* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    154    245     454
    1     0 S   NP   _N1_     1    28.17834    95.59734   -25.98796
    2     1 S   H    _HN1     2     1.02957    84.15201    -4.57303
    3     1 S   H    _H1_     3     1.02836    22.92784   173.81122
    4     1 S   H    _H2_     4     1.02777   115.96767  -112.13400
    5     1 S   CT   _CA1     5     1.50150   121.31440   105.77901
    6     5 S   HC   _HA1     6     1.09575   105.19526    81.97831
    7     5 S   CO3  _C1_     7     1.53764   112.26407   -38.18476
    8     7 S   O2Z  _O11     8     1.26369   114.98814   -45.42888
    9     7 S   O2Z  _O12     9     1.26220   114.91671   133.46753
   10     5 S   CT   _CB1    10     1.53074   107.39860  -160.15264
   11    10 S   HC   HB11    11     1.09833   109.29714   -50.22869
   12    10 S   HC   HB12    12     1.09814   110.45304    66.30071
   13    10 S   CT   _CG1    13     1.53052   112.72050  -171.25920
   14    13 S   HC   HG11    14     1.09588   110.56558   -65.29865
   15    13 S   HC   HG12    15     1.09658   109.87420    53.94269
   16    13 S   C    _CD1    16     1.51857   112.13985   174.29985
   17    16 S   O    _OE1    17     1.22782   123.21458     3.91982
   18    16 S   N    _N2_    18     1.38556   111.87120  -176.07704
   19    18 S   H    _HN2    19     1.01570   119.20664     3.29289
   20    18 S   CT1  _CA2    20     1.45848   122.69685   177.86283
   21    20 S   HC   _HA2    21     1.09738   108.75625    27.76287
   22    20 S   C    _C2_    22     1.52986   107.01431   -89.25567
   23    22 S   O    _O2_    23     1.22989   123.07717   -27.40433
   24    20 S   CT   _CB2    32     1.53238   112.41572   150.94335
   25    24 S   HC   HB21    33     1.09472   109.94959    55.68503
   26    24 S   HC   HB22    34     1.09488   109.69899   174.41405
   27    22 S   N    _N3_    24     1.38516   112.59699   155.18264
   28    27 S   H    _HN3    25     1.01661   120.33439    -1.73031
   29    24 S   S    _SG2    35     1.82741   110.96854   -65.71981
   30    27 S   CT   _CA3    26     1.45351   122.43821   178.72804
   31    30 S   HC   HA31    27     1.09568   107.71965   -57.51542
   32    30 S   HC   HA32    28     1.09565   107.67787    58.78922
   33    29 S   CT   _C16    36     1.92319   100.81455   175.69302
   34    30 S   CO3  _C3_    29     1.52880   114.39105  -179.38866
   35    34 S   O2Z  _O31    30     1.26326   116.08637    -0.65938
   36    34 S   O2Z  _O32    31     1.26444   114.40029   179.33002
   37    33 S   CM   _C15    37     1.52344   103.25550   -79.78290
   38    37 S   HC   _H9_    38     1.09041   115.39274    66.74994
   39    33 S   CT   _C17    74     1.58940   112.90314   158.79541
   40    39 S   OM   _O37    75     1.32863   110.57782   -43.39367
   41    39 S   HC   _H3_    76     1.09798   105.80407  -169.00103
   42    33 S   OS   _O38    81     1.44446   107.06282    35.45052
   43    37 S   CMA  _C14    39     1.35206   127.51131  -113.04572
   44    43 S   OM   _O39    40     1.26598   128.21875   178.13554
   45    42 S   CT   _C20    82     1.41942   117.35110  -179.69481
   46    45 S   HC   _H11    83     1.09389   107.79522   164.37133
   47    45 S   HC   _H12    84     1.09313   112.30241    45.38814
   48    45 S   HC   _H13    85     1.09312   110.57159   -78.55959
   49    43 S   CT   _C13    41     1.55129   118.83343    -1.46634
   50    49 S   CO4  _C12    42     1.54504   109.72895   -98.71540
   51    50 S   O    _O34    43     1.22929   123.54496   -11.53423
   52    49 S   OH   _O40    79     1.43822   111.29497   145.74041
   53    52 S   HO   _H14    80     0.97453   106.11679    30.72595
   54    50 S   CA   _C10    44     1.49048   118.03214   168.85237
   55    54 S   CA   _C9_    45     1.38890   119.24771   -16.41751
   56    54 S   CA   _C11    55     1.41495   121.79805   163.63487
   57    55 S   CA   _C8_    46     1.39730   119.79090   179.53186
   58    57 S   HA   _H7_    47     1.09014   119.19671   179.97202
   59    56 S   OH   _O33    56     1.37589   119.76308    -0.84534
   60    59 S   HO   _H8_    57     0.97327   109.85607     4.33824
   61    55 S   CO4  _C19    71     1.48124   121.83834    -0.23656
   62    61 S   O    _O35    72     1.23013   119.21596   166.74327
   63    57 S   CA   _C7_    48     1.40238   121.69123     0.45585
   64    49 S   CT   _C18    73     1.54978   112.95859    23.73407
   65    63 S   CA   _C21    49     1.40199   117.99153   179.90721
   66    65 S   HA   _H15    50     1.08897   119.95682    -0.03956
   67    64 S   OH   _O36    77     1.43452   108.63292    69.37050
   68    67 S   HO   _H10    78     0.97407   106.06567  -167.32971
   69    65 S   CA   _C22    51     1.38686   120.85623   179.86012
   70    69 S   CA   _C23    52     1.39049   119.83152     0.03956
   71    69 S   OH   _O43    69     1.36746   120.20626  -179.82306
   72    71 S   HO   _H19    70     0.97239   109.03396    -0.45154
   73    70 S   CA   _C5_    53     1.41394   121.18035     0.52265
   74    70 S   CO4  _C24    62     1.46974   117.44370   179.66428
   75    74 S   O    _O41    63     1.21814   123.89749   -87.05697
   76    63 S   CA   _C6_    54     1.42156   120.86356    -0.04846
   77    73 S   CT   _C4_    58     1.51265   119.29271   179.07613
   78    77 S   HC   _H4_    59     1.09473   110.22466  -120.84263
   79    77 S   HC   _H5_    60     1.09310   113.49965    -2.28662
   80    77 S   HC   _H6_    61     1.09463   110.18452   116.84785
   81    74 S   OS   _O42    64     1.35578   107.34946    93.06482
   82    81 S   CT   _C25    65     1.42984   114.78487  -180.00000
   83    82 S   HC   _H16    66     1.09327   108.13108   179.84934
   84    82 S   HC   _H17    67     1.09430   110.30984    61.12073
   85    82 S   HC   _H18    68     1.09431   110.28109   -61.44563
  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
  16   2   1   1  12   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    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    64    39    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    49    61    64    39    40    41    67    42    45    46    47    48  
   35    36  
   36  
    0  
   38    43    44    49    50    64    39    40    41    52    42    45  
   43    44    49    39    42  
   40    41    67    68    52    42    45    43    49    50    55    61    62    64  
   41    67    42    49    61    64  
   67    42    49    61    64  
   45    46    47    48    43    64  
   44    49    50    51    54    61    64    67    52    53  
   49    50    64    52  
   46    47    48  
   47    48  
   48  
    0  
   50    51    54    55    56    61    62    64    67    68    52    53  
   51    54    55    57    76    56    59    61    64    67    52    53  
   54    55    56    64    52  
   53    54    61    64    67  
   64  
   55    57    58    63    73    76    56    59    60    61    62    64  
   57    58    63    65    76    56    59    61    62    64    67  
   59    60    77    61    57    63    65    70    73    76  
   58    63    65    66    69    73    76    61    62    64  
   63    65    76    61  
   60    63    73    76  
   76  
   62    64    67    68    63  
   64    67  
   65    66    69    70    73    76    77    71  
   67    68  
   66    69    70    73    76    74    71    72  
   69    70    76    71  
   68  
    0  
   70    73    76    77    74    75    81    71    72  
   73    76    77    78    79    80    74    75    81    82    71    72  
   72    73    74  
    0  
   76    77    78    79    80    74    75    81  
   75    81    82    83    84    85    76    77  
   81    82  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
   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  -0.316400   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   0.417900   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   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   82   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    49   270.000  1.512
   49    50   317.000  1.522
   49    64   268.000  1.529
   49    52   320.000  1.410
   50    51   570.000  1.229
   50    54   310.000  1.470
   54    55   469.000  1.400
   54    56   469.000  1.400
   55    57   469.000  1.400
   55    61   310.000  1.470
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    65   469.000  1.400
   63    76   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   469.000  1.400
   69    71   450.000  1.364
   70    73   469.000  1.400
   70    74   310.000  1.470
   73    76   469.000  1.400
   73    77   317.000  1.510
   76    56   469.000  1.400
   56    59   450.000  1.364
   59    60   553.000  0.945
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   74    75   570.000  1.229
   74    81   214.000  1.327
   81    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   71    72   553.000  0.945
   61    62   570.000  1.229
   61    64   317.000  1.522
   64    39   268.000  1.529
   64    67   320.000  1.410
   39    40   570.000  1.307
   39    41   340.000  1.090
   67    68   553.000  0.945
   52    53   553.000  0.945
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    39    64    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    45    60.00000  109.50000
   37    43    44    65.00000  137.10300
   37    43    49    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    49    50    70.00000  109.06800
   43    49    64    70.00000  112.02700
   43    49    52    90.00000  110.39200
   49    43    44    85.00000  112.85300
   49    50    51    80.00000  120.40000
   49    50    54    65.00000  115.47100
   49    64    61    63.00000  111.10000
   49    64    39    58.35000  112.70000
   49    64    67    50.00000  109.50000
   49    52    53    55.00000  108.50000
   50    54    55    60.00000  119.52600
   50    54    56    60.00000  119.52600
   54    50    51    75.00000  123.78400
   54    55    57    63.00000  120.00000
   54    55    61    60.00000  119.52600
   54    56    76    63.00000  120.00000
   54    56    59    70.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    63    63.00000  120.00000
   55    61    62    75.00000  123.78400
   55    61    64    65.00000  115.47100
   57    63    65    63.00000  120.00000
   57    63    76    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    69    63.00000  120.00000
   63    76    73    63.00000  120.00000
   63    76    56    63.00000  120.00000
   65    69    70    63.00000  120.00000
   65    69    71    70.00000  120.00000
   69    65    66    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    70    74    60.00000  119.52600
   69    71    72    35.00000  113.00000
   70    73    76    63.00000  120.00000
   70    73    77    70.00000  120.00000
   70    74    75    75.00000  123.78400
   70    74    81    81.00000  111.40000
   73    76    56    63.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   76    63    65    63.00000  120.00000
   76    56    59    70.00000  120.00000
   56    54    55    63.00000  120.00000
   56    59    60    35.00000  113.00000
   77    73    76    70.00000  120.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   74    70    73    60.00000  119.52600
   74    81    82    83.00000  116.90000
   81    74    75    83.00000  123.40000
   81    82    83    35.00000  109.50000
   81    82    84    35.00000  109.50000
   81    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   71    69    70    70.00000  120.00000
   61    55    57    60.00000  119.52600
   61    64    39    63.00000  111.10000
   61    64    67    90.00000  109.61100
   64    49    50    63.00000  111.10000
   64    61    62    80.00000  120.40000
   64    39    40    50.00000  109.50000
   64    39    41    37.50000  110.70000
   64    67    68    55.00000  108.50000
   39    33    37    70.00000  112.02700
   41    39    40    45.00000  125.66300
   67    64    39    50.00000  109.50000
   52    49    50    90.00000  109.61100
   52    49    64    50.00000  109.50000
   42    33    37    85.00000  110.90400
   42    33    39    50.00000  109.50000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   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   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    39    64   0.44750  1.0 1.0
   29    33    39    64  -0.17800 -1.0 2.0
   29    33    39    64   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    45   0.14700  1.0 1.0
   29    33    42    45  -1.16150 -1.0 2.0
   29    33    42    45   0.48700  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    49   7.00000 -1.0 2.0
   33    42    45    46   0.37050  1.0 3.0
   33    42    45    47   0.37050  1.0 3.0
   33    42    45    48   0.37050  1.0 3.0
   37    33    39    64   0.34400  1.0 1.0
   37    33    39    64   0.09450 -1.0 2.0
   37    33    39    64   0.11100  1.0 3.0
   37    33    39    40   0.61850  1.0 1.0
   37    33    39    40  -0.22750 -1.0 2.0
   37    33    39    40   0.15300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    42    45  -0.77900  1.0 1.0
   37    33    42    45  -0.36900 -1.0 2.0
   37    33    42    45   0.40400  1.0 3.0
   37    43    49    50  -0.51250  1.0 1.0
   37    43    49    50  -0.88800 -1.0 2.0
   37    43    49    50   0.08850  1.0 3.0
   37    43   -49    64   0.09850  1.0 1.0
   37    43   -49    64   0.15250 -1.0 2.0
   37    43   -49    64  -0.50650  1.0 3.0
   37    43    49    52   0.67800  1.0 1.0
   37    43    49    52   0.47050 -1.0 2.0
   37    43    49    52  -0.62500  1.0 3.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    49   7.00000 -1.0 2.0
   43    49    50    51   0.30150 -1.0 2.0
   43    49    50    54   0.65300  1.0 1.0
   43    49    50    54  -0.03850 -1.0 2.0
   43    49    50    54   0.33900  1.0 3.0
   43    49    64    61  -0.98800  1.0 1.0
   43    49    64    61   0.48800 -1.0 2.0
   43    49    64    61   0.76800  1.0 3.0
   43    49    64    39   0.34400  1.0 1.0
   43    49    64    39   0.09450 -1.0 2.0
   43    49    64    39   0.11100  1.0 3.0
   43    49    64    67   1.05650  1.0 1.0
   43    49    64    67   0.15600 -1.0 2.0
   43    49    64    67   0.53150  1.0 3.0
   43    49    52    53  -0.07800  1.0 1.0
   43    49    52    53  -0.21500 -1.0 2.0
   43    49    52    53  -0.03150  1.0 3.0
   44    43    49    50   0.09700  1.0 1.0
   44    43    49    50   0.15600 -1.0 2.0
   44    43    49    50  -0.50800  1.0 3.0
   44    43    49    64   0.09700  1.0 1.0
   44    43    49    64   0.15600 -1.0 2.0
   44    43    49    64  -0.50800  1.0 3.0
   44    43    49    52   0.09700  1.0 1.0
   44    43    49    52   0.15600 -1.0 2.0
   44    43    49    52  -0.50800  1.0 3.0
   49    50    54    55   2.26350  1.0 1.0
   49    50    54    55   0.76750 -1.0 2.0
   49    50    54    55   0.22500  1.0 3.0
   49    50    54    56   2.26350  1.0 1.0
   49    50    54    56   0.76750 -1.0 2.0
   49    50    54    56   0.22500  1.0 3.0
   49    64   -39    33   0.56750  1.0 1.0
   49    64   -39    33  -0.07550 -1.0 2.0
   49    64   -39    33   0.20000  1.0 3.0
   49    64    39    40   0.62750  1.0 1.0
   49    64    39    40  -0.30950 -1.0 2.0
   49    64    39    40   0.27300  1.0 3.0
   49    64    39    41   0.15000  1.0 3.0
   49    64    67    68  -0.11600  1.0 1.0
   49    64    67    68  -0.09450 -1.0 2.0
   49    64    67    68   0.21250  1.0 3.0
   50    49    64    61   0.11950  1.0 1.0
   50    49    64    61   0.20300 -1.0 2.0
   50    49    64    61  -0.70800  1.0 3.0
   50    49    64    39  -0.95700  1.0 1.0
   50    49    64    39  -0.18200 -1.0 2.0
   50    49    64    39   0.29450  1.0 3.0
   50    49    64    67  -0.09450  1.0 1.0
   50    49    64    67  -1.12950 -1.0 2.0
   50    49    64    67   0.54000  1.0 3.0
   50    49    52    53   0.91850  1.0 1.0
   50    49    52    53   0.57950  1.0 3.0
   50    54    55    57   3.62500 -1.0 2.0
   50    54   -55    61   3.62500 -1.0 2.0
   50    54    56    76   3.62500 -1.0 2.0
   50    54    56    59   3.62500 -1.0 2.0
   51    50    54    55   1.05000 -1.0 2.0
   51    50    54    56   1.05000 -1.0 2.0
   54    55    57    58   3.62500 -1.0 2.0
   54    55    57    63   3.62500 -1.0 2.0
   54    55    61    62   1.05000 -1.0 2.0
   54    55    61    64   2.26350  1.0 1.0
   54    55    61    64   0.76750 -1.0 2.0
   54    55    61    64   0.22500  1.0 3.0
   54    56    59    60   0.84100 -1.0 2.0
   55    54    56    76   3.62500 -1.0 2.0
   55    54    56    59   3.62500 -1.0 2.0
   55    57    63    65   3.62500 -1.0 2.0
   55    57   -63    76   3.62500 -1.0 2.0
   55    61   -64    49   0.05850 -1.0 2.0
   55    61   -64    49   0.17250  1.0 3.0
   55    61    64    39   0.05850 -1.0 2.0
   55    61    64    39   0.17250  1.0 3.0
   55    61    64    67   0.65300  1.0 1.0
   55    61    64    67  -0.03850 -1.0 2.0
   55    61    64    67   0.33900  1.0 3.0
   57    55    61    62   1.05000 -1.0 2.0
   57    55    61    64   2.26350  1.0 1.0
   57    55    61    64   0.76750 -1.0 2.0
   57    55    61    64   0.22500  1.0 3.0
   57    63    65    66   3.62500 -1.0 2.0
   57    63    65    69   3.62500 -1.0 2.0
   57    63    76    73   3.62500 -1.0 2.0
   57    63    76    56   3.62500 -1.0 2.0
   58    57    63    65   3.62500 -1.0 2.0
   58    57    63    76   3.62500 -1.0 2.0
   63    65    69    70   3.62500 -1.0 2.0
   63    65    69    71   3.62500 -1.0 2.0
   63    76   -56    54   3.62500 -1.0 2.0
   63    76    56    59   3.62500 -1.0 2.0
   65    63    76    73   3.62500 -1.0 2.0
   65    63    76    56   3.62500 -1.0 2.0
   65    69   -70    73   3.62500 -1.0 2.0
   65    69    70    74   3.62500 -1.0 2.0
   65    69    71    72   0.84100 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    70    73    76   3.62500 -1.0 2.0
   69    70    73    77   3.62500 -1.0 2.0
   69    70    74    75   1.05000 -1.0 2.0
   69    70    74    81   0.98750 -1.0 2.0
   70    69    71    72   0.84100 -1.0 2.0
   70    73   -76    63   3.62500 -1.0 2.0
   70    73    76    56   3.62500 -1.0 2.0
   70    73    77    78   0.00000  1.0 1.0
   70    73    77    79   0.00000  1.0 1.0
   70    73    77    80   0.00000  1.0 1.0
   70    74    81    82   0.59950  1.0 1.0
   70    74    81    82   3.24850 -1.0 2.0
   73    70    74    75   1.05000 -1.0 2.0
   73    70    74    81   0.98750 -1.0 2.0
   73    76    56    54   3.62500 -1.0 2.0
   73    76    56    59   3.62500 -1.0 2.0
   76    63    65    66   3.62500 -1.0 2.0
   76    63   -65    69   3.62500 -1.0 2.0
   76    73    77    78   0.00000  1.0 1.0
   76    73    77    79   0.00000  1.0 1.0
   76    73    77    80   0.00000  1.0 1.0
   76    56    59    60   0.84100 -1.0 2.0
   56    54   -55    57   3.62500 -1.0 2.0
   56    54    55    61   3.62500 -1.0 2.0
   77    73    76    63   3.62500 -1.0 2.0
   77    73    76    56   3.62500 -1.0 2.0
   74    70    73    76   3.62500 -1.0 2.0
   74    70    73    77   3.62500 -1.0 2.0
   74    81    82    83   0.08050  1.0 3.0
   74    81    82    84   0.08050  1.0 3.0
   74    81    82    85   0.08050  1.0 3.0
   75    74    81    82   3.00000 -1.0 2.0
   71    69    70    73   3.62500 -1.0 2.0
   71    69    70    74   3.62500 -1.0 2.0
   61    55    57    58   3.62500 -1.0 2.0
   61    55    57    63   3.62500 -1.0 2.0
   61    64    39    33  -0.95700  1.0 1.0
   61    64    39    33  -0.18200 -1.0 2.0
   61    64    39    33   0.29450  1.0 3.0
   61    64    39    40  -0.09450  1.0 1.0
   61    64    39    40  -1.12950 -1.0 2.0
   61    64    39    40   0.54000  1.0 3.0
   61    64    39    41  -0.11250  1.0 3.0
   61    64    67    68   0.91850  1.0 1.0
   61    64    67    68   0.57950  1.0 3.0
   62    61    64    49   0.30150 -1.0 2.0
   62    61    64    39   0.30150 -1.0 2.0
   62    61    64    67   0.30150 -1.0 2.0
   64    49    50    51   0.30150 -1.0 2.0
   64    49   -50    54   0.05850 -1.0 2.0
   64    49   -50    54   0.17250  1.0 3.0
   64    49    52    53  -0.11600  1.0 1.0
   64    49    52    53  -0.09450 -1.0 2.0
   64    49    52    53   0.21250  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33   -37    43   0.09850  1.0 1.0
   39    33   -37    43   0.15250 -1.0 2.0
   39    33   -37    43  -0.50650  1.0 3.0
   39    33    42    45   0.06250  1.0 1.0
   39    33    42    45  -0.01100 -1.0 2.0
   39    33    42    45   0.28050  1.0 3.0
   39    64    67    68  -0.11600  1.0 1.0
   39    64    67    68  -0.09450 -1.0 2.0
   39    64    67    68   0.21250  1.0 3.0
   67    64    39    33   0.86500  1.0 1.0
   67    64    39    33  -0.17500 -1.0 2.0
   67    64    39    33   0.20800  1.0 3.0
   67    64    39    40   3.69350  1.0 1.0
   67    64    39    40  -1.82950 -1.0 2.0
   67    64    39    41   0.23400  1.0 3.0
   52    49    50    51   0.30150 -1.0 2.0
   52    49    50    54   0.65300  1.0 1.0
   52    49    50    54  -0.03850 -1.0 2.0
   52    49    50    54   0.33900  1.0 3.0
   52    49    64    61  -0.09450  1.0 1.0
   52    49    64    61  -1.12950 -1.0 2.0
   52    49    64    61   0.54000  1.0 3.0
   52    49    64    39   0.86500  1.0 1.0
   52    49    64    39  -0.17500 -1.0 2.0
   52    49    64    39   0.20800  1.0 3.0
   52    49    64    67   3.75450  1.0 1.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    37    43   0.39000  1.0 1.0
   42    33    37    43  -0.05800 -1.0 2.0
   42    33    37    43  -0.55150  1.0 3.0
   42    33    39    64   0.62750  1.0 1.0
   42    33    39    64  -0.30950 -1.0 2.0
   42    33    39    64   0.27300  1.0 3.0
   42    33    39    40   1.11900  1.0 1.0
   42    33    39    40  -1.16350 -1.0 2.0
   42    33    39    40  -0.34150  1.0 3.0
   42    33    39    41   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
   33    38    37    43   1.10000 -1.0 2.0
   49    44    43    37   1.10000 -1.0 2.0
   49    54    50    51  10.50000 -1.0 2.0
   55    56    54    50   4.00000 -1.0 2.0
   57    61    55    54   4.00000 -1.0 2.0
   63    58    57    55   1.10000 -1.0 2.0
   65    76    63    57   4.00000 -1.0 2.0
   69    66    65    63   1.10000 -1.0 2.0
   70    71    69    65   4.00000 -1.0 2.0
   73    74    70    69   4.00000 -1.0 2.0
   76    77    73    70   4.00000 -1.0 2.0
   73    56    76    63   4.00000 -1.0 2.0
   76    59    56    54   4.00000 -1.0 2.0
   70    81    74    75  10.50000 -1.0 2.0
   55    64    61    62  10.50000 -1.0 2.0
END
