* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    164    251     468
    1     0 S   NP   _N1_     1    28.37029    92.67642   -22.17236
    2     1 S   H    _HN1     2     1.02829    26.18108   113.82484
    3     1 S   H    _H1_     3     1.02775    87.66790  -104.84348
    4     1 S   H    _H2_     4     1.02987    99.05300     3.30340
    5     1 S   CT   _CA1     5     1.50148   135.67767   135.16208
    6     5 S   HC   _HA1     6     1.09573   105.30023    49.60777
    7     5 S   CO3  _C1_     7     1.53798   112.25291   -70.61277
    8     7 S   O2Z  _O11     8     1.26347   115.03068   -46.12351
    9     7 S   O2Z  _O12     9     1.26241   114.90831   132.99086
   10     5 S   CT   _CB1    10     1.53034   107.29000   167.42334
   11    10 S   HC   HB11    11     1.09825   109.29981   -51.94340
   12    10 S   HC   HB12    12     1.09787   110.27519    64.40159
   13    10 S   CT   _CG1    13     1.53045   112.88952  -173.21933
   14    13 S   HC   HG11    14     1.09592   110.32638   -61.23615
   15    13 S   HC   HG12    15     1.09612   110.23194    58.09767
   16    13 S   C    _CD1    16     1.51758   111.92635   178.29521
   17    16 S   O    _OE1    17     1.22732   123.07547   -11.90979
   18    16 S   N    _N2_    18     1.38471   111.99479   168.42766
   19    18 S   H    _HN2    19     1.01557   119.15961     5.95667
   20    18 S   CT1  _CA2    20     1.45871   122.89011  -177.71056
   21    20 S   HC   _HA2    21     1.09592   108.53781    26.56985
   22    20 S   C    _C2_    22     1.52818   107.50472   -90.52980
   23    22 S   O    _O2_    23     1.22946   122.90585   -28.33227
   24    20 S   CT   _CB2    32     1.53323   112.12962   149.56945
   25    24 S   HC   HB21    33     1.09654   109.77023    60.17065
   26    24 S   HC   HB22    34     1.09558   111.42057   177.95493
   27    22 S   N    _N3_    24     1.38618   112.36155   154.56721
   28    27 S   H    _HN3    25     1.01502   119.73364     0.65162
   29    24 S   S    _SG2    35     1.82540   112.78957   -58.80149
   30    27 S   CT   _CA3    26     1.45441   122.81009   175.59669
   31    30 S   HC   HA31    27     1.09541   108.90156    31.05056
   32    30 S   HC   HA32    28     1.09480   107.18875   148.14757
   33    29 S   CT   _C21    36     1.82295    99.89320   -80.38223
   34    33 S   HC   _H19    37     1.09467   107.62884   -80.77154
   35    33 S   HC   _H20    38     1.09324   111.17513    35.60318
   36    30 S   CO3  _C3_    29     1.53042   113.58630   -91.97220
   37    36 S   O2Z  _O31    30     1.26374   115.78409   -32.70515
   38    36 S   O2Z  _O32    31     1.26407   114.72372   148.17780
   39    33 S   CM   _C19    39     1.50009   109.68774   157.53729
   40    39 S   CMA  _C20    40     1.35060   127.61587   105.50107
   41    40 S   OM   _O36    41     1.26246   128.44997     0.66352
   42    40 S   OS   _O35    42     1.42522   108.87936  -176.85073
   43    42 S   CT   _C17    43     1.43904   104.92533   -24.26118
   44    43 S   HC   _H6_    44     1.10043   106.43432   -81.67613
   45    43 S   CT   _C16    45     1.53901   112.79816   158.49982
   46    45 S   HC   _H5_    46     1.09815   109.73585   -70.27406
   47    39 S   CT   _C18    54     1.50385   122.46263   -71.72109
   48    47 S   HC   _H7_    55     1.09994   106.28830    84.23895
   49    45 S   CM   _C12    47     1.54934   111.29481   168.79194
   50    49 S   CM   _C11    48     1.35126   128.25843    54.11378
   51    49 S   CT   _C13    75     1.52430   108.65069  -125.48850
   52    51 S   HC   _H17    76     1.09544   110.01521   117.59339
   53    51 S   HC   _H18    77     1.09507   111.16157  -121.00107
   54    50 S   CT   _C10    49     1.51430   124.19397    -0.50046
   55    54 S   HC   _H15    50     1.09748   109.05458    71.46561
   56    54 S   HC   _H16    51     1.09821   108.34385  -174.44550
   57    50 S   CT   _C23    70     1.51380   122.35440   179.88297
   58    57 S   HC   _H24    71     1.09571   109.87119   123.52758
   59    57 S   HC   _H25    72     1.09242   113.62780     3.18063
   60    51 S   C3T  _C14    78     1.49028   107.34477    -1.00561
   61    60 S   HC   _H4_    79     1.07655   117.40285   148.11708
   62    54 S   CT   _C9_    52     1.53535   116.48463   -54.29291
   63    62 S   HC   _H3_    53     1.09529   107.29912  -168.38265
   64    57 S   OH   _O38    73     1.42291   109.29479  -117.24525
   65    64 S   HO   _H26    74     0.97219   106.87736  -178.70881
   66    45 S   C3T  _C15    80     1.53039   115.02760    49.63448
   67    62 S   OS   _O34    56     1.44265   110.53755   -49.36563
   68    60 S   O3T  _O37    81     1.42934   114.98946   -62.32672
   69    66 S   CT   _C22    82     1.48727   124.33909   -30.24156
   70    69 S   HC   _H21    83     1.09622   111.43123  -174.88791
   71    69 S   HC   _H22    84     1.09417   111.00478    66.09557
   72    69 S   HC   _H23    85     1.09421   110.87011   -55.71753
   73    67 S   CO4  _C8_    57     1.35615   118.16640   -83.47224
   74    73 S   O    _O33    58     1.22027   127.18746    -0.28393
   75    73 S   CM   _C6_    59     1.48432   108.28286  -179.75213
   76    75 S   CM   _C5_    60     1.34459   120.48140  -134.59550
   77    76 S   HC   _H11    61     1.08918   117.80706  -177.83129
   78    75 S   CT   _C7_    66     1.50022   116.83094    47.50622
   79    78 S   HC   _H12    67     1.09489   110.69086   -70.86776
   80    78 S   HC   _H13    68     1.09522   110.42763    49.32650
   81    78 S   HC   _H14    69     1.09518   111.93016   168.97950
   82    76 S   CT   _C4_    62     1.49586   128.16460     3.89782
   83    82 S   HC   _H8_    63     1.09403   109.95508  -110.00047
   84    82 S   HC   _H9_    64     1.09502   109.34600   131.47141
   85    82 S   HC   _H10    65     1.09244   113.54500    12.05606
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  16   7  19   8  11   4
  17  16   9   5   4  10   5   4   5   3   2   7   3   5   2   1
   1   5   5   4   3   2   1   1   9   3  10   9   5   4   2   1
   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    62    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    54    62    63    47    48    67  
   41    42    43    44    45    62    47    48  
   42    43    47  
   43    44    45    46    49    62    47    48    66  
   44    45    46    49    50    54    62    63    47    48    67    51    60    66    68    69  
   45    46    49    62    47    48    66  
   46    49    50    54    62    47    48    57    51    52    53    60    61    66    68    69    70    71    72  
   49    50    47    51    60    66    68    69  
   48    67    73    66    49    50    54    55    56    62    63  
   67    54    62    63  
   50    54    55    56    62    57    58    59    64    51    52    53    60    61    66    68    69  
   54    55    56    62    63    67    57    58    59    64    65    51    52    53    60    66  
   52    53    60    61    66    68    69    54    57  
   53    60    61    66    68  
   60    61    66    68  
   55    56    62    63    67    73    57    58    59    64  
   56    62    63    67    57  
   62    63    67    57  
   58    59    64    65    62  
   59    64    65  
   64    65  
   61    66    68    69    70    71    72  
   66    68    69  
   63    67    73    74    75  
   67    73  
   65  
    0  
   68    69    70    71    72  
   73    74    75    76    78  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    82    78    79    80    81  
   75    76    78  
   76    77    82    83    84    85    78    79    80    81  
   77    82    83    84    85    78    79    80    81  
   82    83    84    85    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   317.000  1.510
   45    66   275.000  1.510
   49    50   549.000  1.340
   49    51   317.000  1.510
   50    54   317.000  1.510
   50    57   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    47   268.000  1.529
   62    67   320.000  1.410
   47    48   340.000  1.090
   67    73   214.000  1.327
   73    74   570.000  1.229
   73    75   320.000  1.462
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   320.000  1.410
   64    65   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    60   275.000  1.510
   60    61   340.000  1.088
   60    66   260.000  1.509
   60    68   335.000  1.432
   66    68   335.000  1.432
   66    69   275.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    62    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    70.00000  112.02700
   43    45    66    70.00000  112.37300
   43    47    62    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    49    50    70.00000  124.00000
   45    49    51    65.00000  117.92700
   45    66    60    60.00000  120.94000
   45    66    68    80.00000  116.47100
   45    66    69    58.35000  112.70000
   49    45    46    35.00000  109.50000
   49    50    54    70.00000  124.00000
   49    50    57    70.00000  124.00000
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    60    70.00000  112.02700
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    62    70.00000  112.02700
   50    57    58    35.00000  109.50000
   50    57    59    35.00000  109.50000
   50    57    64    90.00000  110.39200
   54    62    63    37.50000  110.70000
   54    62    47    58.35000  112.70000
   54    62    67    50.00000  109.50000
   56    54    55    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   62    47    48    37.50000  110.70000
   62    67    73    83.00000  116.90000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    62    63    37.50000  110.70000
   67    62    63    35.00000  109.50000
   67    62    47    50.00000  109.50000
   67    73    74    83.00000  123.40000
   67    73    75    90.00000  111.29400
   73    75    76    65.00000  118.96000
   73    75    78    65.00000  116.34900
   75    73    74    80.00000  123.72100
   75    76    77    35.00000  120.00000
   75    76    82    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    84    35.00000  109.50000
   76    82    85    35.00000  109.50000
   82    76    77    35.00000  117.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   78    75    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   57    50    54    65.00000  117.92700
   57    64    65    55.00000  108.50000
   59    57    58    33.00000  107.80000
   64    57    58    35.00000  109.50000
   64    57    59    35.00000  109.50000
   51    49    50    70.00000  124.00000
   51    60    61    40.00000  115.04500
   51    60    66    60.00000  120.94000
   51    60    68    80.00000  116.47100
   53    51    52    33.00000  107.80000
   60    51    52    45.00000  109.38400
   60    51    53    45.00000  109.38400
   60    66    68    15.00000   60.43100
   60    66    69    60.00000  120.94000
   60    68    66    15.00000   59.14900
   66    45    46    45.00000  109.38400
   66    45    49    70.00000  112.02700
   66    60    61    37.50000  117.20000
   66    69    70    45.00000  109.38400
   66    69    71    45.00000  109.38400
   66    69    72    45.00000  109.38400
   68    60    61    50.00000  114.27700
   68    60    66    15.00000   60.43100
   69    66    68    80.00000  116.47100
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    62   0.46850  1.0 1.0
   33    39    47    62   0.08550 -1.0 2.0
   33    39    47    62   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    62   0.09850  1.0 1.0
   40    39    47    62   0.15250 -1.0 2.0
   40    39    47    62  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.61850  1.0 1.0
   42    43    45    49  -0.22750 -1.0 2.0
   42    43    45    49   0.15300  1.0 3.0
   42    43    45    66  -0.26800  1.0 1.0
   42    43    45    66   0.69150 -1.0 2.0
   42    43    45    66  -0.48750  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    62   0.62750  1.0 1.0
   42    43    47    62  -0.30950 -1.0 2.0
   42    43    47    62   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   0.09850  1.0 1.0
   43    45    49    50   0.15250 -1.0 2.0
   43    45    49    50  -0.50650  1.0 3.0
   43    45    49    51   0.46850  1.0 1.0
   43    45    49    51   0.08550 -1.0 2.0
   43    45    49    51   0.09800  1.0 3.0
   43    45    66    60   0.07850  1.0 1.0
   43    45    66    60  -0.03950 -1.0 2.0
   43    45    66    60   0.67350  1.0 3.0
   43    45    66    68   0.02550  1.0 1.0
   43    45    66    68  -0.02600 -1.0 2.0
   43    45    66    68   1.20400  1.0 3.0
   43    45    66    69   0.56750  1.0 1.0
   43    45    66    69  -0.07550 -1.0 2.0
   43    45    66    69   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    66   0.15000  1.0 3.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    62   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.34400  1.0 1.0
   45    43    47    39   0.09450 -1.0 2.0
   45    43    47    39   0.11100  1.0 3.0
   45    43    47    62   0.56750  1.0 1.0
   45    43    47    62  -0.07550 -1.0 2.0
   45    43    47    62   0.20000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    54   7.00000 -1.0 2.0
   45    49    50    57   7.00000 -1.0 2.0
   45    49    51    52   0.34800  1.0 3.0
   45    49    51    53   0.34800  1.0 3.0
   45    49   -51    60   0.46850  1.0 1.0
   45    49   -51    60   0.08550 -1.0 2.0
   45    49   -51    60   0.09800  1.0 3.0
   45    66   -68    60   0.06250  1.0 1.0
   45    66   -68    60  -0.01100 -1.0 2.0
   45    66   -68    60   0.28050  1.0 3.0
   45    66    69    70   0.15000  1.0 3.0
   45    66    69    71   0.15000  1.0 3.0
   45    66    69    72   0.15000  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51   0.34800  1.0 3.0
   46    45    66    60   0.15000  1.0 3.0
   46    45    66    68   0.23400  1.0 3.0
   46    45    66    69   0.15000  1.0 3.0
   49    45   -66    60   0.34400  1.0 1.0
   49    45   -66    60   0.09450 -1.0 2.0
   49    45   -66    60   0.11100  1.0 3.0
   49    45    66    68   0.61850  1.0 1.0
   49    45    66    68  -0.22750 -1.0 2.0
   49    45    66    68   0.15300  1.0 3.0
   49    45    66    69   0.34400  1.0 1.0
   49    45    66    69   0.09450 -1.0 2.0
   49    45    66    69   0.11100  1.0 3.0
   49    50    54    55   0.00000  1.0 1.0
   49    50    54    56   0.00000  1.0 1.0
   49    50    54    62   0.09850  1.0 1.0
   49    50    54    62   0.15250 -1.0 2.0
   49    50    54    62  -0.50650  1.0 3.0
   49    50    57    58   0.00000  1.0 1.0
   49    50    57    59   0.00000  1.0 1.0
   49    50    57    64   0.67800  1.0 1.0
   49    50    57    64   0.47050 -1.0 2.0
   49    50    57    64  -0.62500  1.0 3.0
   49    51    60    61   0.15000  1.0 3.0
   49    51   -60    66   0.34400  1.0 1.0
   49    51   -60    66   0.09450 -1.0 2.0
   49    51   -60    66   0.11100  1.0 3.0
   49    51   -60    68   0.61850  1.0 1.0
   49    51   -60    68  -0.22750 -1.0 2.0
   49    51   -60    68   0.15300  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    60   0.09850  1.0 1.0
   50    49    51    60   0.15250 -1.0 2.0
   50    49    51    60  -0.50650  1.0 3.0
   50    54    62    63   0.15000  1.0 3.0
   50    54    62    47   0.34400  1.0 1.0
   50    54    62    47   0.09450 -1.0 2.0
   50    54    62    47   0.11100  1.0 3.0
   50    54    62    67   0.61850  1.0 1.0
   50    54    62    67  -0.22750 -1.0 2.0
   50    54    62    67   0.15300  1.0 3.0
   50    57    64    65  -0.07800  1.0 1.0
   50    57    64    65  -0.21500 -1.0 2.0
   50    57    64    65  -0.03150  1.0 3.0
   54    50    57    58   0.34800  1.0 3.0
   54    50    57    59   0.34800  1.0 3.0
   54    50    57    64   0.18000  1.0 1.0
   54    50    57    64   0.16450 -1.0 2.0
   54    50    57    64   0.04450  1.0 3.0
   54    62    47    39   0.34400  1.0 1.0
   54    62    47    39   0.09450 -1.0 2.0
   54    62    47    39   0.11100  1.0 3.0
   54    62    47    43   0.56750  1.0 1.0
   54    62    47    43  -0.07550 -1.0 2.0
   54    62    47    43   0.20000  1.0 3.0
   54    62    47    48   0.15000  1.0 3.0
   54    62    67    73  -0.25900  1.0 1.0
   54    62    67    73  -0.47000 -1.0 2.0
   54    62    67    73   0.11750  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    47   0.15000  1.0 3.0
   55    54    62    67   0.23400  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    47   0.15000  1.0 3.0
   56    54    62    67   0.23400  1.0 3.0
   62    67    73    74   3.00000 -1.0 2.0
   62    67    73    75   2.00000 -1.0 2.0
   63    62    47    39   0.15000  1.0 3.0
   63    62    47    43   0.15000  1.0 3.0
   63    62    47    48   0.15000  1.0 3.0
   63    62    67    73   0.08050  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.34400  1.0 1.0
   47    43    45    49   0.09450 -1.0 2.0
   47    43    45    49   0.11100  1.0 3.0
   47    43    45    66   0.47050  1.0 1.0
   47    43    45    66   0.03900 -1.0 2.0
   47    43    45    66   0.20100  1.0 3.0
   47    62    67    73  -0.25900  1.0 1.0
   47    62    67    73  -0.47000 -1.0 2.0
   47    62    67    73   0.11750  1.0 3.0
   67    62    47    39   0.61850  1.0 1.0
   67    62    47    39  -0.22750 -1.0 2.0
   67    62    47    39   0.15300  1.0 3.0
   67    62    47    43   0.62750  1.0 1.0
   67    62    47    43  -0.30950 -1.0 2.0
   67    62    47    43   0.27300  1.0 3.0
   67    62    47    48   0.23400  1.0 3.0
   67    73    75    76  -0.56150  1.0 1.0
   67    73    75    76   2.19150 -1.0 2.0
   67    73    75    78  -0.15000  1.0 1.0
   67    73    75    78   0.89550 -1.0 2.0
   67    73    75    78  -0.06900  1.0 3.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    82   7.00000 -1.0 2.0
   73    75    78    79   0.15000  1.0 3.0
   73    75    78    80   0.15000  1.0 3.0
   73    75    78    81   0.15000  1.0 3.0
   74    73    75    76   1.00000 -1.0 2.0
   74    73    75    78  -0.64400  1.0 1.0
   74    73    75    78   0.26850 -1.0 2.0
   75    76    82    83   0.00000  1.0 1.0
   75    76    82    84   0.00000  1.0 1.0
   75    76    82    85   0.00000  1.0 1.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    81   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    84   0.33100  1.0 3.0
   77    76    82    85   0.33100  1.0 3.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    82   7.00000 -1.0 2.0
   57    50    54    55   0.34800  1.0 3.0
   57    50    54    56   0.34800  1.0 3.0
   57    50    54    62   0.46850  1.0 1.0
   57    50    54    62   0.08550 -1.0 2.0
   57    50    54    62   0.09800  1.0 3.0
   58    57    64    65   0.19450  1.0 3.0
   59    57    64    65   0.19450  1.0 3.0
   51    49    50    54   7.00000 -1.0 2.0
   51    49    50    57   7.00000 -1.0 2.0
   51    60   -66    45   0.56750  1.0 1.0
   51    60   -66    45  -0.07550 -1.0 2.0
   51    60   -66    45   0.20000  1.0 3.0
   51    60   -66    68   0.02550  1.0 1.0
   51    60   -66    68  -0.02600 -1.0 2.0
   51    60   -66    68   1.20400  1.0 3.0
   51    60    66    69   0.56750  1.0 1.0
   51    60    66    69  -0.07550 -1.0 2.0
   51    60    66    69   0.20000  1.0 3.0
   51    60   -68    66   0.06250  1.0 1.0
   51    60   -68    66  -0.01100 -1.0 2.0
   51    60   -68    66   0.28050  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    66   0.15000  1.0 3.0
   52    51    60    68   0.23400  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    66   0.15000  1.0 3.0
   53    51    60    68   0.23400  1.0 3.0
   60    66    69    70   0.15000  1.0 3.0
   60    66    69    71   0.15000  1.0 3.0
   60    66    69    72   0.15000  1.0 3.0
   61    60    66    45   0.15000  1.0 3.0
   61    60   -66    68   0.23400  1.0 3.0
   61    60    66    69   0.15000  1.0 3.0
   61    60   -68    66   0.36800  1.0 3.0
   66    45    49    50   0.09850  1.0 1.0
   66    45    49    50   0.15250 -1.0 2.0
   66    45    49    50  -0.50650  1.0 3.0
   66    45   -49    51   0.46850  1.0 1.0
   66    45   -49    51   0.08550 -1.0 2.0
   66    45   -49    51   0.09800  1.0 3.0
   68    60   -66    45   0.02550  1.0 1.0
   68    60   -66    45  -0.02600 -1.0 2.0
   68    60   -66    45   1.20400  1.0 3.0
   68    60   -66    69   0.02550  1.0 1.0
   68    60   -66    69  -0.02600 -1.0 2.0
   68    60   -66    69   1.20400  1.0 3.0
   68    66    69    70   0.23400  1.0 3.0
   68    66    69    71   0.23400  1.0 3.0
   68    66    69    72   0.23400  1.0 3.0
   69    66   -68    60   0.06250  1.0 1.0
   69    66   -68    60  -0.01100 -1.0 2.0
   69    66   -68    60   0.28050  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
   37    30    36    38  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   45    51    49    50   1.10000 -1.0 2.0
   54    57    50    49   1.10000 -1.0 2.0
   67    75    73    74  10.50000 -1.0 2.0
   73    78    75    76  15.00000 -1.0 2.0
   82    77    76    75  15.00000 -1.0 2.0
END
