* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    154    246     456
    1     0 S   NP   _N1_     1    28.70235    96.28918   -22.43262
    2     1 S   H    _HN1     2     1.02953    75.09732    23.36397
    3     1 S   H    _H1_     3     1.02830    39.20736   167.17562
    4     1 S   H    _H2_     4     1.02782    97.55430   -83.69659
    5     1 S   CT   _CA1     5     1.50111   144.96486   127.75654
    6     5 S   HC   _HA1     6     1.09573   105.21527    84.63593
    7     5 S   CO3  _C1_     7     1.53801   112.41779   -35.60498
    8     7 S   O2Z  _O11     8     1.26370   115.01031   -43.37748
    9     7 S   O2Z  _O12     9     1.26241   114.94366   135.77566
   10     5 S   CT   _CB1    10     1.53086   107.42003  -157.39938
   11    10 S   HC   HB11    11     1.09828   109.39538   -50.01658
   12    10 S   HC   HB12    12     1.09815   110.43104    66.59049
   13    10 S   CT   _CG1    13     1.52978   112.59417  -171.02900
   14    13 S   HC   HG11    14     1.09590   110.55063   -64.42857
   15    13 S   HC   HG12    15     1.09666   109.86821    54.79329
   16    13 S   C    _CD1    16     1.51799   112.30958   175.22459
   17    16 S   O    _OE1    17     1.22726   123.32492     3.06695
   18    16 S   N    _N2_    18     1.38649   111.60412  -177.02454
   19    18 S   H    _HN2    19     1.01588   118.93923     1.79144
   20    18 S   CT1  _CA2    20     1.46180   123.38769   178.41971
   21    20 S   HC   _HA2    21     1.09738   109.38143    -2.34368
   22    20 S   C    _C2_    22     1.53477   108.50757  -117.80640
   23    22 S   O    _O2_    23     1.23045   122.30600  -147.89969
   24    20 S   CT   _CB2    32     1.53388   111.58060   119.67316
   25    24 S   HC   HB21    33     1.09577   109.98357    55.87305
   26    24 S   HC   HB22    34     1.09402   109.98415   174.90215
   27    22 S   N    _N3_    24     1.38340   113.59937    39.56941
   28    27 S   H    _HN3    25     1.01614   119.54477    -3.52975
   29    24 S   S    _SG2    35     1.82854   111.42542   -65.01802
   30    27 S   CT   _CA3    26     1.45288   123.16636   177.01279
   31    30 S   HC   HA31    27     1.09551   107.52228   -64.04704
   32    30 S   HC   HA32    28     1.09557   107.95992    52.37361
   33    29 S   CT   _C19    36     1.84570   100.10147   172.61839
   34    33 S   HC   _H5_    37     1.09700   104.61696   -42.10232
   35    30 S   CO3  _C3_    29     1.52946   114.11031   174.35715
   36    35 S   O2Z  _O31    30     1.26370   116.06150    -0.81901
   37    35 S   O2Z  _O32    31     1.26428   114.41251   179.24127
   38    33 S   CT   _C18    38     1.53186   111.17704    75.09182
   39    38 S   HC   _H23    39     1.09510   111.74227   -48.63667
   40    38 S   HC   _H24    40     1.09831   108.52867  -164.79031
   41    38 S   CT   _C17    41     1.52526   112.21266    75.11777
   42    41 S   HC   _H21    42     1.09686   109.33410   179.41583
   43    41 S   HC   _H22    43     1.09508   110.34198   -64.15310
   44    41 S   CT   _C16    44     1.52342   109.18299    59.71126
   45    44 S   HC   _H4_    45     1.09939   108.22115    70.56871
   46    44 S   CT   _C12    46     1.53967   115.99538   -57.27481
   47    44 S   NP   _N4_    58     1.51503   110.70110  -171.09373
   48    47 S   H    _H3_    59     1.02901   111.58201   -38.67329
   49    46 S   CA   _C8_    47     1.55985   106.67793   171.23411
   50    47 S   CT   _C14    60     1.52023   105.87436    81.35326
   51    50 S   HC   _H17    61     1.09458   107.00392   -94.39055
   52    50 S   HC   _H18    62     1.09408   109.53380   147.03106
   53    33 S   CT   _C20    76     1.55758   113.41236  -157.81270
   54    53 S   HC   _H6_    77     1.09933   105.25291   157.02215
   55    49 S   CA   _C9_    48     1.40400   122.96239  -148.13534
   56    55 S   HA   _H11    49     1.08266   119.30689     1.00503
   57    46 S   CT   _C13    63     1.54694   102.83849   -77.05949
   58    57 S   HC   _H15    64     1.09666   112.73720  -149.72880
   59    57 S   HC   _H16    65     1.09096   112.95445    90.04620
   60    53 S   OH   _O35    78     1.42922   109.95171    42.94435
   61    60 S   HO   _H25    79     0.97258   107.93239    45.39640
   62    55 S   CA   _C10    50     1.40346   121.34792  -178.71397
   63    62 S   CA   _C5_    51     1.40567   119.92182     0.28871
   64    62 S   OS   _O34    71     1.37465   124.46169  -179.78511
   65    63 S   CA   _C6_    52     1.39654   119.45786     0.27766
   66    65 S   HA   _H10    53     1.08635   121.25012   179.92867
   67    63 S   OS   _O33    66     1.37322   115.92201  -179.82306
   68    64 S   CT   _C11    72     1.42213   117.59547    -0.53229
   69    68 S   HC   _H12    73     1.09430   107.72678  -179.78602
   70    68 S   HC   _H13    74     1.09494   111.14145    62.53959
   71    68 S   HC   _H14    75     1.09494   111.15320   -62.10097
   72    49 S   CA   _C7_    54     1.41747   118.93723    34.25920
   73    67 S   CT   _C4_    67     1.42215   117.45124  -179.94766
   74    73 S   HC   _H7_    68     1.09428   107.74166  -179.97202
   75    73 S   HC   _H8_    69     1.09495   111.13673    62.31442
   76    73 S   HC   _H9_    70     1.09494   111.13997   -62.25667
   77    72 S   CT   _C15    55     1.51136   120.53803    -2.32229
   78    77 S   HC   _H19    56     1.09539   111.66722   128.45188
   79    77 S   HC   _H20    57     1.09609   109.92165  -110.55189
  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
  15   8   2   1   1  12   6   5  12   5   4  19   8  19  14   8
  18  10   5   4   8   3  10   4   5   1   1   1   1  11  11   6
   7   3   5   3   2   1   1   3   3   2   1   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    53    54    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    49    57    53    54    60    61  
   38    39    40    41    46    53    54    60  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    53    54    60  
   40    41    42    43    44    53  
   41    42    43    44    53  
   42    43    44    45    46    49    77    47    48    50    57    53  
   43    44    45    46    47  
   44    45    46    47  
   45    46    49    55    72    77    78    79    47    48    50    51    52    57    58    59    53    54    60  
   46    49    77    47    48    50    57    53  
   49    55    56    62    65    72    77    47    48    50    51    52    57    58    59    53    54    60    61  
   48    50    51    52    57    58    59    53    49    65    72    77    78    79  
   50    51    52    57    72    77    78    79  
   55    56    62    63    65    66    72    77    78    79    50    57    58    59    64    53    54    60  
   51    52    57    58    59    53    72    77    78    79  
   52    57    58    59    77  
   57    58    59    77  
   54    60    61    55    57    58    59    72  
   60    61    57  
   56    62    63    65    72    77    57    67    64    68  
   62    63    72    64  
   58    59    60    72    77  
   59  
    0  
   61  
    0  
   63    65    66    72    67    73    64    68    69    70    71  
   65    66    72    77    67    73    74    75    76    64    68  
   68    69    70    71    65    67  
   66    72    77    78    79    67    73  
   72    77    67  
   73    74    75    76    72  
   69    70    71  
   70    71  
   71  
    0  
   77    78    79  
   74    75    76  
   75    76  
   76  
    0  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   48   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   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    53   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    47   367.000  1.471
   46    49   317.000  1.510
   46    57   268.000  1.529
   46    53   268.000  1.529
   49    55   469.000  1.400
   49    72   469.000  1.400
   55    56   367.000  1.080
   55    62   469.000  1.400
   62    63   469.000  1.400
   62    64   450.000  1.364
   63    65   469.000  1.400
   63    67   450.000  1.364
   65    66   367.000  1.080
   65    72   469.000  1.400
   72    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    47   367.000  1.471
   47    48   434.000  1.010
   47    50   367.000  1.471
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   67    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   64    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   53    54   340.000  1.090
   53    60   320.000  1.410
   60    61   553.000  0.945
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    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    53    46    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    60    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    58.35000  112.70000
   41    44    47    80.00000  111.20000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    46    49    70.00000  112.17500
   44    46    57    58.35000  112.70000
   44    46    53    58.35000  112.70000
   44    47    77    75.00000  113.01200
   44    47    48    35.00000  109.50000
   44    47    50    75.00000  113.01200
   46    44    45    37.50000  110.70000
   46    49    55    70.00000  120.00000
   46    49    72    70.00000  120.00000
   46    57    50    58.35000  112.70000
   46    57    58    37.50000  110.70000
   46    57    59    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    60    50.00000  109.50000
   49    55    56    35.00000  120.00000
   49    55    62    63.00000  120.00000
   49    72    65    63.00000  120.00000
   49    72    77    70.00000  120.00000
   55    62    63    63.00000  120.00000
   55    62    64    70.00000  120.00000
   62    55    56    35.00000  120.00000
   62    63    65    63.00000  120.00000
   62    63    67    70.00000  120.00000
   62    64    68    75.00000  111.00000
   63    65    66    35.00000  120.00000
   63    65    72    63.00000  120.00000
   63    67    73    75.00000  111.00000
   65    72    77    70.00000  120.00000
   72    49    55    63.00000  120.00000
   72    65    66    35.00000  120.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    47    75.00000  110.83300
   77    47    48    35.00000  109.50000
   77    47    50    75.00000  113.01200
   79    77    78    33.00000  107.80000
   47    44    45    35.00000  109.50000
   47    44    46    80.00000  111.20000
   47    77    78    35.00000  109.50000
   47    77    79    35.00000  109.50000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    57    80.00000  111.20000
   50    47    48    35.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   52    50    51    33.00000  107.80000
   57    46    49    70.00000  112.17500
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   59    57    58    33.00000  107.80000
   67    63    65    70.00000  120.00000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   64    62    63    70.00000  120.00000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    46    49    70.00000  112.17500
   53    46    57    58.35000  112.70000
   53    60    61    55.00000  108.50000
   60    53    54    35.00000  109.50000
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    53    46   0.44750  1.0 1.0
   29    33    53    46  -0.17800 -1.0 2.0
   29    33    53    46   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    60   0.56750  1.0 1.0
   29    33    53    60  -0.07550 -1.0 2.0
   29    33    53    60   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    53    60    61  -0.11600  1.0 1.0
   33    53    60    61  -0.09450 -1.0 2.0
   33    53    60    61   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    53    46   0.15000  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    60   0.23400  1.0 3.0
   38    33    53    46   0.56750  1.0 1.0
   38    33    53    46  -0.07550 -1.0 2.0
   38    33    53    46   0.20000  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    60   0.86500  1.0 1.0
   38    33    53    60  -0.17500 -1.0 2.0
   38    33    53    60   0.20800  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41   -44    46   0.56750  1.0 1.0
   38    41   -44    46  -0.07550 -1.0 2.0
   38    41   -44    46   0.20000  1.0 3.0
   38    41    44    47   1.36600  1.0 1.0
   38    41    44    47  -0.11450 -1.0 2.0
   38    41    44    47   0.24250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    46    49  -0.03700  1.0 1.0
   41    44    46    49   0.37200 -1.0 2.0
   41    44    46    49  -0.47300  1.0 3.0
   41    44    46    57   0.56750  1.0 1.0
   41    44    46    57  -0.07550 -1.0 2.0
   41    44    46    57   0.20000  1.0 3.0
   41    44    46    53   0.56750  1.0 1.0
   41    44    46    53  -0.07550 -1.0 2.0
   41    44    46    53   0.20000  1.0 3.0
   41    44    47    77   0.47100  1.0 1.0
   41    44    47    48   0.17350  1.0 3.0
   41    44    47    50   0.47100  1.0 1.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.19200  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.15000  1.0 3.0
   43    41    44    47   0.19200  1.0 3.0
   44    46    49    55   0.04150 -1.0 2.0
   44    46    49    72   0.04150 -1.0 2.0
   44    46   -57    50   0.56750  1.0 1.0
   44    46   -57    50  -0.07550 -1.0 2.0
   44    46   -57    50   0.20000  1.0 3.0
   44    46    57    58   0.15000  1.0 3.0
   44    46    57    59   0.15000  1.0 3.0
   44    46   -53    33   0.56750  1.0 1.0
   44    46   -53    33  -0.07550 -1.0 2.0
   44    46   -53    33   0.20000  1.0 3.0
   44    46    53    54   0.15000  1.0 3.0
   44    46    53    60   0.86500  1.0 1.0
   44    46    53    60  -0.17500 -1.0 2.0
   44    46    53    60   0.20800  1.0 3.0
   44    47    50    51   0.15000  1.0 3.0
   44    47    50    52   0.15000  1.0 3.0
   44    47   -50    57   0.47100  1.0 1.0
   45    44    46    49   0.43200  1.0 3.0
   45    44    46    57   0.15000  1.0 3.0
   45    44    46    53   0.15000  1.0 3.0
   45    44    47    77   0.15000  1.0 3.0
   45    44    47    48   0.13050  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    77   0.47100  1.0 1.0
   46    44    47    48   0.17350  1.0 3.0
   46    44   -47    50   0.47100  1.0 1.0
   46    49    55    56   3.62500 -1.0 2.0
   46    49    55    62   3.62500 -1.0 2.0
   46    49    72    65   3.62500 -1.0 2.0
   46    49   -72    77   3.62500 -1.0 2.0
   46    53    60    61  -0.11600  1.0 1.0
   46    53    60    61  -0.09450 -1.0 2.0
   46    53    60    61   0.21250  1.0 3.0
   49    46    57    50  -0.03700  1.0 1.0
   49    46    57    50   0.37200 -1.0 2.0
   49    46    57    50  -0.47300  1.0 3.0
   49    46    57    58   0.43200  1.0 3.0
   49    46    57    59   0.43200  1.0 3.0
   49    46    53    33  -0.03700  1.0 1.0
   49    46    53    33   0.37200 -1.0 2.0
   49    46    53    33  -0.47300  1.0 3.0
   49    46    53    54   0.43200  1.0 3.0
   49    46    53    60   1.13150  1.0 1.0
   49    46    53    60  -1.01400 -1.0 2.0
   49    55    62    63   3.62500 -1.0 2.0
   49    55    62    64   3.62500 -1.0 2.0
   49    72    77    78   0.00000  1.0 1.0
   49    72    77    79   0.00000  1.0 1.0
   49    72    77    47  -0.46400 -1.0 2.0
   55    49    72    65   3.62500 -1.0 2.0
   55    49    72    77   3.62500 -1.0 2.0
   55    62   -63    65   3.62500 -1.0 2.0
   55    62    63    67   3.62500 -1.0 2.0
   55    62    64    68   1.63200 -1.0 2.0
   56    55    62    63   3.62500 -1.0 2.0
   56    55    62    64   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    72   3.62500 -1.0 2.0
   62    63    67    73   1.63200 -1.0 2.0
   62    64    68    69   0.08050  1.0 3.0
   62    64    68    70   0.08050  1.0 3.0
   62    64    68    71   0.08050  1.0 3.0
   63    62    64    68   1.63200 -1.0 2.0
   63    65   -72    49   3.62500 -1.0 2.0
   63    65    72    77   3.62500 -1.0 2.0
   63    67    73    74   0.08050  1.0 3.0
   63    67    73    75   0.08050  1.0 3.0
   63    67    73    76   0.08050  1.0 3.0
   65    63    67    73   1.63200 -1.0 2.0
   65    72    77    78   0.00000  1.0 1.0
   65    72    77    79   0.00000  1.0 1.0
   65    72    77    47  -0.46400 -1.0 2.0
   66    65    72    49   3.62500 -1.0 2.0
   66    65    72    77   3.62500 -1.0 2.0
   72    49    55    56   3.62500 -1.0 2.0
   72    49   -55    62   3.62500 -1.0 2.0
   72    77   -47    44   0.03550  1.0 1.0
   72    77   -47    44   0.09800 -1.0 2.0
   72    77    47    48   0.17350  1.0 3.0
   72    77    47    50   0.03550  1.0 1.0
   72    77    47    50   0.09800 -1.0 2.0
   77    47    50    51   0.15000  1.0 3.0
   77    47    50    52   0.15000  1.0 3.0
   77    47    50    57   0.47100  1.0 1.0
   78    77    47    44   0.15000  1.0 3.0
   78    77    47    48   0.13050  1.0 3.0
   78    77    47    50   0.15000  1.0 3.0
   79    77    47    44   0.15000  1.0 3.0
   79    77    47    48   0.13050  1.0 3.0
   79    77    47    50   0.15000  1.0 3.0
   47    44   -46    49   1.24050  1.0 1.0
   47    44   -46    49   0.48100 -1.0 2.0
   47    44   -46    49   1.08150  1.0 3.0
   47    44   -46    57   1.36600  1.0 1.0
   47    44   -46    57  -0.11450 -1.0 2.0
   47    44   -46    57   0.24250  1.0 3.0
   47    44    46    53   1.36600  1.0 1.0
   47    44    46    53  -0.11450 -1.0 2.0
   47    44    46    53   0.24250  1.0 3.0
   47    50   -57    46   1.36600  1.0 1.0
   47    50   -57    46  -0.11450 -1.0 2.0
   47    50   -57    46   0.24250  1.0 3.0
   47    50    57    58   0.19200  1.0 3.0
   47    50    57    59   0.19200  1.0 3.0
   48    47    50    51   0.13050  1.0 3.0
   48    47    50    52   0.13050  1.0 3.0
   48    47    50    57   0.17350  1.0 3.0
   51    50    57    46   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   52    50    57    46   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   57    46    49    55   0.04150 -1.0 2.0
   57    46    49    72   0.04150 -1.0 2.0
   57    46    53    33   0.56750  1.0 1.0
   57    46    53    33  -0.07550 -1.0 2.0
   57    46    53    33   0.20000  1.0 3.0
   57    46    53    54   0.15000  1.0 3.0
   57    46    53    60   0.86500  1.0 1.0
   57    46    53    60  -0.17500 -1.0 2.0
   57    46    53    60   0.20800  1.0 3.0
   67    63    65    66   3.62500 -1.0 2.0
   67    63    65    72   3.62500 -1.0 2.0
   64    62    63    65   3.62500 -1.0 2.0
   64    62    63    67   3.62500 -1.0 2.0
   53    33    38    39   0.15000  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33   -38    41   0.56750  1.0 1.0
   53    33   -38    41  -0.07550 -1.0 2.0
   53    33   -38    41   0.20000  1.0 3.0
   53    46    49    55   0.04150 -1.0 2.0
   53    46    49    72   0.04150 -1.0 2.0
   53    46    57    50   0.56750  1.0 1.0
   53    46    57    50  -0.07550 -1.0 2.0
   53    46    57    50   0.20000  1.0 3.0
   53    46    57    58   0.15000  1.0 3.0
   53    46    57    59   0.15000  1.0 3.0
   54    53    60    61   0.19450  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
   55    72    49    46   4.00000 -1.0 2.0
   62    56    55    49   1.10000 -1.0 2.0
   63    64    62    55   4.00000 -1.0 2.0
   65    67    63    62   4.00000 -1.0 2.0
   72    66    65    63   1.10000 -1.0 2.0
   65    77    72    49   4.00000 -1.0 2.0
END
