* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    157    247     472
    1     0 S   NP   _N1_     1    29.08456    95.19304   -18.48627
    2     1 S   H    _HN1     2     1.02779    71.15495   -83.00156
    3     1 S   H    _H1_     3     1.02960    95.87772    24.37735
    4     1 S   H    _H2_     4     1.02841    44.42584   132.78042
    5     1 S   CT   _CA1     5     1.50085   149.64756   174.96001
    6     5 S   HC   _HA1     6     1.09558   105.33696    29.13194
    7     5 S   CO3  _C1_     7     1.53871   112.27688   -91.41133
    8     7 S   O2Z  _O11     8     1.26371   115.00308   -45.24114
    9     7 S   O2Z  _O12     9     1.26225   114.95769   134.11281
   10     5 S   CT   _CB1    10     1.53093   107.48735   147.32784
   11    10 S   HC   HB11    11     1.09818   109.72268   -48.41780
   12    10 S   HC   HB12    12     1.09834   110.24249    68.20444
   13    10 S   CT   _CG1    13     1.53030   112.56999  -169.43387
   14    13 S   HC   HG11    14     1.09544   110.49847   -55.83965
   15    13 S   HC   HG12    15     1.09616   110.14716    63.27098
   16    13 S   C    _CD1    16     1.51777   112.00469  -176.41302
   17    16 S   O    _OE1    17     1.22729   123.14909   -12.82691
   18    16 S   N    _N2_    18     1.38568   111.72434   167.49929
   19    18 S   H    _HN2    19     1.01588   119.06244     1.99812
   20    18 S   CT1  _CA2    20     1.46196   123.38703  -177.15380
   21    20 S   HC   _HA2    21     1.09728   109.38853   -14.23503
   22    20 S   C    _C2_    22     1.53385   108.29616  -130.00633
   23    22 S   O    _O2_    23     1.23007   122.26678  -145.36831
   24    20 S   CT   _CB2    32     1.53453   111.26657   107.83234
   25    24 S   HC   HB21    33     1.09494   109.83740    56.60171
   26    24 S   HC   HB22    34     1.09528   110.50135   174.51438
   27    22 S   N    _N3_    24     1.38518   113.32839    41.95634
   28    27 S   H    _HN3    25     1.01529   118.92257    -0.51662
   29    24 S   S    _SG2    35     1.83097   111.80056   -66.75753
   30    27 S   CT   _CA3    26     1.45453   123.43259   175.12693
   31    30 S   HC   HA31    27     1.09525   109.22248    24.58294
   32    30 S   HC   HA32    28     1.09496   107.12068   141.58745
   33    29 S   CT   _C10    36     1.85644   100.71412   137.54745
   34    33 S   HC   _H5_    37     1.09917   103.41159    33.14746
   35    30 S   CO3  _C3_    29     1.52932   113.14237   -98.88413
   36    35 S   O2Z  _O31    30     1.26402   115.41947   -43.97011
   37    35 S   O2Z  _O32    31     1.26358   114.97258   136.97207
   38    33 S   CT   _C11    38     1.55383   109.01314   -77.05825
   39    38 S   HC   _H12    39     1.09660   108.92456   165.17317
   40    38 S   HC   _H13    40     1.09858   108.82061    53.64391
   41    33 S   CT   _C9_    63     1.60344   112.79413   145.17878
   42    38 S   CT   _C12    41     1.53256   119.58261   -69.00645
   43    42 S   HC   _H14    42     1.09790   108.79857  -177.64225
   44    42 S   HC   _H15    43     1.09510   110.71174    67.20233
   45    41 S   CO   _C18    64     1.56805   116.88708    40.75614
   46    45 S   HC   _H7_    65     1.09299   111.63371   -39.03547
   47    41 S   OH   _O37    72     1.46808   102.57062   -70.42590
   48    47 S   HO   _H20    73     0.97175   108.93827   -61.44831
   49    42 S   CM   _C13    44     1.49764   111.23872   -56.65011
   50    45 S   OS   _O35    66     1.41398   115.91074    87.30868
   51    45 S   OH   _O36    70     1.43791   108.69128  -153.44928
   52    51 S   HO   _H19    71     0.97146   106.84506   153.09233
   53    49 S   CM   _C14    45     1.34896   120.07050   -74.93593
   54    53 S   HC   _H16    46     1.08898   118.68977    -6.92892
   55    49 S   CT   _C17    67     1.49927   114.92647    97.32770
   56    55 S   HC   _H17    68     1.09524   113.46814     3.96719
   57    55 S   HC   _H18    69     1.09619   108.55735   121.60644
   58    53 S   CT   _C15    47     1.49839   124.98398   163.55557
   59    58 S   HC   _H6_    48     1.09577   111.70961    18.78139
   60    58 S   CT   _C6_    49     1.53343   113.26545  -108.27417
   61    60 S   HC   _H3_    50     1.10195   109.89549   -50.86347
   62    60 S   CM   _C5_    51     1.50170    96.53368  -159.44792
   63    60 S   CT   _C7_    58     1.55816   117.29769    72.31231
   64    63 S   HC   _H4_    59     1.09074   109.80306    59.49379
   65    62 S   CO4  _C16    52     1.48618   107.03983    33.28144
   66    65 S   O    _O34    53     1.21709   127.27624   163.44262
   67    62 S   CM   _C4_    55     1.33546   132.46231  -143.40179
   68    67 S   HC   _H8_    56     1.08259   122.05027    -1.38013
   69    67 S   HC   _H9_    57     1.08579   121.39305   178.18835
   70    63 S   CT   _C8_    60     1.55948   112.87664   -69.58981
   71    70 S   HC   _H10    61     1.09975   107.88177  -120.24420
   72    70 S   HC   _H11    62     1.08892   106.75812   -11.06395
   73    63 S   OS   _O38    74     1.46100   105.00992   176.03686
   74    58 S   OS   _O33    54     1.43904   109.74226   135.48527
   75    73 S   CO4  _C19    75     1.35908   118.27617  -155.45387
   76    75 S   O    _O39    76     1.22164   126.07536     1.21402
   77    75 S   CM   _C20    77     1.48971   109.50631  -179.09108
   78    77 S   CM   _C21    78     1.34205   117.04105  -168.71179
   79    78 S   HC   _H21    79     1.08555   120.98316   179.69099
   80    78 S   HC   _H22    80     1.08544   122.47408    -0.39713
   81    77 S   CT   _C22    81     1.49902   120.57225    10.40452
   82    81 S   HC   _H23    82     1.09516   110.96603   -54.99406
   83    81 S   HC   _H24    83     1.09540   111.59506  -175.12709
   84    81 S   OH   _O40    84     1.42167   109.41470    65.48100
   85    84 S   HO   _H25    85     0.97233   107.00896  -178.84309
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  12   6   5  16  10   4   3  14   6   7   1
  10   7   3   1  12   5   3   1   1  12   6  15   8  10  11   5
   5   2   3   1   1   4   2   1   5   1   9   3   8   6   2   1
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    70    41    45    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    49    63    70    71    72    41    45    46    50    51    47    48  
   38    39    40    42    70    41    45    47  
   36    37  
   37  
    0  
   39    40    42    43    44    49    53    70    41    45    55    47  
   40    42    43    44    49    41  
   42    43    44    49    41  
   45    46    50    55    51    52    47    48    73    42    60    63    64    70    71    72  
   43    44    49    53    54    58    50    55    56    57  
   44    49    53    55  
   49    53    55  
   46    50    55    56    57    51    52    47    48    49    63    70    71    72  
   50    55    51    52    47    70  
   48    50    51    63    70    71    72  
   70  
   53    54    58    59    60    74    50    55    56    57  
   55    56    57    51    52    53    70  
   52    55    70  
    0  
   54    58    59    60    61    62    65    74    63    55    56    57  
   58    59    60    74    55  
   56    57    58  
   57  
    0  
   59    60    61    62    65    66    74    67    63    64    70    73  
   60    61    62    65    74    63  
   61    62    65    66    74    67    68    69    63    64    70    71    72    73    75  
   62    65    74    67    63    64    70    73  
   65    66    74    67    68    69    63    64    70    73  
   64    70    71    72    73    75    76    77    65    67    74  
   70    71    72    73    75  
   66    74    67    68    69  
   74    67  
   68    69    74  
   69  
    0  
   71    72    73    75  
   72    73  
   73  
   75    76    77    78    81  
    0  
   76    77    78    79    80    81    82    83    84  
   77    78    81  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84  
   80    81  
   81  
   82    83    84    85  
   83    84    85  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   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    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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   317.000  1.510
   49    53   549.000  1.340
   49    55   317.000  1.510
   53    54   340.000  1.080
   53    58   317.000  1.510
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    74   320.000  1.410
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   268.000  1.529
   62    65   320.000  1.462
   62    67   549.000  1.340
   65    66   570.000  1.229
   65    74   214.000  1.327
   67    68   340.000  1.080
   67    69   340.000  1.080
   63    64   340.000  1.090
   63    70   268.000  1.529
   63    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    41   268.000  1.529
   41    45   250.000  1.527
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    50   320.000  1.380
   45    51   380.000  1.407
   50    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   51    52   553.000  0.945
   47    48   553.000  0.945
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    81   317.000  1.510
   78    79   340.000  1.080
   78    80   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   320.000  1.410
   84    85   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    70    58.35000  112.70000
   33    41    45    75.00000  109.43000
   33    41    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    49    70.00000  112.02700
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    49    53    70.00000  124.00000
   42    49    55    65.00000  117.92700
   44    42    43    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    44    35.00000  109.50000
   49    53    54    35.00000  120.00000
   49    53    58    70.00000  124.00000
   49    55    50    85.00000  110.90400
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   53    58    59    35.00000  109.50000
   53    58    60    70.00000  112.02700
   53    58    74    85.00000  110.90400
   58    53    54    35.00000  117.00000
   58    60    61    37.50000  110.70000
   58    60    62    70.00000  112.02700
   58    60    63    58.35000  112.70000
   58    74    65    83.00000  116.90000
   60    58    59    37.50000  110.70000
   60    62    65    65.00000  116.34900
   60    62    67    70.00000  124.00000
   60    63    64    37.50000  110.70000
   60    63    70    58.35000  112.70000
   60    63    73    50.00000  109.50000
   62    60    61    35.00000  109.50000
   62    65    66    80.00000  123.72100
   62    65    74    90.00000  111.29400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   74    58    59    35.00000  109.50000
   74    58    60    50.00000  109.50000
   74    65    66    83.00000  123.40000
   67    62    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   63    60    61    37.50000  110.70000
   63    60    62    70.00000  112.02700
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    41    58.35000  112.70000
   63    73    75    83.00000  116.90000
   70    63    64    37.50000  110.70000
   70    41    45    75.00000  109.43000
   70    41    47    50.00000  109.50000
   72    70    71    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    70    71    37.50000  110.70000
   41    70    72    37.50000  110.70000
   41    45    46    45.00000  112.01100
   41    45    50    90.00000  108.56700
   41    45    51    90.00000  110.19100
   41    47    48    55.00000  108.50000
   45    50    55    60.00000  109.50000
   45    51    52    70.00000  107.92000
   50    45    46    35.00000  109.50000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   55    49    53    70.00000  124.00000
   57    55    56    33.00000  107.80000
   51    45    46    60.00000  108.02500
   51    45    50   110.00000  112.08000
   47    41    45    90.00000  111.58700
   73    63    64    35.00000  109.50000
   73    63    70    50.00000  109.50000
   73    75    76    83.00000  123.40000
   73    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    81    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    80    35.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    90.00000  110.39200
   80    78    79    35.00000  117.00000
   81    77    78    70.00000  124.00000
   81    84    85    55.00000  108.50000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    70   0.44750  1.0 1.0
   29    33    41    70  -0.17800 -1.0 2.0
   29    33    41    70   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    49   0.34400  1.0 1.0
   33    38    42    49   0.09450 -1.0 2.0
   33    38    42    49   0.11100  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    50   0.62750  1.0 1.0
   33    41    45    50  -0.30950 -1.0 2.0
   33    41    45    50   0.27300  1.0 3.0
   33    41    45    51   0.86500  1.0 1.0
   33    41    45    51  -0.17500 -1.0 2.0
   33    41    45    51   0.20800  1.0 3.0
   33    41    47    48  -0.11600  1.0 1.0
   33    41    47    48  -0.09450 -1.0 2.0
   33    41    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    70   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    47   0.23400  1.0 3.0
   38    33    41    70   0.56750  1.0 1.0
   38    33    41    70  -0.07550 -1.0 2.0
   38    33    41    70   0.20000  1.0 3.0
   38    33    41    45   3.97050  1.0 1.0
   38    33    41    47   0.86500  1.0 1.0
   38    33    41    47  -0.17500 -1.0 2.0
   38    33    41    47   0.20800  1.0 3.0
   38    42    49    53   0.09850  1.0 1.0
   38    42    49    53   0.15250 -1.0 2.0
   38    42    49    53  -0.50650  1.0 3.0
   38    42    49    55   0.46850  1.0 1.0
   38    42    49    55   0.08550 -1.0 2.0
   38    42    49    55   0.09800  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    49   0.15000  1.0 3.0
   42    49    53    54   7.00000 -1.0 2.0
   42    49    53    58   7.00000 -1.0 2.0
   42    49    55    50   0.09700  1.0 1.0
   42    49    55    50   0.15600 -1.0 2.0
   42    49    55    50  -0.50800  1.0 3.0
   42    49    55    56   0.34800  1.0 3.0
   42    49    55    57   0.34800  1.0 3.0
   43    42    49    53   0.00000  1.0 1.0
   43    42    49    55   0.34800  1.0 3.0
   44    42    49    53   0.00000  1.0 1.0
   44    42    49    55   0.34800  1.0 3.0
   49    53    58    59   0.00000  1.0 1.0
   49    53    58    60   0.09850  1.0 1.0
   49    53    58    60   0.15250 -1.0 2.0
   49    53    58    60  -0.50650  1.0 3.0
   49    53    58    74   0.39000  1.0 1.0
   49    53    58    74  -0.05800 -1.0 2.0
   49    53    58    74  -0.55150  1.0 3.0
   53    49    55    50   0.39000  1.0 1.0
   53    49    55    50  -0.05800 -1.0 2.0
   53    49    55    50  -0.55150  1.0 3.0
   53    49    55    56   0.00000  1.0 1.0
   53    49    55    57   0.00000  1.0 1.0
   53    58    60    61   0.15000  1.0 3.0
   53    58    60    62   0.31000  1.0 1.0
   53    58    60    62   0.14700 -1.0 2.0
   53    58    60    62   0.07550  1.0 3.0
   53    58    60    63   0.34400  1.0 1.0
   53    58    60    63   0.09450 -1.0 2.0
   53    58    60    63   0.11100  1.0 3.0
   53    58    74    65  -0.82050  1.0 1.0
   53    58    74    65   0.00600 -1.0 2.0
   53    58    74    65   0.04400  1.0 3.0
   54    53    58    59   0.33100  1.0 3.0
   54    53    58    60   0.00000  1.0 1.0
   54    53    58    74   0.00000  1.0 1.0
   58    60   -62    65   0.09700  1.0 1.0
   58    60   -62    65   0.15600 -1.0 2.0
   58    60   -62    65  -0.50800  1.0 3.0
   58    60    62    67   0.09850  1.0 1.0
   58    60    62    67   0.15250 -1.0 2.0
   58    60    62    67  -0.50650  1.0 3.0
   58    60    63    64   0.15000  1.0 3.0
   58    60    63    70   0.56750  1.0 1.0
   58    60    63    70  -0.07550 -1.0 2.0
   58    60    63    70   0.20000  1.0 3.0
   58    60    63    73   0.62750  1.0 1.0
   58    60    63    73  -0.30950 -1.0 2.0
   58    60    63    73   0.27300  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    74    65   0.08050  1.0 3.0
   60    58   -74    65  -0.25900  1.0 1.0
   60    58   -74    65  -0.47000 -1.0 2.0
   60    58   -74    65   0.11750  1.0 3.0
   60    62    65    66  -0.64400  1.0 1.0
   60    62    65    66   0.26850 -1.0 2.0
   60    62   -65    74  -0.15000  1.0 1.0
   60    62   -65    74   0.89550 -1.0 2.0
   60    62   -65    74  -0.06900  1.0 3.0
   60    62    67    68   7.00000 -1.0 2.0
   60    62    67    69   7.00000 -1.0 2.0
   60    63    70    71   0.15000  1.0 3.0
   60    63    70    72   0.15000  1.0 3.0
   60    63    70    41   0.56750  1.0 1.0
   60    63    70    41  -0.07550 -1.0 2.0
   60    63    70    41   0.20000  1.0 3.0
   60    63    73    75  -0.25900  1.0 1.0
   60    63    73    75  -0.47000 -1.0 2.0
   60    63    73    75   0.11750  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    67   0.00000  1.0 1.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    70   0.15000  1.0 3.0
   61    60    63    73   0.23400  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    70   0.34400  1.0 1.0
   62    60    63    70   0.09450 -1.0 2.0
   62    60    63    70   0.11100  1.0 3.0
   62    60    63    73   0.61850  1.0 1.0
   62    60    63    73  -0.22750 -1.0 2.0
   62    60    63    73   0.15300  1.0 3.0
   62    65   -74    58   2.00000 -1.0 2.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   66    65    74    58   3.00000 -1.0 2.0
   74    58    60    61   0.23400  1.0 3.0
   74    58   -60    62   0.61850  1.0 1.0
   74    58   -60    62  -0.22750 -1.0 2.0
   74    58   -60    62   0.15300  1.0 3.0
   74    58    60    63   0.62750  1.0 1.0
   74    58    60    63  -0.30950 -1.0 2.0
   74    58    60    63   0.27300  1.0 3.0
   67    62    65    66   1.00000 -1.0 2.0
   67    62    65    74  -0.56150  1.0 1.0
   67    62    65    74   2.19150 -1.0 2.0
   63    60    62    65   0.09700  1.0 1.0
   63    60    62    65   0.15600 -1.0 2.0
   63    60    62    65  -0.50800  1.0 3.0
   63    60    62    67   0.09850  1.0 1.0
   63    60    62    67   0.15250 -1.0 2.0
   63    60    62    67  -0.50650  1.0 3.0
   63    70    41    33   0.56750  1.0 1.0
   63    70    41    33  -0.07550 -1.0 2.0
   63    70    41    33   0.20000  1.0 3.0
   63    70    41    45   3.97050  1.0 1.0
   63    70    41    47   0.86500  1.0 1.0
   63    70    41    47  -0.17500 -1.0 2.0
   63    70    41    47   0.20800  1.0 3.0
   63    73    75    76   3.00000 -1.0 2.0
   63    73    75    77   2.00000 -1.0 2.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    41   0.15000  1.0 3.0
   64    63    73    75   0.08050  1.0 3.0
   70    63    73    75  -0.25900  1.0 1.0
   70    63    73    75  -0.47000 -1.0 2.0
   70    63    73    75   0.11750  1.0 3.0
   70    41    45    46   0.15000  1.0 3.0
   70    41    45    50   0.62750  1.0 1.0
   70    41    45    50  -0.30950 -1.0 2.0
   70    41    45    50   0.27300  1.0 3.0
   70    41    45    51   0.86500  1.0 1.0
   70    41    45    51  -0.17500 -1.0 2.0
   70    41    45    51   0.20800  1.0 3.0
   70    41    47    48  -0.11600  1.0 1.0
   70    41    47    48  -0.09450 -1.0 2.0
   70    41    47    48   0.21250  1.0 3.0
   71    70    41    33   0.15000  1.0 3.0
   71    70    41    45   0.15000  1.0 3.0
   71    70    41    47   0.23400  1.0 3.0
   72    70    41    33   0.15000  1.0 3.0
   72    70    41    45   0.15000  1.0 3.0
   72    70    41    47   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   41    45    50    55   0.06250  1.0 1.0
   41    45    50    55  -0.01100 -1.0 2.0
   41    45    50    55   0.28050  1.0 3.0
   41    45    51    52  -0.11600  1.0 1.0
   41    45    51    52  -0.09450 -1.0 2.0
   41    45    51    52   0.21250  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    50    55    49  -0.77900  1.0 1.0
   45    50    55    49  -0.36900 -1.0 2.0
   45    50    55    49   0.40400  1.0 3.0
   45    50    55    56   0.37050  1.0 3.0
   45    50    55    57   0.37050  1.0 3.0
   46    45    50    55   0.37050  1.0 3.0
   46    45    51    52   0.19450  1.0 3.0
   50    45    51    52  -0.50000  1.0 1.0
   50    45    51    52  -0.73950 -1.0 2.0
   50    45    51    52   0.17150  1.0 3.0
   55    49    53    54   7.00000 -1.0 2.0
   55    49    53    58   7.00000 -1.0 2.0
   51    45    50    55  -0.70900  1.0 1.0
   51    45    50    55  -1.18000 -1.0 2.0
   51    45    50    55   0.91650  1.0 3.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    50   3.69350  1.0 1.0
   47    41    45    50  -1.82950 -1.0 2.0
   47    41    45    51   3.75450  1.0 1.0
   73    63    70    71   0.23400  1.0 3.0
   73    63    70    72   0.23400  1.0 3.0
   73    63    70    41   0.62750  1.0 1.0
   73    63    70    41  -0.30950 -1.0 2.0
   73    63    70    41   0.27300  1.0 3.0
   73    75    77    78  -0.56150  1.0 1.0
   73    75    77    78   2.19150 -1.0 2.0
   73    75    77    81  -0.15000  1.0 1.0
   73    75    77    81   0.89550 -1.0 2.0
   73    75    77    81  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    80   7.00000 -1.0 2.0
   75    77    81    82   0.15000  1.0 3.0
   75    77    81    83   0.15000  1.0 3.0
   75    77    81    84   0.09700  1.0 1.0
   75    77    81    84   0.15600 -1.0 2.0
   75    77    81    84  -0.50800  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    81  -0.64400  1.0 1.0
   76    75    77    81   0.26850 -1.0 2.0
   77    81    84    85  -0.07800  1.0 1.0
   77    81    84    85  -0.21500 -1.0 2.0
   77    81    84    85  -0.03150  1.0 3.0
   78    77    81    82   0.00000  1.0 1.0
   78    77    81    83   0.00000  1.0 1.0
   78    77    81    84   0.67800  1.0 1.0
   78    77    81    84   0.47050 -1.0 2.0
   78    77    81    84  -0.62500  1.0 3.0
   81    77    78    79   7.00000 -1.0 2.0
   81    77    78    80   7.00000 -1.0 2.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  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
   42    55    49    53   1.10000 -1.0 2.0
   58    54    53    49   1.10000 -1.0 2.0
   60    65    62    67   1.10000 -1.0 2.0
   62    74    65    66  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
   73    77    75    76  10.50000 -1.0 2.0
   75    81    77    78  15.00000 -1.0 2.0
   79    80    78    77  15.00000 -1.0 2.0
END
