83000 -1.0 2.0
   33    37    41    42  -0.04000  1.0 3.0
   33    37    41    45  -0.33500  1.0 1.0
   33    37    41    45   1.06600 -1.0 2.0
   33    37    41    45  -0.14000  1.0 3.0
   33    52    56    59   0.06250  1.0 1.0
   33    52    56    59  -0.01100 -1.0 2.0
   33    52    56    59   0.28050  1.0 3.0
   33    39    43    44   0.04550  1.0 1.0
   33    39    43    44   0.83000 -1.0 2.0
   33    39    43    44  -0.04000  1.0 3.0
   33    39    43    47  -0.33500  1.0 1.0
   33    39    43    47   1.06600 -1.0 2.0
   33    39    43    47  -0.14000  1.0 3.0
   37    33    52    49   0.11950  1.0 1.0
   37    33    52    49   0.20300 -1.0 2.0
   37    33    52    49  -0.70800  1.0 3.0
   37    33    52    53  -0.11250  1.0 3.0
   37    33    52    56  -0.09450  1.0 1.0
   37    33    52    56  -1.12950 -1.0 2.0
   37    33    52    56   0.54000  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    43   0.65300  1.0 1.0
   37    33    39    43  -0.03850 -1.0 2.0
   37    33    39    43   0.33900  1.0 3.0
   37    41    45    46   7.00000 -1.0 2.0
   37    41   -45    49   7.00000 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    45   1.00000 -1.0 2.0
   41    45    49    50   1.00000 -1.0 2.0
   41    45    49    52  -0.33500  1.0 1.0
   41    45    49    52   1.06600 -1.0 2.0
   41    45    49    52  -0.14000  1.0 3.0
   42    41    45    46   7.00000 -1.0 2.0
   42    41    45    49   7.00000 -1.0 2.0
   45    49   -52    33   0.65300  1.0 1.0
   45    49   -52    33  -0.03850 -1.0 2.0
   45    49   -52    33   0.33900  1.0 3.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    56   0.65300  1.0 1.0
   45    49    52    56  -0.03850 -1.0 2.0
   45    49    52    56   0.33900  1.0 3.0
   46    45    49    50  -0.11900  1.0 1.0
   46    45    49    50   0.76850 -1.0 2.0
   46    45    49    50   0.14100  1.0 3.0
   46    45    49    52   0.32450 -1.0 2.0
   46    45    49    52   0.17400  1.0 3.0
   49    52    56    59  -1.11000  1.0 1.0
   49    52    56    59   0.50250 -1.0 2.0
   49    52    56    59   0.47450  1.0 3.0
   50    49    52    33   0.30150 -1.0 2.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    56   0.30150 -1.0 2.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33   -37    41   0.65300  1.0 1.0
   52    33   -37    41  -0.03850 -1.0 2.0
   52    33   -37    41   0.33900  1.0 3.0
   52    33    39    40   0.30150 -1.0 2.0
   52    33    39    43   0.65300  1.0 1.0
   52    33    39    43  -0.03850 -1.0 2.0
   52    33    39    43   0.33900  1.0 3.0
   52    56    59    60   0.37050  1.0 3.0
   52    56    59    62   0.06250  1.0 1.0
   52    56    59    62  -0.01100 -1.0 2.0
   52    56    59    62   0.28050  1.0 3.0
   52    56    59    82  -0.12700  1.0 1.0
   52    56    59    82  -1.16200 -1.0 2.0
   52    56    59    82   0.58800  1.0 3.0
   53    52    56    59   0.37050  1.0 3.0
   56    59    62    63   0.23400  1.0 3.0
   56    59    62    68   0.62750  1.0 1.0
   56    59    62    68  -0.30950 -1.0 2.0
   56    59    62    68   0.27300  1.0 3.0
   56    59    62    70   1.51850  1.0 1.0
   56    59    82    78  -0.70400  1.0 1.0
   56    59    82    78  -0.90350 -1.0 2.0
   59    62    68    69   0.15000  1.0 3.0
   59    62    68    74   0.56750  1.0 1.0
   59    62    68    74  -0.07550 -1.0 2.0
   59    62    68    74   0.20000  1.0 3.0
   59    62    68    76  -0.47750  1.0 1.0
   59    62    70    71   0.29150  1.0 1.0
   59    62    70    71  -0.28350 -1.0 2.0
   59    62    70    71   0.43600  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    68   0.15000  1.0 3.0
   60    59    62    70   0.23400  1.0 3.0
   60    59    82    78   0.37050  1.0 3.0
   62    59    82    78   0.06250  1.0 1.0
   62    59    82    78  -0.01100 -1.0 2.0
   62    59    82    78   0.28050  1.0 3.0
   62    68    74    75   0.15000  1.0 3.0
   62    68   -74    78   0.56750  1.0 1.0
   62    68   -74    78  -0.07550 -1.0 2.0
   62    68   -74    78   0.20000  1.0 3.0
   62    68    74    80  -0.47750  1.0 1.0
   62    68    76    77   0.29150  1.0 1.0
   62    68    76    77  -0.28350 -1.0 2.0
   62    68    76    77   0.43600  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    74   0.15000  1.0 3.0
   63    62    68    76   0.23400  1.0 3.0
   63    62    70    71   0.19450  1.0 3.0
   68    62    70    71   0.29150  1.0 1.0
   68    62    70    71  -0.28350 -1.0 2.0
   68    62    70    71   0.43600  1.0 3.0
   68    74    78    79   0.15000  1.0 3.0
   68    74    78    82   0.62750  1.0 1.0
   68    74    78    82  -0.30950 -1.0 2.0
   68    74    78    82   0.27300  1.0 3.0
   68    74    78    83   0.56750  1.0 1.0
   68    74    78    83  -0.07550 -1.0 2.0
   68    74    78    83   0.20000  1.0 3.0
   68    74    80    81   0.29150  1.0 1.0
   68    74    80    81  -0.28350 -1.0 2.0
   68    74    80    81   0.43600  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    78   0.15000  1.0 3.0
   69    68    74    80   0.23400  1.0 3.0
   69    68    76    77   0.19450  1.0 3.0
   74    68    76    77   0.29150  1.0 1.0
   74    68    76    77  -0.28350 -1.0 2.0
   74    68    76    77   0.43600  1.0 3.0
   74    78   -82    59   0.06250  1.0 1.0
   74    78   -82    59  -0.01100 -1.0 2.0
   74    78   -82    59   0.28050  1.0 3.0
   74    78    83    84   0.15000  1.0 3.0
   74    78    83    85   0.15000  1.0 3.0
   74    78    83    86  -0.47750  1.0 1.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    82   0.23400  1.0 3.0
   75    74    78    83   0.15000  1.0 3.0
   75    74    80    81   0.19450  1.0 3.0
   78    74    80    81   0.29150  1.0 1.0
   78    74    80    81  -0.28350 -1.0 2.0
   78    74    80    81   0.43600  1.0 3.0
   78    83    86    87   0.29150  1.0 1.0
   78    83    86    87  -0.28350 -1.0 2.0
   78    83    86    87   0.43600  1.0 3.0
   79    78    82    59   0.37050  1.0 3.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.23400  1.0 3.0
   82    59    62    63   0.23400  1.0 3.0
   82    59   -62    68   0.62750  1.0 1.0
   82    59   -62    68  -0.30950 -1.0 2.0
   82    59   -62    68   0.27300  1.0 3.0
   82    59    62    70   1.51850  1.0 1.0
   82    78    83    84   0.23400  1.0 3.0
   82    78    83    85   0.23400  1.0 3.0
   82    78    83    86   1.51850  1.0 1.0
   83    78    82    59   0.06250  1.0 1.0
   83    78    82    59  -0.01100 -1.0 2.0
   83    78    82    59   0.28050  1.0 3.0
   84    83    86    87   0.19450  1.0 3.0
   85    83    86    87   0.19450  1.0 3.0
   80    74    78    79   0.23400  1.0 3.0
   80    74    78    82   1.51850  1.0 1.0
   80    74    78    83  -0.47750  1.0 1.0
   76    68    74    75   0.23400  1.0 3.0
   76    68    74    78  -0.47750  1.0 1.0
   76    68    74    80   3.77950  1.0 1.0
   70    62    68    69   0.23400  1.0 3.0
   70    62    68    74  -0.47750  1.0 1.0
   70    62    68    76   3.77950  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    52    49   0.11950  1.0 1.0
   39    33    52    49   0.20300 -1.0 2.0
   39    33    52    49  -0.70800  1.0 3.0
   39    33    52    53  -0.11250  1.0 3.0
   39    33    52    56  -0.09450  1.0 1.0
   39    33    52    56  -1.12950 -1.0 2.0
   39    33    52    56   0.54000  1.0 3.0
   39    43    47    48   7.00000 -1.0 2.0
   39    43    47    51   7.00000 -1.0 2.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    47   1.00000 -1.0 2.0
   43    47    51    54   0.15800  1.0 1.0
   43    47    51    54   1.85350 -1.0 2.0
   43    47    51    54  -0.48700  1.0 3.0
   43    47    51    72   0.15800  1.0 1.0
   43    47    51    72   1.85350 -1.0 2.0
   43    47    51    72  -0.48700  1.0 3.0
   44    43    47    48   7.00000 -1.0 2.0
   44    43    47    51   7.00000 -1.0 2.0
   47    51    54    55   3.62500 -1.0 2.0
   47    51    54    57   3.62500 -1.0 2.0
   47    51    72    64   3.62500 -1.0 2.0
   47    51    72    73   3.62500 -1.0 2.0
   48    47    51    54   0.56550  1.0 3.0
   48    47    51    72   0.56550  1.0 3.0
   51    54    57    58   3.62500 -1.0 2.0
   51    54    57    61   3.62500 -1.0 2.0
   54    51    72    64   3.62500 -1.0 2.0
   54    51    72    73   3.62500 -1.0 2.0
   54    57   -61    64   3.62500 -1.0 2.0
   54    57    61    66   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   55    54    57    61   3.62500 -1.0 2.0
   57    61    64    65   3.62500 -1.0 2.0
   57    61    64    72   3.62500 -1.0 2.0
   57    61    66    67   0.84100 -1.0 2.0
   58    57    61    64   3.62500 -1.0 2.0
   58    57    61    66   3.62500 -1.0 2.0
   61    64   -72    51   3.62500 -1.0 2.0
   61    64    72    73   3.62500 -1.0 2.0
   64    61    66    67   0.84100 -1.0 2.0
   65    64    72    51   3.62500 -1.0 2.0
   65    64    72    73   3.62500 -1.0 2.0
   72    51    54    55   3.62500 -1.0 2.0
   72    51   -54    57   3.62500 -1.0 2.0
   66    61    64    65   3.62500 -1.0 2.0
   66    61    64    72   3.62500 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   37    42    41    45   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   45    52    49    50  10.50000 -1.0 2.0
   33    43    39    40  10.50000 -1.0 2.0
   39    44    43    47  15.00000 -1.0 2.0
   51    48    47    43  15.00000 -1.0 2.0
   54    72    51    47   4.00000 -1.0 2.0
   57    55    54    51   1.10000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   64    66    61    57   4.00000 -1.0 2.0
   72    65    64    61   1.10000 -1.0 2.0
   64    73    72    51   1.10000 -1.0 2.0
END
