* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    163    259     484
    1     0 S   NP   _N1_     1    28.84212    95.89342   -19.95272
    2     1 S   H    _HN1     2     1.02790    81.17442   -96.77982
    3     1 S   H    _H1_     3     1.02956    84.90065    12.65298
    4     1 S   H    _H2_     4     1.02847    42.74720   134.61867
    5     1 S   CT   _CA1     5     1.50063   153.43255   140.15006
    6     5 S   HC   _HA1     6     1.09545   105.36839    55.24867
    7     5 S   CO3  _C1_     7     1.53844   112.45957   -65.50190
    8     7 S   O2Z  _O11     8     1.26380   115.05609   -41.61743
    9     7 S   O2Z  _O12     9     1.26216   115.14524   138.07246
   10     5 S   CT   _CB1    10     1.53121   107.54178   173.72996
   11    10 S   HC   HB11    11     1.09816   109.91711   -46.51950
   12    10 S   HC   HB12    12     1.09834   110.13288    70.16245
   13    10 S   CT   _CG1    13     1.53030   112.49495  -167.41268
   14    13 S   HC   HG11    14     1.09576   110.58598   -55.84030
   15    13 S   HC   HG12    15     1.09622   110.02922    63.41963
   16    13 S   C    _CD1    16     1.51711   112.24236  -175.71289
   17    16 S   O    _OE1    17     1.22708   123.24508    -2.34017
   18    16 S   N    _N2_    18     1.38630   111.57472   176.62200
   19    18 S   H    _HN2    19     1.01581   119.14902     4.28016
   20    18 S   CT1  _CA2    20     1.46214   123.21519  -174.58297
   21    20 S   HC   _HA2    21     1.09725   109.38468   -10.68826
   22    20 S   C    _C2_    22     1.53314   108.67636  -126.70580
   23    22 S   O    _O2_    23     1.23013   122.16487  -145.86155
   24    20 S   CT   _CB2    32     1.53478   111.10043   110.99058
   25    24 S   HC   HB21    33     1.09551   109.72277    59.86938
   26    24 S   HC   HB22    34     1.09521   110.52762   178.07319
   27    22 S   N    _N3_    24     1.38482   113.38511    41.45193
   28    27 S   H    _HN3    25     1.01524   118.93147    -0.50668
   29    24 S   S    _SG2    35     1.83083   111.48160   -62.53661
   30    27 S   CT   _CA3    26     1.45458   123.46211   175.10643
   31    30 S   HC   HA31    27     1.09521   109.26462    23.76218
   32    30 S   HC   HA32    28     1.09496   107.11213   140.77839
   33    29 S   CT   _C11    36     1.83906   100.40520   136.18334
   34    33 S   HC   _H5_    37     1.09776   105.92738   -39.99703
   35    30 S   CO3  _C3_    29     1.52929   113.10782   -99.73049
   36    35 S   O2Z  _O31    30     1.26402   115.40455   -44.14746
   37    35 S   O2Z  _O32    31     1.26355   114.98014   136.78052
   38    33 S   CT   _C10    38     1.54160   107.88012    76.08962
   39    38 S   HC   _H4_    39     1.09650   111.56445   -40.78298
   40    38 S   CO4  _C9_    40     1.52081   108.52914    80.27404
   41    40 S   O    _O33    41     1.22916   122.03581  -124.97205
   42    38 S   OS   _O36    80     1.42736   108.31302  -160.59736
   43    40 S   CT   _C8_    42     1.50942   115.77321    56.74445
   44    43 S   HC   _H15    43     1.09915   105.83985    60.02292
   45    43 S   HC   _H16    44     1.08994   109.75341   171.59034
   46    42 S   CT   _C22    81     1.42243   113.01629   163.59576
   47    46 S   HC   _H25    82     1.09333   108.19082  -179.80416
   48    46 S   HC   _H26    83     1.09377   110.93552    61.35694
   49    46 S   HC   _H27    84     1.09418   110.48305   -61.18761
   50    43 S   CT   _C7_    45     1.55220   112.05891   -59.84934
   51    50 S   CA   _C16    46     1.54453   117.32067   -72.17906
   52    50 S   CT   _C6_    73     1.56309   106.62032   168.14283
   53    52 S   HC   _H13    74     1.09781   110.44888    69.22770
   54    52 S   HC   _H14    75     1.09910   109.13849   -46.69371
   55    51 S   CA   _C15    47     1.41791   119.27378   152.25572
   56    55 S   CA   _C20    48     1.40781   120.56753   179.70591
   57    56 S   HA   _H20    49     1.08859   119.91321   178.69209
   58    55 S   CT   _C14    61     1.51376   123.27037    -1.09468
   59    58 S   HC   _H17    62     1.09471   108.43735   126.31522
   60    58 S   HC   _H18    63     1.09614   107.77217  -120.41943
   61    56 S   CA   _C19    50     1.39045   121.31840    -1.26455
   62    61 S   HA   _H19    51     1.08484   118.11898   179.89347
   63    58 S   CT   _C13    64     1.52936   115.48584     0.61485
   64    63 S   HC   _H7_    65     1.09641   110.36550  -154.34693
   65    61 S   CA   _C18    52     1.38871   119.48800    -1.06441
   66    33 S   CT   _C12    66     1.57308   118.01741  -157.01361
   67    66 S   HC   _H6_    67     1.10330   102.76616   172.34524
   68    63 S   NP   _N4_    68     1.54187   110.73070    89.89777
   69    68 S   H    _H3_    69     1.02905   105.45760  -177.43799
   70    51 S   CA   _C17    53     1.41086   124.10521   -31.86901
   71    65 S   OS   _O34    56     1.37280   125.15322  -178.37574
   72    68 S   CT   _C5_    70     1.50808   114.11241   -61.56927
   73    72 S   HC   _H11    71     1.09570   107.17110  -173.36576
   74    72 S   HC   _H12    72     1.09404   108.45717    69.97775
   75    68 S   CT   _C4_    76     1.50696   114.12020    69.12821
   76    75 S   HC   _H8_    77     1.09117   109.32320   -74.54411
   77    75 S   HC   _H9_    78     1.09203   108.23930    47.37293
   78    75 S   HC   _H10    79     1.09355   107.56268   165.84252
   79    70 S   OH   _O35    54     1.37108   120.22020    -1.75379
   80    79 S   HO   _H24    55     0.97397   107.86996   179.00870
   81    71 S   CT   _C21    57     1.42287   117.02028    -1.64354
   82    81 S   HC   _H21    58     1.09427   107.72975  -179.19424
   83    81 S   HC   _H22    59     1.09494   111.10568    63.09376
   84    81 S   HC   _H23    60     1.09499   111.15978   -61.44555
  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
  17   8   2   1   1  15   6  10   5   6  13   5   4   3   2   1
   1  18  19  13   6   5  14  10   4  12   5   4   6   3  12   6
   8   6   1   8   7   4   5   6   2   1   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    66    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    63    66    67    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    58    63    64    66    67    68    52    42    46  
   38    39    40    50    63    66    67    42  
   36    37  
   37  
    0  
   39    40    41    43    44    45    50    63    66    67    42    46    47    48    49  
   40    41    43    66    42    46  
   41    43    44    45    50    51    66    52    42    46  
   43    44    45    50    42  
   46    47    48    49    43    66  
   44    45    50    51    55    70    63    66    67    72    52    53    54  
   45    50    51    66    52  
   50    51    66    52  
   47    48    49  
   48    49  
   49  
    0  
   51    55    56    65    70    79    58    63    64    66    67    68    72    73    74    52    53    54  
   55    56    57    61    65    70    79    80    71    58    59    60    63    66    67    72    52    53    54  
   53    54    75    55    63    66    67    68    69    70    72    73    74  
   54    66    68    72    73    74  
   66    68    72    73    74  
   56    57    61    62    65    70    79    58    59    60    63    64    66    68  
   57    61    62    65    70    71    58    59    60    63  
   61    62    65    58  
   59    60    63    64    66    67    68    69    72    75    61    70  
   60    63    64    66    68  
   63    64    66    68  
   62    65    70    79    71    81  
   65    70    71  
   64    66    67    68    69    72    73    74    75    76    77    78  
   66    67    68    69    72    75  
   70    79    80    71    81    82    83    84  
   67    68    69    72    75    70  
   68  
   69    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   79    80    71    81  
   81    82    83    84    79  
   73    74    75    76    77    78  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80  
    0  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   69   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    66   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   317.000  1.510
   50    66   268.000  1.529
   50    52   268.000  1.529
   51    55   469.000  1.400
   51    70   469.000  1.400
   55    56   469.000  1.400
   55    58   317.000  1.510
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    70   469.000  1.400
   65    71   450.000  1.364
   70    79   450.000  1.364
   79    80   553.000  0.945
   71    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    68   367.000  1.471
   66    67   340.000  1.090
   68    69   434.000  1.010
   68    72   367.000  1.471
   68    75   367.000  1.471
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   42    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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    66    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    66    50    58.35000  112.70000
   33    66    63    58.35000  112.70000
   33    66    67    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    46    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    50    51    70.00000  112.17500
   43    50    66    58.35000  112.70000
   43    50    52    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    51    55    70.00000  120.00000
   50    51    70    70.00000  120.00000
   50    66    63    58.35000  112.70000
   50    66    67    37.50000  110.70000
   50    52    72    58.35000  112.70000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   51    55    56    63.00000  120.00000
   51    55    58    70.00000  120.00000
   51    70    65    63.00000  120.00000
   51    70    79    70.00000  120.00000
   55    56    57    35.00000  120.00000
   55    56    61    63.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    70.00000  112.17500
   56    61    62    35.00000  120.00000
   56    61    65    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    65    70    63.00000  120.00000
   61    65    71    70.00000  120.00000
   65    61    62    35.00000  120.00000
   65    70    79    70.00000  120.00000
   65    71    81    75.00000  111.00000
   70    51    55    63.00000  120.00000
   70    79    80    35.00000  113.00000
   71    65    70    70.00000  120.00000
   71    81    82    35.00000  109.50000
   71    81    83    35.00000  109.50000
   71    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   58    55    56    70.00000  120.00000
   58    63    64    37.50000  110.70000
   58    63    66    58.35000  112.70000
   58    63    68    80.00000  111.20000
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    68    69    35.00000  109.50000
   63    68    72    75.00000  113.01200
   63    68    75    75.00000  113.01200
   66    33    34    37.50000  110.70000
   66    33    38    58.35000  112.70000
   66    50    51    70.00000  112.17500
   66    63    64    37.50000  110.70000
   68    63    64    35.00000  109.50000
   68    63    66    80.00000  111.20000
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    52    80.00000  111.20000
   68    75    76    35.00000  109.50000
   68    75    77    35.00000  109.50000
   68    75    78    35.00000  109.50000
   72    68    69    35.00000  109.50000
   72    52    53    37.50000  110.70000
   72    52    54    37.50000  110.70000
   74    72    73    33.00000  107.80000
   52    50    51    70.00000  112.17500
   52    50    66    58.35000  112.70000
   52    72    73    37.50000  110.70000
   52    72    74    37.50000  110.70000
   54    52    53    33.00000  107.80000
   75    68    69    35.00000  109.50000
   75    68    72    75.00000  113.01200
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    66    50   0.44750  1.0 1.0
   29    33    66    50  -0.17800 -1.0 2.0
   29    33    66    50   0.20200  1.0 3.0
   29    33    66    63   0.44750  1.0 1.0
   29    33    66    63  -0.17800 -1.0 2.0
   29    33    66    63   0.20200  1.0 3.0
   29    33    66    67   0.15000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.60050  1.0 1.0
   33    38    40    43   0.05600 -1.0 2.0
   33    38    40    43   0.26150  1.0 3.0
   33    38    42    46   0.06250  1.0 1.0
   33    38    42    46  -0.01100 -1.0 2.0
   33    38    42    46   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    66    50   0.15000  1.0 3.0
   34    33    66    63   0.15000  1.0 3.0
   34    33    66    67   0.15000  1.0 3.0
   38    33    66    50   0.56750  1.0 1.0
   38    33    66    50  -0.07550 -1.0 2.0
   38    33    66    50   0.20000  1.0 3.0
   38    33    66    63   0.56750  1.0 1.0
   38    33    66    63  -0.07550 -1.0 2.0
   38    33    66    63   0.20000  1.0 3.0
   38    33    66    67   0.15000  1.0 3.0
   38    40    43    44   0.00000  1.0 1.0
   38    40    43    45   0.00000  1.0 1.0
   38    40   -43    50   0.60050  1.0 1.0
   38    40   -43    50   0.05600 -1.0 2.0
   38    40   -43    50   0.26150  1.0 3.0
   38    42    46    47   0.37050  1.0 3.0
   38    42    46    48   0.37050  1.0 3.0
   38    42    46    49   0.37050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    42    46   0.37050  1.0 3.0
   40    38    42    46  -1.11000  1.0 1.0
   40    38    42    46   0.50250 -1.0 2.0
   40    38    42    46   0.47450  1.0 3.0
   40    43    50    51   0.56750  1.0 1.0
   40    43    50    51  -0.07550 -1.0 2.0
   40    43    50    51   0.20000  1.0 3.0
   40    43    50    66  -0.95700  1.0 1.0
   40    43    50    66  -0.18200 -1.0 2.0
   40    43    50    66   0.29450  1.0 3.0
   40    43    50    52  -0.95700  1.0 1.0
   40    43    50    52  -0.18200 -1.0 2.0
   40    43    50    52   0.29450  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    45   0.00000  1.0 1.0
   41    40    43    50   0.30150 -1.0 2.0
   43    50    51    55   0.04150 -1.0 2.0
   43    50    51    70   0.04150 -1.0 2.0
   43    50   -66    33   0.56750  1.0 1.0
   43    50   -66    33  -0.07550 -1.0 2.0
   43    50   -66    33   0.20000  1.0 3.0
   43    50    66    63   0.56750  1.0 1.0
   43    50    66    63  -0.07550 -1.0 2.0
   43    50    66    63   0.20000  1.0 3.0
   43    50    66    67   0.15000  1.0 3.0
   43    50    52    72   0.56750  1.0 1.0
   43    50    52    72  -0.07550 -1.0 2.0
   43    50    52    72   0.20000  1.0 3.0
   43    50    52    53   0.15000  1.0 3.0
   43    50    52    54   0.15000  1.0 3.0
   44    43    50    51   0.43200  1.0 3.0
   44    43    50    66   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   45    43    50    51   0.43200  1.0 3.0
   45    43    50    66   0.15000  1.0 3.0
   45    43    50    52   0.15000  1.0 3.0
   50    51    55    56   3.62500 -1.0 2.0
   50    51    55    58   3.62500 -1.0 2.0
   50    51    70    65   3.62500 -1.0 2.0
   50    51    70    79   3.62500 -1.0 2.0
   51    50    66    33  -0.03700  1.0 1.0
   51    50    66    33   0.37200 -1.0 2.0
   51    50    66    33  -0.47300  1.0 3.0
   51    50    66    63  -0.03700  1.0 1.0
   51    50    66    63   0.37200 -1.0 2.0
   51    50    66    63  -0.47300  1.0 3.0
   51    50    66    67   0.43200  1.0 3.0
   51    50    52    72  -0.03700  1.0 1.0
   51    50    52    72   0.37200 -1.0 2.0
   51    50    52    72  -0.47300  1.0 3.0
   51    50    52    53   0.43200  1.0 3.0
   51    50    52    54   0.43200  1.0 3.0
   51    55    56    57   3.62500 -1.0 2.0
   51    55    56    61   3.62500 -1.0 2.0
   51    55    58    59   0.00000  1.0 1.0
   51    55    58    60   0.00000  1.0 1.0
   51    55   -58    63   0.04150 -1.0 2.0
   51    70    79    80   0.84100 -1.0 2.0
   55    51    70    65   3.62500 -1.0 2.0
   55    51    70    79   3.62500 -1.0 2.0
   55    56    61    62   3.62500 -1.0 2.0
   55    56   -61    65   3.62500 -1.0 2.0
   55    58    63    64   0.43200  1.0 3.0
   55    58    63    66  -0.03700  1.0 1.0
   55    58    63    66   0.37200 -1.0 2.0
   55    58    63    66  -0.47300  1.0 3.0
   55    58    63    68   1.24050  1.0 1.0
   55    58    63    68   0.48100 -1.0 2.0
   55    58    63    68   1.08150  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   56    55    58    63   0.04150 -1.0 2.0
   56    61    65    70   3.62500 -1.0 2.0
   56    61    65    71   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    65   3.62500 -1.0 2.0
   61    65   -70    51   3.62500 -1.0 2.0
   61    65    70    79   3.62500 -1.0 2.0
   61    65    71    81   1.63200 -1.0 2.0
   62    61    65    70   3.62500 -1.0 2.0
   62    61    65    71   3.62500 -1.0 2.0
   65    70    79    80   0.84100 -1.0 2.0
   65    71    81    82   0.08050  1.0 3.0
   65    71    81    83   0.08050  1.0 3.0
   65    71    81    84   0.08050  1.0 3.0
   70    51   -55    56   3.62500 -1.0 2.0
   70    51    55    58   3.62500 -1.0 2.0
   70    65    71    81   1.63200 -1.0 2.0
   71    65    70    51   3.62500 -1.0 2.0
   71    65    70    79   3.62500 -1.0 2.0
   58    55    56    57   3.62500 -1.0 2.0
   58    55    56    61   3.62500 -1.0 2.0
   58    63    66    33   0.56750  1.0 1.0
   58    63    66    33  -0.07550 -1.0 2.0
   58    63    66    33   0.20000  1.0 3.0
   58    63   -66    50   0.56750  1.0 1.0
   58    63   -66    50  -0.07550 -1.0 2.0
   58    63   -66    50   0.20000  1.0 3.0
   58    63    66    67   0.15000  1.0 3.0
   58    63    68    69   0.17350  1.0 3.0
   58    63    68    72   0.47100  1.0 1.0
   58    63    68    75   0.47100  1.0 1.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   59    58    63    68   0.19200  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    66   0.15000  1.0 3.0
   60    58    63    68   0.19200  1.0 3.0
   63    68    72    73   0.15000  1.0 3.0
   63    68    72    74   0.15000  1.0 3.0
   63    68    72    52   0.47100  1.0 1.0
   63    68    75    76   0.15000  1.0 3.0
   63    68    75    77   0.15000  1.0 3.0
   63    68    75    78   0.15000  1.0 3.0
   64    63    66    33   0.15000  1.0 3.0
   64    63    66    50   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    68    69   0.13050  1.0 3.0
   64    63    68    72   0.15000  1.0 3.0
   64    63    68    75   0.15000  1.0 3.0
   66    33    38    39   0.15000  1.0 3.0
   66    33   -38    40  -0.95700  1.0 1.0
   66    33   -38    40  -0.18200 -1.0 2.0
   66    33   -38    40   0.29450  1.0 3.0
   66    33    38    42   0.62750  1.0 1.0
   66    33    38    42  -0.30950 -1.0 2.0
   66    33    38    42   0.27300  1.0 3.0
   66    50   -51    55   0.04150 -1.0 2.0
   66    50    51    70   0.04150 -1.0 2.0
   66    50    52    72   0.56750  1.0 1.0
   66    50    52    72  -0.07550 -1.0 2.0
   66    50    52    72   0.20000  1.0 3.0
   66    50    52    53   0.15000  1.0 3.0
   66    50    52    54   0.15000  1.0 3.0
   66    63    68    69   0.17350  1.0 3.0
   66    63   -68    72   0.47100  1.0 1.0
   66    63    68    75   0.47100  1.0 1.0
   68    63    66    33   1.36600  1.0 1.0
   68    63    66    33  -0.11450 -1.0 2.0
   68    63    66    33   0.24250  1.0 3.0
   68    63    66    50   1.36600  1.0 1.0
   68    63    66    50  -0.11450 -1.0 2.0
   68    63    66    50   0.24250  1.0 3.0
   68    63    66    67   0.19200  1.0 3.0
   68    72   -52    50   1.36600  1.0 1.0
   68    72   -52    50  -0.11450 -1.0 2.0
   68    72   -52    50   0.24250  1.0 3.0
   68    72    52    53   0.19200  1.0 3.0
   68    72    52    54   0.19200  1.0 3.0
   69    68    72    73   0.13050  1.0 3.0
   69    68    72    74   0.13050  1.0 3.0
   69    68    72    52   0.17350  1.0 3.0
   69    68    75    76   0.13050  1.0 3.0
   69    68    75    77   0.13050  1.0 3.0
   69    68    75    78   0.13050  1.0 3.0
   72    68    75    76   0.15000  1.0 3.0
   72    68    75    77   0.15000  1.0 3.0
   72    68    75    78   0.15000  1.0 3.0
   73    72    52    50   0.15000  1.0 3.0
   73    72    52    53   0.15000  1.0 3.0
   73    72    52    54   0.15000  1.0 3.0
   74    72    52    50   0.15000  1.0 3.0
   74    72    52    53   0.15000  1.0 3.0
   74    72    52    54   0.15000  1.0 3.0
   52    50    51    55   0.04150 -1.0 2.0
   52    50    51    70   0.04150 -1.0 2.0
   52    50    66    33   0.56750  1.0 1.0
   52    50    66    33  -0.07550 -1.0 2.0
   52    50    66    33   0.20000  1.0 3.0
   52    50   -66    63   0.56750  1.0 1.0
   52    50   -66    63  -0.07550 -1.0 2.0
   52    50   -66    63   0.20000  1.0 3.0
   52    50    66    67   0.15000  1.0 3.0
   75    68    72    73   0.15000  1.0 3.0
   75    68    72    74   0.15000  1.0 3.0
   75    68    72    52   0.47100  1.0 1.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    40    41  10.50000 -1.0 2.0
   55    70    51    50   4.00000 -1.0 2.0
   56    58    55    51   4.00000 -1.0 2.0
   61    57    56    55   1.10000 -1.0 2.0
   65    62    61    56   1.10000 -1.0 2.0
   70    71    65    61   4.00000 -1.0 2.0
   65    79    70    51   4.00000 -1.0 2.0
END
