* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    165    247     472
    1     0 S   NP   _N1_     1    28.68370    95.07880   -23.18694
    2     1 S   H    _HN1     2     1.02831    33.81091   163.15197
    3     1 S   H    _H1_     3     1.02785   102.23798   -92.87670
    4     1 S   H    _H2_     4     1.02956    77.77582    13.52292
    5     1 S   CT   _CA1     5     1.50137   138.73969   120.58007
    6     5 S   HC   _HA1     6     1.09574   105.19423    82.87172
    7     5 S   CO3  _C1_     7     1.53769   112.43731   -37.30598
    8     7 S   O2Z  _O11     8     1.26366   115.00277   -42.60817
    9     7 S   O2Z  _O12     9     1.26241   114.93657   136.44935
   10     5 S   CT   _CB1    10     1.53064   107.38724  -159.22430
   11    10 S   HC   HB11    11     1.09834   109.27456   -50.30297
   12    10 S   HC   HB12    12     1.09818   110.44191    66.22922
   13    10 S   CT   _CG1    13     1.53020   112.72662  -171.36792
   14    13 S   HC   HG11    14     1.09584   110.55499   -65.76989
   15    13 S   HC   HG12    15     1.09656   109.90732    53.51636
   16    13 S   C    _CD1    16     1.51767   112.15909   173.83534
   17    16 S   O    _OE1    17     1.22779   123.26809     2.78481
   18    16 S   N    _N2_    18     1.38653   111.85731  -177.11527
   19    18 S   H    _HN2    19     1.01571   119.09381     3.31269
   20    18 S   CT1  _CA2    20     1.45849   122.64251   177.72230
   21    20 S   HC   _HA2    21     1.09493   109.39694    21.65242
   22    20 S   C    _C2_    22     1.52756   105.51904   -94.45452
   23    22 S   O    _O2_    23     1.22917   122.81250   -92.83605
   24    20 S   CT   _CB2    32     1.53252   111.73867   145.00948
   25    24 S   HC   HB21    33     1.09618   110.45703    47.77286
   26    24 S   HC   HB22    34     1.09558   111.17804   166.12268
   27    22 S   N    _N3_    24     1.38522   112.57154    84.11155
   28    27 S   H    _HN3    25     1.01700   119.79520    -2.63039
   29    24 S   S    _SG2    35     1.82967   112.31430   -71.80909
   30    27 S   CT   _CA3    26     1.45285   122.83224   179.85598
   31    30 S   HC   HA31    27     1.09571   107.35157   -61.66944
   32    30 S   HC   HA32    28     1.09542   108.07802    54.62852
   33    29 S   CT   _C20    36     1.85360    99.59237   -76.10956
   34    33 S   HC   _H9_    37     1.09463   105.71552    17.23698
   35    30 S   CO3  _C3_    29     1.52914   114.00584   176.09686
   36    35 S   O2Z  _O31    30     1.26369   115.88319   -21.88296
   37    35 S   O2Z  _O32    31     1.26396   114.60276   158.46554
   38    33 S   CT   _C21    38     1.53783   107.74509   -95.31476
   39    38 S   HC   _H22    39     1.09564   112.33045   -60.92387
   40    38 S   HC   _H23    40     1.09460   110.98310   178.41872
   41    38 S   HC   _H24    41     1.09619   111.00663    59.80284
   42    33 S   CT   _C18    42     1.56880   114.93141   135.18443
   43    42 S   OM   _O39    43     1.32080   111.29416    72.88956
   44    42 S   CO4  _C17    44     1.54345   108.63405  -166.96000
   45    44 S   O    _O38    45     1.22464   126.72644  -116.76681
   46    42 S   CT   _C19    86     1.54597   113.19769   -48.03771
   47    46 S   HC   _H19    87     1.09736   113.21437    69.84488
   48    46 S   HC   _H20    88     1.09912   111.52694  -169.58493
   49    46 S   HC   _H21    89     1.09609   111.10646   -51.10732
   50    44 S   OS   _O37    46     1.37015   108.76445    62.52469
   51    50 S   CT   _C9_    47     1.44978   119.60002  -179.06686
   52    51 S   HC   _H5_    48     1.09623   109.60161    13.54663
   53    51 S   CT   _C10    49     1.56273   106.97116  -104.10463
   54    53 S   HC   _H6_    50     1.09239   109.60174   -48.05991
   55    51 S   CT   _C8_    63     1.54940   107.57509   131.78969
   56    55 S   HC   _H4_    64     1.09813   108.63818   170.02865
   57    53 S   CM   _C11    51     1.51298   115.35467  -173.61807
   58    55 S   CM   _C22    65     1.49632   118.73958   -70.46073
   59    53 S   OH   _O36    84     1.43654   108.83916    64.74773
   60    59 S   HO   _H18    85     0.97382   108.03460    53.89015
   61    57 S   CM   _C12    52     1.34994   127.05531   125.79167
   62    61 S   HC   _H14    53     1.09017   117.44600   177.75720
   63    58 S   CO4  _C24    66     1.48647   107.56449   154.62907
   64    63 S   O    _O40    67     1.21739   127.00212   165.96950
   65    58 S   CM   _C23    69     1.33506   130.75856   -24.13602
   66    65 S   HC   _H25    70     1.08437   121.45699    -0.73435
   67    65 S   HC   _H26    71     1.08536   121.51935   179.13227
   68    57 S   CO4  _C15    77     1.49436   115.67240   -55.37225
   69    68 S   O    _O34    78     1.22301   123.15264   -36.40978
   70    61 S   C3T  _C13    54     1.48002   131.04765    -1.55934
   71    70 S   HC   _H7_    55     1.08535   113.32088    75.52319
   72    88 S   OS   _O41    68     1.42845   114.26594   -56.67956
   73    68 S   OS   _O35    79     1.36020   110.56157   139.79960
   74    70 S   C3T  _C14    56     1.53293   124.17703   -76.05062
   75    74 S   HC   _H8_    57     1.08670   117.19254   152.56272
   76    73 S   CT   _C16    80     1.43060   115.26993  -177.26612
   77    76 S   HC   _H15    81     1.09325   108.09670  -179.12845
   78    76 S   HC   _H16    82     1.09424   110.22317    62.21118
   79    76 S   HC   _H17    83     1.09424   110.33758   -60.40513
   80    74 S   CM   _C5_    58     1.47932   116.14542    14.38581
   81    70 S   O3T  _O33    76     1.44318   117.93883  -143.64544
   82    80 S   CM   _C6_    59     1.34801   118.23547    85.66941
   83    82 S   HC   _H13    60     1.09188   116.49971     8.89488
   84    80 S   CT   _C4_    72     1.50344   116.20352   -87.32359
   85    84 S   HC   _H10    73     1.09547   109.66118   -58.71705
   86    84 S   HC   _H11    74     1.09124   113.33821  -178.09258
   87    84 S   HC   _H12    75     1.09423   111.03131    60.71273
   88    82 S   CT   _C7_    61     1.49270   129.37441  -155.20128
   89    88 S   HC   _H3_    62     1.09819   107.19006  -173.78246
  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
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  10  17   8  14   6  15   7  12   9   3   1  10   5   8   3
   4   1   1   7   2   7   4   5   4  10   4   3   2   1   1   9
   2   7   3   4   2   1   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    55    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    57    88    55    56    58    59  
   52    53    54    57    61    82    88    89    55    56    58    63    72    65    68    59    60  
   53    54    57    88    55    56    58    59  
   54    57    61    62    70    88    55    56    58    68    69    73    59    60  
   57    61    55    68    59    60  
   56    58    63    64    72    65    66    67    59    57    80    82    83    88    89  
   58    63    72    65    82    88    89  
   61    62    70    71    74    81    68    69    73    76    59    60  
   63    64    72    65    66    67    82    88    89  
   60    61    68  
    0  
   62    70    71    74    75    80    81    68    69    73  
   70    71    74    81    68  
   64    72    65    66    67    82    88    89  
   72    65    88  
   66    67    72    88  
   67  
    0  
   69    73    76    77    78    79    70  
   73    76  
   71    74    75    80    82    84    81  
   74    75    80    81  
   80    82    83    88    89  
   76    77    78    79  
   75    80    82    83    88    84    85    86    87    81  
   80    82    84    81  
   77    78    79  
   78    79  
   79  
    0  
   82    83    88    89    84    85    86    87    81  
   82    84  
   83    88    89    84    85    86    87  
   88    89    84  
   85    86    87    88  
   86    87  
   87  
    0  
   89  
    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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   82   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   570.000  1.307
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   317.000  1.510
   53    59   320.000  1.410
   57    61   549.000  1.340
   57    68   320.000  1.462
   61    62   340.000  1.080
   61    70   305.000  1.480
   70    71   340.000  1.088
   70    74   260.000  1.509
   70    81   335.000  1.432
   74    75   340.000  1.088
   74    80   305.000  1.480
   74    81   335.000  1.432
   80    82   549.000  1.340
   80    84   317.000  1.510
   82    83   340.000  1.080
   82    88   317.000  1.510
   88    89   340.000  1.090
   88    55   268.000  1.529
   88    72   320.000  1.410
   55    56   340.000  1.090
   55    58   317.000  1.510
   58    63   320.000  1.462
   58    65   549.000  1.340
   63    64   570.000  1.229
   63    72   214.000  1.327
   65    66   340.000  1.080
   65    67   340.000  1.080
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   68    69   570.000  1.229
   68    73   214.000  1.327
   73    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   59    60   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    50.00000  109.50000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    90.00000  108.74100
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    55    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    57    70.00000  112.02700
   51    53    59    50.00000  109.50000
   51    55    88    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    58    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    57    61    70.00000  124.00000
   53    57    68    65.00000  116.34900
   53    59    60    55.00000  108.50000
   57    53    54    35.00000  109.50000
   57    61    62    35.00000  120.00000
   57    61    70    55.00000  125.06700
   57    68    69    80.00000  123.72100
   57    68    73    90.00000  111.29400
   61    70    71    40.00000  112.45000
   61    70    74    60.00000  120.58800
   61    70    81    85.00000  114.23300
   70    61    62    40.00000  117.24000
   70    74    75    37.50000  117.20000
   70    74    80    60.00000  120.58800
   70    74    81    15.00000   60.43100
   70    81    74    15.00000   59.14900
   74    70    71    37.50000  117.20000
   74    80    82    55.00000  125.06700
   74    80    84    65.00000  117.92700
   80    74    75    40.00000  112.45000
   80    82    83    35.00000  120.00000
   80    82    88    70.00000  124.00000
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    87    35.00000  109.50000
   82    88    89    35.00000  109.50000
   82    88    55    70.00000  112.02700
   82    88    72    85.00000  110.90400
   88    82    83    35.00000  117.00000
   88    55    56    37.50000  110.70000
   88    55    58    70.00000  112.02700
   88    72    63    83.00000  116.90000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    88    89    37.50000  110.70000
   55    58    63    65.00000  116.34900
   55    58    65    70.00000  124.00000
   58    55    56    35.00000  109.50000
   58    63    64    80.00000  123.72100
   58    63    72    90.00000  111.29400
   58    65    66    35.00000  120.00000
   58    65    67    35.00000  120.00000
   72    88    89    35.00000  109.50000
   72    88    55    50.00000  109.50000
   72    63    64    83.00000  123.40000
   65    58    63    65.00000  118.96000
   67    65    66    35.00000  117.00000
   84    80    82    70.00000  124.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   81    70    71    50.00000  114.27700
   81    70    74    15.00000   60.43100
   81    74    75    50.00000  114.27700
   81    74    80    85.00000  114.23300
   68    57    61    65.00000  118.96000
   68    73    76    83.00000  116.90000
   73    68    69    83.00000  123.40000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   59    53    54    35.00000  109.50000
   59    53    57    90.00000  110.39200
   46    42    43    50.00000  109.50000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    41   0.15000  1.0 3.0
   29    33    42    43   0.56750  1.0 1.0
   29    33    42    43  -0.07550 -1.0 2.0
   29    33    42    43   0.20000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  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    41   0.15000  1.0 3.0
   34    33    42    43   0.23400  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.62750  1.0 1.0
   38    33    42    43  -0.30950 -1.0 2.0
   38    33    42    43   0.27300  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.30150 -1.0 2.0
   43    42    44    50   0.40000  1.0 3.0
   43    42    46    47   0.23400  1.0 3.0
   43    42    46    48   0.23400  1.0 3.0
   43    42    46    49   0.23400  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.25900  1.0 1.0
   44    50    51    53  -0.47000 -1.0 2.0
   44    50    51    53   0.11750  1.0 3.0
   44    50    51    55  -0.25900  1.0 1.0
   44    50    51    55  -0.47000 -1.0 2.0
   44    50    51    55   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    57   0.61850  1.0 1.0
   50    51    53    57  -0.22750 -1.0 2.0
   50    51    53    57   0.15300  1.0 3.0
   50    51    53    59   3.69350  1.0 1.0
   50    51    53    59  -1.82950 -1.0 2.0
   50    51    55    88   0.62750  1.0 1.0
   50    51    55    88  -0.30950 -1.0 2.0
   50    51    55    88   0.27300  1.0 3.0
   50    51    55    56   0.23400  1.0 3.0
   50    51    55    58   0.61850  1.0 1.0
   50    51    55    58  -0.22750 -1.0 2.0
   50    51    55    58   0.15300  1.0 3.0
   51    53    57    61   0.09850  1.0 1.0
   51    53    57    61   0.15250 -1.0 2.0
   51    53    57    61  -0.50650  1.0 3.0
   51    53    57    68   0.09700  1.0 1.0
   51    53    57    68   0.15600 -1.0 2.0
   51    53    57    68  -0.50800  1.0 3.0
   51    53    59    60  -0.11600  1.0 1.0
   51    53    59    60  -0.09450 -1.0 2.0
   51    53    59    60   0.21250  1.0 3.0
   51    55    58    63   0.09700  1.0 1.0
   51    55    58    63   0.15600 -1.0 2.0
   51    55    58    63  -0.50800  1.0 3.0
   51    55    58    65   0.09850  1.0 1.0
   51    55    58    65   0.15250 -1.0 2.0
   51    55    58    65  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    57   0.15000  1.0 3.0
   52    51    53    59   0.23400  1.0 3.0
   52    51    55    88   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    88   0.56750  1.0 1.0
   53    51    55    88  -0.07550 -1.0 2.0
   53    51    55    88   0.20000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    58   0.34400  1.0 1.0
   53    51    55    58   0.09450 -1.0 2.0
   53    51    55    58   0.11100  1.0 3.0
   53    57    61    62   7.00000 -1.0 2.0
   53    57    61    70   7.00000 -1.0 2.0
   53    57    68    69  -0.64400  1.0 1.0
   53    57    68    69   0.26850 -1.0 2.0
   53    57    68    73  -0.15000  1.0 1.0
   53    57    68    73   0.89550 -1.0 2.0
   53    57    68    73  -0.06900  1.0 3.0
   54    53    57    61   0.00000  1.0 1.0
   54    53    57    68   0.15000  1.0 3.0
   54    53    59    60   0.19450  1.0 3.0
   57    53    59    60  -0.07800  1.0 1.0
   57    53    59    60  -0.21500 -1.0 2.0
   57    53    59    60  -0.03150  1.0 3.0
   57    61    70    71   0.00000  1.0 1.0
   57    61    70    74   0.09850  1.0 1.0
   57    61    70    74   0.15250 -1.0 2.0
   57    61    70    74  -0.50650  1.0 3.0
   57    61    70    81   0.39000  1.0 1.0
   57    61    70    81  -0.05800 -1.0 2.0
   57    61    70    81  -0.55150  1.0 3.0
   57    68    73    76   2.00000 -1.0 2.0
   61    57    68    69   1.00000 -1.0 2.0
   61    57    68    73  -0.56150  1.0 1.0
   61    57    68    73   2.19150 -1.0 2.0
   61    70    74    75   0.15000  1.0 3.0
   61    70    74    80   0.31000  1.0 1.0
   61    70    74    80   0.14700 -1.0 2.0
   61    70    74    80   0.07550  1.0 3.0
   61    70   -74    81   0.61850  1.0 1.0
   61    70   -74    81  -0.22750 -1.0 2.0
   61    70   -74    81   0.15300  1.0 3.0
   61    70   -81    74  -0.77900  1.0 1.0
   61    70   -81    74  -0.36900 -1.0 2.0
   61    70   -81    74   0.40400  1.0 3.0
   62    61    70    71   0.33100  1.0 3.0
   62    61    70    74   0.00000  1.0 1.0
   62    61    70    81   0.00000  1.0 1.0
   70    74    80    82   0.09850  1.0 1.0
   70    74    80    82   0.15250 -1.0 2.0
   70    74    80    82  -0.50650  1.0 3.0
   70    74    80    84   0.46850  1.0 1.0
   70    74    80    84   0.08550 -1.0 2.0
   70    74    80    84   0.09800  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    80   0.15000  1.0 3.0
   71    70   -74    81   0.23400  1.0 3.0
   71    70   -81    74   0.36800  1.0 3.0
   74    80    82    83   7.00000 -1.0 2.0
   74    80    82    88   7.00000 -1.0 2.0
   74    80    84    85   0.34800  1.0 3.0
   74    80    84    86   0.34800  1.0 3.0
   74    80    84    87   0.34800  1.0 3.0
   75    74    80    82   0.00000  1.0 1.0
   75    74    80    84   0.34800  1.0 3.0
   75    74   -81    70   0.36800  1.0 3.0
   80    74   -81    70  -0.77900  1.0 1.0
   80    74   -81    70  -0.36900 -1.0 2.0
   80    74   -81    70   0.40400  1.0 3.0
   80    82    88    89   0.00000  1.0 1.0
   80    82    88    55   0.09850  1.0 1.0
   80    82    88    55   0.15250 -1.0 2.0
   80    82    88    55  -0.50650  1.0 3.0
   80    82    88    72   0.39000  1.0 1.0
   80    82    88    72  -0.05800 -1.0 2.0
   80    82    88    72  -0.55150  1.0 3.0
   82    80    84    85   0.00000  1.0 1.0
   82    80    84    86   0.00000  1.0 1.0
   82    80    84    87   0.00000  1.0 1.0
   82    88    55    51   0.34400  1.0 1.0
   82    88    55    51   0.09450 -1.0 2.0
   82    88    55    51   0.11100  1.0 3.0
   82    88    55    56   0.15000  1.0 3.0
   82    88    55    58   0.31000  1.0 1.0
   82    88    55    58   0.14700 -1.0 2.0
   82    88    55    58   0.07550  1.0 3.0
   82    88    72    63  -0.82050  1.0 1.0
   82    88    72    63   0.00600 -1.0 2.0
   82    88    72    63   0.04400  1.0 3.0
   83    82    88    89   0.33100  1.0 3.0
   83    82    88    55   0.00000  1.0 1.0
   83    82    88    72   0.00000  1.0 1.0
   88    55   -58    63   0.09700  1.0 1.0
   88    55   -58    63   0.15600 -1.0 2.0
   88    55   -58    63  -0.50800  1.0 3.0
   88    55    58    65   0.09850  1.0 1.0
   88    55    58    65   0.15250 -1.0 2.0
   88    55    58    65  -0.50650  1.0 3.0
   89    88    55    51   0.15000  1.0 3.0
   89    88    55    56   0.15000  1.0 3.0
   89    88    55    58   0.15000  1.0 3.0
   89    88    72    63   0.08050  1.0 3.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    57   0.34400  1.0 1.0
   55    51    53    57   0.09450 -1.0 2.0
   55    51    53    57   0.11100  1.0 3.0
   55    51    53    59   0.86500  1.0 1.0
   55    51    53    59  -0.17500 -1.0 2.0
   55    51    53    59   0.20800  1.0 3.0
   55    88   -72    63  -0.25900  1.0 1.0
   55    88   -72    63  -0.47000 -1.0 2.0
   55    88   -72    63   0.11750  1.0 3.0
   55    58    63    64  -0.64400  1.0 1.0
   55    58    63    64   0.26850 -1.0 2.0
   55    58   -63    72  -0.15000  1.0 1.0
   55    58   -63    72   0.89550 -1.0 2.0
   55    58   -63    72  -0.06900  1.0 3.0
   55    58    65    66   7.00000 -1.0 2.0
   55    58    65    67   7.00000 -1.0 2.0
   56    55    58    63   0.15000  1.0 3.0
   56    55    58    65   0.00000  1.0 1.0
   58    63   -72    88   2.00000 -1.0 2.0
   63    58    65    66   7.00000 -1.0 2.0
   63    58    65    67   7.00000 -1.0 2.0
   64    63    72    88   3.00000 -1.0 2.0
   72    88    55    51   0.62750  1.0 1.0
   72    88    55    51  -0.30950 -1.0 2.0
   72    88    55    51   0.27300  1.0 3.0
   72    88    55    56   0.23400  1.0 3.0
   72    88   -55    58   0.61850  1.0 1.0
   72    88   -55    58  -0.22750 -1.0 2.0
   72    88   -55    58   0.15300  1.0 3.0
   65    58    63    64   1.00000 -1.0 2.0
   65    58    63    72  -0.56150  1.0 1.0
   65    58    63    72   2.19150 -1.0 2.0
   84    80    82    83   7.00000 -1.0 2.0
   84    80    82    88   7.00000 -1.0 2.0
   81    70   -74    75   0.23400  1.0 3.0
   81    70   -74    80   0.61850  1.0 1.0
   81    70   -74    80  -0.22750 -1.0 2.0
   81    70   -74    80   0.15300  1.0 3.0
   81    74    80    82   0.39000  1.0 1.0
   81    74    80    82  -0.05800 -1.0 2.0
   81    74    80    82  -0.55150  1.0 3.0
   81    74    80    84   0.09700  1.0 1.0
   81    74    80    84   0.15600 -1.0 2.0
   81    74    80    84  -0.50800  1.0 3.0
   68    57    61    62   7.00000 -1.0 2.0
   68    57    61    70   7.00000 -1.0 2.0
   68    73    76    77   0.08050  1.0 3.0
   68    73    76    78   0.08050  1.0 3.0
   68    73    76    79   0.08050  1.0 3.0
   69    68    73    76   3.00000 -1.0 2.0
   59    53    57    61   0.67800  1.0 1.0
   59    53    57    61   0.47050 -1.0 2.0
   59    53    57    61  -0.62500  1.0 3.0
   59    53    57    68   0.09700  1.0 1.0
   59    53    57    68   0.15600 -1.0 2.0
   59    53    57    68  -0.50800  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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    50    44    45  10.50000 -1.0 2.0
   53    68    57    61   1.10000 -1.0 2.0
   70    62    61    57   1.10000 -1.0 2.0
   74    84    80    82   1.10000 -1.0 2.0
   88    83    82    80   1.10000 -1.0 2.0
   55    63    58    65   1.10000 -1.0 2.0
   58    72    63    64  10.50000 -1.0 2.0
   66    67    65    58   1.10000 -1.0 2.0
   57    73    68    69  10.50000 -1.0 2.0
END
