* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    157    249     463
    1     0 S   NP   _N1_     1    28.67242    96.22454   -22.35265
    2     1 S   H    _HN1     2     1.02952    75.86918    16.44445
    3     1 S   H    _H1_     3     1.02830    39.04261   158.71255
    4     1 S   H    _H2_     4     1.02784    96.57623   -90.88436
    5     1 S   CT   _CA1     5     1.50107   145.50519   122.01973
    6     5 S   HC   _HA1     6     1.09572   105.21504    82.94273
    7     5 S   CO3  _C1_     7     1.53805   112.46149   -37.31000
    8     7 S   O2Z  _O11     8     1.26369   115.00805   -42.49004
    9     7 S   O2Z  _O12     9     1.26242   114.95640   136.69436
   10     5 S   CT   _CB1    10     1.53090   107.43200  -159.05988
   11    10 S   HC   HB11    11     1.09827   109.41382   -49.84958
   12    10 S   HC   HB12    12     1.09814   110.42421    66.77538
   13    10 S   CT   _CG1    13     1.52966   112.57481  -170.85398
   14    13 S   HC   HG11    14     1.09588   110.54805   -64.38549
   15    13 S   HC   HG12    15     1.09666   109.85921    54.81668
   16    13 S   C    _CD1    16     1.51793   112.34962   175.28225
   17    16 S   O    _OE1    17     1.22713   123.33065     3.22331
   18    16 S   N    _N2_    18     1.38598   111.52442  -176.82380
   19    18 S   H    _HN2    19     1.01577   118.97961     2.00886
   20    18 S   CT1  _CA2    20     1.46243   123.59475   178.99848
   21    20 S   HC   _HA2    21     1.09735   109.38900     0.58417
   22    20 S   C    _C2_    22     1.53556   108.66448  -114.88350
   23    22 S   O    _O2_    23     1.23049   122.36407  -149.71284
   24    20 S   CT   _CB2    32     1.53434   111.20338   122.64840
   25    24 S   HC   HB21    33     1.09416   109.38469    55.71252
   26    24 S   HC   HB22    34     1.09452   109.96033   174.28715
   27    22 S   N    _N3_    24     1.38365   113.69523    37.88502
   28    27 S   H    _HN3    25     1.01588   119.52140    -3.51725
   29    24 S   S    _SG2    35     1.83062   110.92070   -66.92917
   30    27 S   CT   _CA3    26     1.45273   123.17934   177.05124
   31    30 S   HC   HA31    27     1.09550   107.52078   -64.33703
   32    30 S   HC   HA32    28     1.09558   107.97043    52.09060
   33    29 S   CT   _C16    36     1.87923   102.11058   147.63790
   34    30 S   CO3  _C3_    29     1.52943   114.10585   174.08895
   35    34 S   O2Z  _O31    30     1.26374   116.07497    -0.38664
   36    34 S   O2Z  _O32    31     1.26431   114.40798   179.66780
   37    33 S   CT   _C15    37     1.54825   105.82127  -163.96011
   38    37 S   HC   _H9_    38     1.09746   110.23785   165.89362
   39    37 S   HC   _H10    39     1.09758   111.80400    48.98779
   40    33 S   CT   _C17    75     1.59667   116.10521    76.56049
   41    40 S   OM   _O38    76     1.32742   110.41649   -56.05419
   42    40 S   HC   _H3_    77     1.10278   103.49870   179.60386
   43    33 S   OS   _O39    82     1.45231   111.96260   -44.93897
   44    37 S   CO4  _C14    40     1.51357   113.05069   -73.73673
   45    44 S   O    _O35    41     1.23138   121.21040   128.29415
   46    43 S   CT   _C20    83     1.42028   117.66676   -67.93935
   47    46 S   HC   _H12    84     1.09378   107.82562   169.26131
   48    46 S   HC   _H13    85     1.09214   112.26007    50.35998
   49    46 S   HC   _H14    86     1.09330   110.67665   -73.30836
   50    44 S   CT   _C13    42     1.52557   116.41686   -55.62530
   51    50 S   CO4  _C12    43     1.52409   112.02183   -70.73893
   52    51 S   O    _O34    44     1.22942   121.11544   -25.66244
   53    50 S   OH   _O40    80     1.42675   108.72452   174.65683
   54    53 S   HO   _H15    81     0.97370   107.78277    50.07247
   55    51 S   CA   _C10    45     1.49170   118.93905   156.80435
   56    55 S   CA   _C9_    46     1.38973   119.22816    -5.27310
   57    55 S   CA   _C11    56     1.41411   122.02125   173.83449
   58    56 S   CA   _C8_    47     1.39604   120.14010   178.34341
   59    58 S   HA   _H7_    48     1.09014   119.17469   179.96574
   60    57 S   OH   _O33    57     1.37544   119.84682     0.75277
   61    60 S   HO   _H8_    58     0.97269   110.07792     1.33046
   62    56 S   CO4  _C19    72     1.47921   121.45488    -1.71760
   63    62 S   O    _O36    73     1.22876   119.53521   159.73742
   64    58 S   CA   _C7_    49     1.40170   121.48699     0.69970
   65    50 S   CT   _C18    74     1.53440   108.76083    54.64607
   66    64 S   CA   _C21    50     1.40186   117.93975   179.75451
   67    66 S   HA   _H16    51     1.08899   119.97133     0.03956
   68    65 S   OH   _O37    78     1.43238   108.25308    69.13512
   69    68 S   HO   _H11    79     0.97459   106.06060  -170.69526
   70    66 S   CA   _C22    52     1.38678   120.84628  -180.00000
   71    70 S   CA   _C23    53     1.39049   119.82984    -0.01978
   72    70 S   OH   _O43    70     1.36747   120.20750  -179.91607
   73    72 S   HO   _H20    71     0.97240   109.03114    -0.42796
   74    71 S   CA   _C5_    54     1.41405   121.19528     0.48859
   75    71 S   CO4  _C24    63     1.46970   117.44257   179.59410
   76    75 S   O    _O41    64     1.21815   123.88685   -88.08997
   77    64 S   CA   _C6_    55     1.42227   120.88034    -0.09487
   78    74 S   CT   _C4_    59     1.51272   119.26716   179.23383
   79    78 S   HC   _H4_    60     1.09472   110.21557  -120.30922
   80    78 S   HC   _H5_    61     1.09308   113.51536    -1.66988
   81    78 S   HC   _H6_    62     1.09465   110.18541   117.38037
   82    75 S   OS   _O42    65     1.35576   107.35521    92.11191
   83    82 S   CT   _C25    66     1.42984   114.78325   180.00000
   84    83 S   HC   _H17    67     1.09328   108.13124   179.82196
   85    83 S   HC   _H18    68     1.09430   110.31072    61.09606
   86    83 S   HC   _H19    69     1.09431   110.28030   -61.47032
  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
  17   2   1   1  13   6   5  14   6   5   6  10   4   3   2   1
   1  12  12   5   5   1  12  11  10  10   4   4   1   5   2   8
   2   8   4   1   1   9  12   3   1   8   8   2   4   3   2   1
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    65    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    62    65    40    41    42    68    43    46    47    48    49  
   35    36  
   36  
    0  
   38    39    44    45    50    51    65    40    41    42    53    43    46  
   39    44    45    50    40    43  
   44    45    50    40    43  
   41    42    68    69    53    43    46    44    50    51    56    62    63    65  
   42    68    43    50    62    65  
   68    43    50    62    65  
   46    47    48    49    44    65  
   45    50    51    52    55    62    65    68    53    54  
   50    51    65    53  
   47    48    49  
   48    49  
   49  
    0  
   51    52    55    56    57    62    63    65    68    69    53    54  
   52    55    56    58    77    57    60    62    65    68    53    54  
   55    56    57    65    53  
   54    55    62    65    68  
   65  
   56    58    59    64    74    77    57    60    61    62    63    65  
   58    59    64    66    77    57    60    62    63    65    68  
   60    61    78    62    58    64    66    71    74    77  
   59    64    66    67    70    74    77    62    63    65  
   64    66    77    62  
   61    64    74    77  
   77  
   63    65    68    69    64  
   65    68  
   66    67    70    71    74    77    78    72  
   68    69  
   67    70    71    74    77    75    72    73  
   70    71    77    72  
   69  
    0  
   71    74    77    78    75    76    82    72    73  
   74    77    78    79    80    81    75    76    82    83    72    73  
   73    74    75  
    0  
   77    78    79    80    81    75    76    82  
   76    82    83    84    85    86    77    78  
   82    83  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.316400   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   0.348900   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.625000   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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   83   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   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    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   268.000  1.529
   33    40   268.000  1.529
   33    43   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   317.000  1.522
   50    65   268.000  1.529
   50    53   320.000  1.410
   51    52   570.000  1.229
   51    55   310.000  1.470
   55    56   469.000  1.400
   55    57   469.000  1.400
   56    58   469.000  1.400
   56    62   310.000  1.470
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    66   469.000  1.400
   64    77   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   469.000  1.400
   70    72   450.000  1.364
   71    74   469.000  1.400
   71    75   310.000  1.470
   74    77   469.000  1.400
   74    78   317.000  1.510
   77    57   469.000  1.400
   57    60   450.000  1.364
   60    61   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   75    76   570.000  1.229
   75    82   214.000  1.327
   82    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   72    73   553.000  0.945
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    40   268.000  1.529
   65    68   320.000  1.410
   40    41   570.000  1.307
   40    42   340.000  1.090
   68    69   553.000  0.945
   53    54   553.000  0.945
   43    46   320.000  1.410
   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    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  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    40    65    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    46    60.00000  109.50000
   37    44    45    80.00000  120.40000
   37    44    50    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    50    51    75.00000  107.99600
   44    50    65    63.00000  111.10000
   44    50    53    90.00000  109.61100
   50    44    45    80.00000  120.40000
   50    51    52    80.00000  120.40000
   50    51    55    65.00000  115.47100
   50    65    62    63.00000  111.10000
   50    65    40    58.35000  112.70000
   50    65    68    50.00000  109.50000
   50    53    54    55.00000  108.50000
   51    55    56    60.00000  119.52600
   51    55    57    60.00000  119.52600
   55    51    52    75.00000  123.78400
   55    56    58    63.00000  120.00000
   55    56    62    60.00000  119.52600
   55    57    77    63.00000  120.00000
   55    57    60    70.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    64    63.00000  120.00000
   56    62    63    75.00000  123.78400
   56    62    65    65.00000  115.47100
   58    64    66    63.00000  120.00000
   58    64    77    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    70    63.00000  120.00000
   64    77    74    63.00000  120.00000
   64    77    57    63.00000  120.00000
   66    70    71    63.00000  120.00000
   66    70    72    70.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    74    63.00000  120.00000
   70    71    75    60.00000  119.52600
   70    72    73    35.00000  113.00000
   71    74    77    63.00000  120.00000
   71    74    78    70.00000  120.00000
   71    75    76    75.00000  123.78400
   71    75    82    81.00000  111.40000
   74    77    57    63.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    64    66    63.00000  120.00000
   77    57    60    70.00000  120.00000
   57    55    56    63.00000  120.00000
   57    60    61    35.00000  113.00000
   78    74    77    70.00000  120.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   75    71    74    60.00000  119.52600
   75    82    83    83.00000  116.90000
   82    75    76    83.00000  123.40000
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   72    70    71    70.00000  120.00000
   62    56    58    60.00000  119.52600
   62    65    40    63.00000  111.10000
   62    65    68    90.00000  109.61100
   65    50    51    63.00000  111.10000
   65    62    63    80.00000  120.40000
   65    40    41    50.00000  109.50000
   65    40    42    37.50000  110.70000
   65    68    69    55.00000  108.50000
   40    33    37    58.35000  112.70000
   42    40    41    45.00000  125.66300
   68    65    40    50.00000  109.50000
   53    50    51    90.00000  109.61100
   53    50    65    50.00000  109.50000
   43    33    37    50.00000  109.50000
   43    33    40    50.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    46   0.14700  1.0 1.0
   29    33    43    46  -1.16150 -1.0 2.0
   29    33    43    46   0.48700  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    50   0.60050  1.0 1.0
   33    37    44    50   0.05600 -1.0 2.0
   33    37    44    50   0.26150  1.0 3.0
   33    43    46    47   0.37050  1.0 3.0
   33    43    46    48   0.37050  1.0 3.0
   33    43    46    49   0.37050  1.0 3.0
   37    33    40    65   0.56750  1.0 1.0
   37    33    40    65  -0.07550 -1.0 2.0
   37    33    40    65   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    46   0.06250  1.0 1.0
   37    33    43    46  -0.01100 -1.0 2.0
   37    33    43    46   0.28050  1.0 3.0
   37    44    50    51   0.65300  1.0 1.0
   37    44    50    51  -0.03850 -1.0 2.0
   37    44    50    51   0.33900  1.0 3.0
   37    44   -50    65   0.60050  1.0 1.0
   37    44   -50    65   0.05600 -1.0 2.0
   37    44   -50    65   0.26150  1.0 3.0
   37    44    50    53   0.55300  1.0 1.0
   37    44    50    53   1.25850 -1.0 2.0
   37    44    50    53  -0.23600  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    50   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    50   0.00000  1.0 1.0
   44    50    51    52   0.30150 -1.0 2.0
   44    50    51    55   0.65300  1.0 1.0
   44    50    51    55  -0.03850 -1.0 2.0
   44    50    51    55   0.33900  1.0 3.0
   44    50    65    62   0.11950  1.0 1.0
   44    50    65    62   0.20300 -1.0 2.0
   44    50    65    62  -0.70800  1.0 3.0
   44    50    65    40  -0.95700  1.0 1.0
   44    50    65    40  -0.18200 -1.0 2.0
   44    50    65    40   0.29450  1.0 3.0
   44    50    65    68  -0.09450  1.0 1.0
   44    50    65    68  -1.12950 -1.0 2.0
   44    50    65    68   0.54000  1.0 3.0
   44    50    53    54   0.91850  1.0 1.0
   44    50    53    54   0.57950  1.0 3.0
   45    44    50    51   0.30150 -1.0 2.0
   45    44    50    65   0.30150 -1.0 2.0
   45    44    50    53   0.30150 -1.0 2.0
   50    51    55    56   2.26350  1.0 1.0
   50    51    55    56   0.76750 -1.0 2.0
   50    51    55    56   0.22500  1.0 3.0
   50    51    55    57   2.26350  1.0 1.0
   50    51    55    57   0.76750 -1.0 2.0
   50    51    55    57   0.22500  1.0 3.0
   50    65   -40    33   0.56750  1.0 1.0
   50    65   -40    33  -0.07550 -1.0 2.0
   50    65   -40    33   0.20000  1.0 3.0
   50    65    40    41   0.62750  1.0 1.0
   50    65    40    41  -0.30950 -1.0 2.0
   50    65    40    41   0.27300  1.0 3.0
   50    65    40    42   0.15000  1.0 3.0
   50    65    68    69  -0.11600  1.0 1.0
   50    65    68    69  -0.09450 -1.0 2.0
   50    65    68    69   0.21250  1.0 3.0
   51    50    65    62   0.11950  1.0 1.0
   51    50    65    62   0.20300 -1.0 2.0
   51    50    65    62  -0.70800  1.0 3.0
   51    50    65    40  -0.95700  1.0 1.0
   51    50    65    40  -0.18200 -1.0 2.0
   51    50    65    40   0.29450  1.0 3.0
   51    50    65    68  -0.09450  1.0 1.0
   51    50    65    68  -1.12950 -1.0 2.0
   51    50    65    68   0.54000  1.0 3.0
   51    50    53    54   0.91850  1.0 1.0
   51    50    53    54   0.57950  1.0 3.0
   51    55    56    58   3.62500 -1.0 2.0
   51    55   -56    62   3.62500 -1.0 2.0
   51    55    57    77   3.62500 -1.0 2.0
   51    55    57    60   3.62500 -1.0 2.0
   52    51    55    56   1.05000 -1.0 2.0
   52    51    55    57   1.05000 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    64   3.62500 -1.0 2.0
   55    56    62    63   1.05000 -1.0 2.0
   55    56    62    65   2.26350  1.0 1.0
   55    56    62    65   0.76750 -1.0 2.0
   55    56    62    65   0.22500  1.0 3.0
   55    57    60    61   0.84100 -1.0 2.0
   56    55    57    77   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   56    58    64    66   3.62500 -1.0 2.0
   56    58   -64    77   3.62500 -1.0 2.0
   56    62   -65    50   0.05850 -1.0 2.0
   56    62   -65    50   0.17250  1.0 3.0
   56    62    65    40   0.05850 -1.0 2.0
   56    62    65    40   0.17250  1.0 3.0
   56    62    65    68   0.65300  1.0 1.0
   56    62    65    68  -0.03850 -1.0 2.0
   56    62    65    68   0.33900  1.0 3.0
   58    56    62    63   1.05000 -1.0 2.0
   58    56    62    65   2.26350  1.0 1.0
   58    56    62    65   0.76750 -1.0 2.0
   58    56    62    65   0.22500  1.0 3.0
   58    64    66    67   3.62500 -1.0 2.0
   58    64    66    70   3.62500 -1.0 2.0
   58    64    77    74   3.62500 -1.0 2.0
   58    64    77    57   3.62500 -1.0 2.0
   59    58    64    66   3.62500 -1.0 2.0
   59    58    64    77   3.62500 -1.0 2.0
   64    66    70    71   3.62500 -1.0 2.0
   64    66    70    72   3.62500 -1.0 2.0
   64    77   -57    55   3.62500 -1.0 2.0
   64    77    57    60   3.62500 -1.0 2.0
   66    64    77    74   3.62500 -1.0 2.0
   66    64    77    57   3.62500 -1.0 2.0
   66    70   -71    74   3.62500 -1.0 2.0
   66    70    71    75   3.62500 -1.0 2.0
   66    70    72    73   0.84100 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    72   3.62500 -1.0 2.0
   70    71    74    77   3.62500 -1.0 2.0
   70    71    74    78   3.62500 -1.0 2.0
   70    71    75    76   1.05000 -1.0 2.0
   70    71    75    82   0.98750 -1.0 2.0
   71    70    72    73   0.84100 -1.0 2.0
   71    74   -77    64   3.62500 -1.0 2.0
   71    74    77    57   3.62500 -1.0 2.0
   71    74    78    79   0.00000  1.0 1.0
   71    74    78    80   0.00000  1.0 1.0
   71    74    78    81   0.00000  1.0 1.0
   71    75    82    83   0.59950  1.0 1.0
   71    75    82    83   3.24850 -1.0 2.0
   74    71    75    76   1.05000 -1.0 2.0
   74    71    75    82   0.98750 -1.0 2.0
   74    77    57    55   3.62500 -1.0 2.0
   74    77    57    60   3.62500 -1.0 2.0
   77    64    66    67   3.62500 -1.0 2.0
   77    64   -66    70   3.62500 -1.0 2.0
   77    74    78    79   0.00000  1.0 1.0
   77    74    78    80   0.00000  1.0 1.0
   77    74    78    81   0.00000  1.0 1.0
   77    57    60    61   0.84100 -1.0 2.0
   57    55   -56    58   3.62500 -1.0 2.0
   57    55    56    62   3.62500 -1.0 2.0
   78    74    77    64   3.62500 -1.0 2.0
   78    74    77    57   3.62500 -1.0 2.0
   75    71    74    77   3.62500 -1.0 2.0
   75    71    74    78   3.62500 -1.0 2.0
   75    82    83    84   0.08050  1.0 3.0
   75    82    83    85   0.08050  1.0 3.0
   75    82    83    86   0.08050  1.0 3.0
   76    75    82    83   3.00000 -1.0 2.0
   72    70    71    74   3.62500 -1.0 2.0
   72    70    71    75   3.62500 -1.0 2.0
   62    56    58    59   3.62500 -1.0 2.0
   62    56    58    64   3.62500 -1.0 2.0
   62    65    40    33  -0.95700  1.0 1.0
   62    65    40    33  -0.18200 -1.0 2.0
   62    65    40    33   0.29450  1.0 3.0
   62    65    40    41  -0.09450  1.0 1.0
   62    65    40    41  -1.12950 -1.0 2.0
   62    65    40    41   0.54000  1.0 3.0
   62    65    40    42  -0.11250  1.0 3.0
   62    65    68    69   0.91850  1.0 1.0
   62    65    68    69   0.57950  1.0 3.0
   63    62    65    50   0.30150 -1.0 2.0
   63    62    65    40   0.30150 -1.0 2.0
   63    62    65    68   0.30150 -1.0 2.0
   65    50    51    52   0.30150 -1.0 2.0
   65    50   -51    55   0.05850 -1.0 2.0
   65    50   -51    55   0.17250  1.0 3.0
   65    50    53    54  -0.11600  1.0 1.0
   65    50    53    54  -0.09450 -1.0 2.0
   65    50    53    54   0.21250  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    44  -0.95700  1.0 1.0
   40    33   -37    44  -0.18200 -1.0 2.0
   40    33   -37    44   0.29450  1.0 3.0
   40    33    43    46   0.06250  1.0 1.0
   40    33    43    46  -0.01100 -1.0 2.0
   40    33    43    46   0.28050  1.0 3.0
   40    65    68    69  -0.11600  1.0 1.0
   40    65    68    69  -0.09450 -1.0 2.0
   40    65    68    69   0.21250  1.0 3.0
   68    65    40    33   0.86500  1.0 1.0
   68    65    40    33  -0.17500 -1.0 2.0
   68    65    40    33   0.20800  1.0 3.0
   68    65    40    41   3.69350  1.0 1.0
   68    65    40    41  -1.82950 -1.0 2.0
   68    65    40    42   0.23400  1.0 3.0
   53    50    51    52   0.30150 -1.0 2.0
   53    50    51    55   0.65300  1.0 1.0
   53    50    51    55  -0.03850 -1.0 2.0
   53    50    51    55   0.33900  1.0 3.0
   53    50    65    62  -0.09450  1.0 1.0
   53    50    65    62  -1.12950 -1.0 2.0
   53    50    65    62   0.54000  1.0 3.0
   53    50    65    40   0.86500  1.0 1.0
   53    50    65    40  -0.17500 -1.0 2.0
   53    50    65    40   0.20800  1.0 3.0
   53    50    65    68   3.75450  1.0 1.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    44  -0.09450  1.0 1.0
   43    33    37    44  -1.12950 -1.0 2.0
   43    33    37    44   0.54000  1.0 3.0
   43    33    40    65   0.62750  1.0 1.0
   43    33    40    65  -0.30950 -1.0 2.0
   43    33    40    65   0.27300  1.0 3.0
   43    33    40    41   1.11900  1.0 1.0
   43    33    40    41  -1.16350 -1.0 2.0
   43    33    40    41  -0.34150  1.0 3.0
   43    33    40    42   0.23400  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
   35    30    34    36  10.50000 -1.0 2.0
   37    50    44    45  10.50000 -1.0 2.0
   50    55    51    52  10.50000 -1.0 2.0
   56    57    55    51   4.00000 -1.0 2.0
   58    62    56    55   4.00000 -1.0 2.0
   64    59    58    56   1.10000 -1.0 2.0
   66    77    64    58   4.00000 -1.0 2.0
   70    67    66    64   1.10000 -1.0 2.0
   71    72    70    66   4.00000 -1.0 2.0
   74    75    71    70   4.00000 -1.0 2.0
   77    78    74    71   4.00000 -1.0 2.0
   74    57    77    64   4.00000 -1.0 2.0
   77    60    57    55   4.00000 -1.0 2.0
   71    82    75    76  10.50000 -1.0 2.0
   56    65    62    63  10.50000 -1.0 2.0
END
