* LIGAND DATABASE FILE (OPLS2005)
*
001      81    85    160    264     478
    1     0 S   NP   _N1_     1    28.76796    95.31819   -21.06944
    2     1 S   H    _HN1     2     1.02911    82.66602    28.42298
    3     1 S   H    _H1_     3     1.02890    38.86054   158.19031
    4     1 S   H    _H2_     4     1.02814    88.02289   -80.05814
    5     1 S   CT   _CA1     5     1.50203   149.18120   147.66583
    6     5 S   HC   _HA1     6     1.09685   104.92443    68.06416
    7     5 S   CO3  _C1_     7     1.54034   111.26431   -49.67564
    8     7 S   O2Z  _O11     8     1.26137   115.88911   -84.86893
    9     7 S   O2Z  _O12     9     1.26399   114.34566    93.51880
   10     5 S   CT   _CB1    10     1.53153   107.18069  -175.91448
   11    10 S   HC   HB11    11     1.09816   109.06847   -53.11636
   12    10 S   HC   HB12    12     1.09778   110.82395    63.41596
   13    10 S   CT   _CG1    13     1.52922   112.21568  -174.12877
   14    13 S   HC   HG11    14     1.09366   110.25662   -66.07278
   15    13 S   HC   HG12    15     1.09642   109.86847    52.82208
   16    13 S   C    _CD1    16     1.51764   112.63814   172.47407
   17    16 S   O    _OE1    17     1.22743   123.12698   -11.13385
   18    16 S   N    _N2_    18     1.38731   111.79348   171.00566
   19    18 S   H    _HN2    19     1.01554   119.26324    -2.61853
   20    18 S   CT1  _CA2    20     1.46313   123.16886   173.83541
   21    20 S   HC   _HA2    21     1.09671   109.22699     4.95274
   22    20 S   C    _C2_    22     1.53807   109.21523  -111.27488
   23    22 S   O    _O2_    23     1.23088   121.83368  -161.62318
   24    20 S   CT   _CB2    32     1.53465   112.12525   127.27921
   25    24 S   HC   HB21    33     1.09327   109.22756    66.50373
   26    24 S   HC   HB22    34     1.09545   109.99730  -176.20264
   27    22 S   N    _N3_    24     1.38145   114.26607    23.51485
   28    27 S   H    _HN3    25     1.01531   119.11980     1.61010
   29    24 S   S    _SG2    35     1.82897   112.10018   -56.29571
   30    27 S   CT   _CA3    26     1.45284   123.90504  -179.45035
   31    30 S   HC   HA31    27     1.09493   107.43278   -80.87228
   32    30 S   HC   HA32    28     1.09542   108.59720    36.00101
   33    29 S   CT   _C5_    36     1.85047   101.00510   151.78805
   34    33 S   OM   _O33    37     1.31884   110.03679  -178.06326
   35    30 S   CO3  _C3_    29     1.52969   112.90902   158.91297
   36    35 S   O2Z  _O31    30     1.26455   115.63290    28.17379
   37    35 S   O2Z  _O32    31     1.26327   114.86438  -151.30528
   38    33 S   CT   _C4_    38     1.54476   107.25067    66.74015
   39    38 S   HC   _H8_    39     1.09705   111.43967   -66.05704
   40    38 S   HC   _H9_    40     1.09993   111.21149   177.38925
   41    38 S   HC   _H10    41     1.09822   113.29132    56.34508
   42    33 S   OS   _O34    42     1.44915   115.43333   -49.33678
   43    42 S   CA   _C6_    43     1.36341   122.12677   -46.94641
   44    43 S   CA   _C7_    44     1.40073   126.33546   -33.74441
   45    44 S   HA   _H11    45     1.08559   121.32292    -0.19281
   46    44 S   CA   _C8_    46     1.41144   121.06073  -177.78698
   47    46 S   HA   _H12    47     1.08748   119.13564   176.97334
   48    46 S   CA   _C9_    48     1.39483   120.55035    -2.06213
   49    48 S   CR3  _C10    49     1.38105   117.00680    -0.74362
   50    48 S   CT   _C17    64     1.50400   123.68065   173.87142
   51    50 S   HC   _H17    65     1.09824   106.67588   -59.91823
   52    50 S   HC   _H18    66     1.09256   109.60372    55.21618
   53    43 S   CA   _C11    50     1.38256   116.50138   148.27074
   54    53 S   OS   _O35    51     1.37164   126.64854     3.91266
   55    54 S   CT   _C12    52     1.46883   104.74693   165.91258
   56    55 S   HC   _H3_    53     1.09786   105.40721   142.92825
   57    55 S   CT   _C21    54     1.55226   111.36903  -101.09055
   58    57 S   HC   _H7_    55     1.09799   107.55638  -135.76238
   59    57 S   CM   _C20    56     1.50502   115.83336   105.88923
   60    59 S   HC   _H20    57     1.08646   118.39647  -156.80774
   61    57 S   OH   _O36    80     1.42462   110.33461   -20.22816
   62    61 S   HO   _H21    81     0.97203   108.09812  -176.44813
   63    59 S   CM   _C19    58     1.34124   122.59279    27.78483
   64    63 S   HC   _H19    59     1.08619   119.47157   175.52105
   65    63 S   CT   _C18    60     1.50711   121.40955    -2.07160
   66    65 S   HC   _H6_    61     1.09978   105.97553    87.18178
   67    65 S   CT   _C16    62     1.55608   113.94470  -153.74342
   68    67 S   HC   _H5_    63     1.09716   109.91540   -58.08703
   69    67 S   NP   _N4_    67     1.53872   106.20568  -171.06088
   70    69 S   H    _H4_    68     1.02923   105.25338    54.88987
   71    69 S   CT   _C15    69     1.50901   114.77778   -60.74184
   72    71 S   HC   _H15    70     1.09355   107.92441   -72.04637
   73    71 S   HC   _H16    71     1.09396   106.93745   171.17635
   74    69 S   CT   _C22    76     1.50641   114.03370   168.58520
   75    74 S   HC   _H22    77     1.09107   109.20159    75.40536
   76    74 S   HC   _H23    78     1.09352   107.61818  -164.94798
   77    74 S   HC   _H24    79     1.09263   108.37788   -46.20241
   78    71 S   CT   _C14    72     1.52762   110.74959    51.01375
   79    78 S   HC   _H13    73     1.09827   108.57181    74.49018
   80    78 S   HC   _H14    74     1.09787   108.42829  -170.58293
   81    49 S   CT   _C13    75     1.49320   126.38234  -179.02221
  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   8   5   4   3
   9   6   2   1   1   5   3   2   1   7  10   8   4   9   3  13
  17  13   5   4   7   9  16   7  10   6   9   4   3   1   8   4
  11   5  12   5  12   8  10   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    53  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    53    54  
   44    45    46    47    48    49    53    54    55    81  
   45    46    47    48    49    53    54    50  
   46    47    48    53  
   47    48    49    53    67    50    51    52    81  
   48    49    50  
   49    53    54    55    65    67    68    50    51    52    69    78    81  
   53    54    55    56    57    63    65    66    67    50    51    52    71    78    79    80    81  
   51    52    69    70    71    81    74    53    63    65    66    67    68  
   52    69    65    67    68  
   69    65    67    68  
   54    55    56    57    65    78    81  
   55    56    57    58    59    65    78    81    61  
   56    57    58    59    60    63    65    66    67    71    78    79    80    81    61    62  
   57    58    59    65    78    81    61  
   58    59    60    63    64    65    78    81    61    62  
   59    60    63    81    61    62  
   60    63    64    65    66    67    81    61    62  
   63    64    65    61  
   62    63    81  
    0  
   64    65    66    67    68    69    78    81  
   65    66    67    81  
   66    67    68    69    70    71    78    79    80    81    74  
   67    68    69    78    81  
   68    69    70    71    72    73    78    81    74    75    76    77  
   69    70    71    81    74  
   70    71    72    73    78    79    80    81    74    75    76    77  
   71    72    73    78    74    75    76    77  
   72    73    78    79    80    81    74    75    76    77  
   73    78    79    80    81    74  
   78    79    80    81    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   70   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    53   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   490.000  1.398
   48    50   317.000  1.510
   49    53   490.000  1.398
   49    81   317.000  1.510
   53    54   450.000  1.364
   54    55   320.000  1.410
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    81   268.000  1.529
   57    58   340.000  1.090
   57    59   317.000  1.510
   57    61   320.000  1.410
   59    60   340.000  1.080
   59    63   549.000  1.340
   63    64   340.000  1.080
   63    65   317.000  1.510
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    81   268.000  1.529
   67    68   340.000  1.090
   67    50   268.000  1.529
   67    69   367.000  1.471
   50    51   340.000  1.090
   50    52   340.000  1.090
   69    70   434.000  1.010
   69    71   367.000  1.471
   69    74   367.000  1.471
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    53    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    53    49    70.00000  112.88000
   43    53    54    70.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.88000
   46    48    50    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    53    60.00000  130.80000
   48    49    81    70.00000  120.00000
   48    50    67    70.00000  112.17500
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   49    53    54    70.00000  120.00000
   49    81    55    70.00000  112.17500
   49    81    65    70.00000  112.17500
   49    81    78    70.00000  112.17500
   53    43    44    63.00000  120.00000
   53    54    55    75.00000  111.00000
   54    55    56    35.00000  109.50000
   54    55    57    50.00000  109.50000
   54    55    81    50.00000  109.50000
   55    57    58    37.50000  110.70000
   55    57    59    70.00000  112.02700
   55    57    61    50.00000  109.50000
   55    81    65    58.35000  112.70000
   55    81    78    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    59    60    35.00000  117.00000
   57    59    63    70.00000  124.00000
   57    61    62    55.00000  108.50000
   59    57    58    35.00000  109.50000
   59    63    64    35.00000  120.00000
   59    63    65    70.00000  124.00000
   63    59    60    35.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    67    70.00000  112.02700
   63    65    81    70.00000  112.02700
   65    63    64    35.00000  117.00000
   65    67    68    37.50000  110.70000
   65    67    50    58.35000  112.70000
   65    67    69    80.00000  111.20000
   65    81    78    58.35000  112.70000
   67    65    66    37.50000  110.70000
   67    50    51    37.50000  110.70000
   67    50    52    37.50000  110.70000
   67    69    70    35.00000  109.50000
   67    69    71    75.00000  113.01200
   67    69    74    75.00000  113.01200
   50    48    49    80.00000  105.07000
   50    67    68    37.50000  110.70000
   52    50    51    33.00000  107.80000
   69    67    68    35.00000  109.50000
   69    67    50    80.00000  111.20000
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    78    80.00000  111.20000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    35.00000  109.50000
   71    69    70    35.00000  109.50000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    58.35000  112.70000
   73    71    72    33.00000  107.80000
   78    71    72    37.50000  110.70000
   78    71    73    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    49    53    70.00000  120.00000
   81    55    56    37.50000  110.70000
   81    55    57    58.35000  112.70000
   81    65    66    37.50000  110.70000
   81    65    67    58.35000  112.70000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   74    69    70    35.00000  109.50000
   74    69    71    75.00000  113.01200
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    90.00000  110.39200
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    53   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    53    49   3.62500 -1.0 2.0
   42    43    53    54   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   43    53    54    55   1.63200 -1.0 2.0
   44    43    53    49   3.62500 -1.0 2.0
   44    43    53    54   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    50   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    53   3.62500 -1.0 2.0
   46    48    49    81   3.62500 -1.0 2.0
   46    48    50    67   0.04150 -1.0 2.0
   46    48    50    51   0.00000  1.0 1.0
   46    48    50    52   0.00000  1.0 1.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    49   -53    43   3.62500 -1.0 2.0
   48    49    53    54   3.62500 -1.0 2.0
   48    49    81    55   0.04150 -1.0 2.0
   48    49    81    65   0.04150 -1.0 2.0
   48    49    81    78   0.04150 -1.0 2.0
   49    48    50    67   0.04150 -1.0 2.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52   0.00000  1.0 1.0
   49    53   -54    55   1.63200 -1.0 2.0
   53    43    44    45   3.62500 -1.0 2.0
   53    43   -44    46   3.62500 -1.0 2.0
   53    49   -81    55   0.04150 -1.0 2.0
   53    49    81    65   0.04150 -1.0 2.0
   53    49    81    78   0.04150 -1.0 2.0
   53    54    55    56   0.08050  1.0 3.0
   53    54    55    57  -0.32850  1.0 1.0
   53    54    55    57  -0.35800 -1.0 2.0
   53    54    55    57   0.33950  1.0 3.0
   53    54   -55    81  -0.32850  1.0 1.0
   53    54   -55    81  -0.35800 -1.0 2.0
   53    54   -55    81   0.33950  1.0 3.0
   54    55    57    58   0.23400  1.0 3.0
   54    55    57    59   0.61850  1.0 1.0
   54    55    57    59  -0.22750 -1.0 2.0
   54    55    57    59   0.15300  1.0 3.0
   54    55    57    61   3.69350  1.0 1.0
   54    55    57    61  -1.82950 -1.0 2.0
   54    55   -81    49  -0.64350  1.0 1.0
   54    55   -81    49  -0.04200 -1.0 2.0
   54    55   -81    49   0.19800  1.0 3.0
   54    55    81    65   0.62750  1.0 1.0
   54    55    81    65  -0.30950 -1.0 2.0
   54    55    81    65   0.27300  1.0 3.0
   54    55    81    78   0.62750  1.0 1.0
   54    55    81    78  -0.30950 -1.0 2.0
   54    55    81    78   0.27300  1.0 3.0
   55    57    59    60   0.00000  1.0 1.0
   55    57    59    63   0.09850  1.0 1.0
   55    57    59    63   0.15250 -1.0 2.0
   55    57    59    63  -0.50650  1.0 3.0
   55    57    61    62  -0.11600  1.0 1.0
   55    57    61    62  -0.09450 -1.0 2.0
   55    57    61    62   0.21250  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    61   0.23400  1.0 3.0
   56    55    81    49   0.43200  1.0 3.0
   56    55    81    65   0.15000  1.0 3.0
   56    55    81    78   0.15000  1.0 3.0
   57    55    81    49  -0.03700  1.0 1.0
   57    55    81    49   0.37200 -1.0 2.0
   57    55    81    49  -0.47300  1.0 3.0
   57    55    81    65   0.56750  1.0 1.0
   57    55    81    65  -0.07550 -1.0 2.0
   57    55    81    65   0.20000  1.0 3.0
   57    55    81    78   0.56750  1.0 1.0
   57    55    81    78  -0.07550 -1.0 2.0
   57    55    81    78   0.20000  1.0 3.0
   57    59    63    64   7.00000 -1.0 2.0
   57    59   -63    65   7.00000 -1.0 2.0
   58    57    59    60   0.33100  1.0 3.0
   58    57    59    63   0.00000  1.0 1.0
   58    57    61    62   0.19450  1.0 3.0
   59    57    61    62  -0.07800  1.0 1.0
   59    57    61    62  -0.21500 -1.0 2.0
   59    57    61    62  -0.03150  1.0 3.0
   59    63    65    66   0.00000  1.0 1.0
   59    63    65    67   0.09850  1.0 1.0
   59    63    65    67   0.15250 -1.0 2.0
   59    63    65    67  -0.50650  1.0 3.0
   59    63    65    81   0.09850  1.0 1.0
   59    63    65    81   0.15250 -1.0 2.0
   59    63    65    81  -0.50650  1.0 3.0
   60    59    63    64   7.00000 -1.0 2.0
   60    59    63    65   7.00000 -1.0 2.0
   63    65    67    68   0.15000  1.0 3.0
   63    65    67    50   0.34400  1.0 1.0
   63    65    67    50   0.09450 -1.0 2.0
   63    65    67    50   0.11100  1.0 3.0
   63    65    67    69  -0.47300  1.0 1.0
   63    65    67    69   0.29700 -1.0 2.0
   63    65    67    69   0.83300  1.0 3.0
   63    65    81    49   0.21200  1.0 1.0
   63    65    81    49   0.16900 -1.0 2.0
   63    65    81    49  -1.15100  1.0 3.0
   63    65   -81    55   0.34400  1.0 1.0
   63    65   -81    55   0.09450 -1.0 2.0
   63    65   -81    55   0.11100  1.0 3.0
   63    65    81    78   0.34400  1.0 1.0
   63    65    81    78   0.09450 -1.0 2.0
   63    65    81    78   0.11100  1.0 3.0
   64    63    65    66   0.33100  1.0 3.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    81   0.00000  1.0 1.0
   65    67   -50    48  -0.03700  1.0 1.0
   65    67   -50    48   0.37200 -1.0 2.0
   65    67   -50    48  -0.47300  1.0 3.0
   65    67    50    51   0.15000  1.0 3.0
   65    67    50    52   0.15000  1.0 3.0
   65    67    69    70   0.17350  1.0 3.0
   65    67    69    71   0.47100  1.0 1.0
   65    67    69    74   0.47100  1.0 1.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    50   0.15000  1.0 3.0
   66    65    67    69   0.19200  1.0 3.0
   66    65    81    49   0.43200  1.0 3.0
   66    65    81    55   0.15000  1.0 3.0
   66    65    81    78   0.15000  1.0 3.0
   67    65   -81    49  -0.03700  1.0 1.0
   67    65   -81    49   0.37200 -1.0 2.0
   67    65   -81    49  -0.47300  1.0 3.0
   67    65    81    55   0.56750  1.0 1.0
   67    65    81    55  -0.07550 -1.0 2.0
   67    65    81    55   0.20000  1.0 3.0
   67    65    81    78   0.56750  1.0 1.0
   67    65    81    78  -0.07550 -1.0 2.0
   67    65    81    78   0.20000  1.0 3.0
   67    69    71    72   0.15000  1.0 3.0
   67    69    71    73   0.15000  1.0 3.0
   67    69   -71    78   0.47100  1.0 1.0
   67    69    74    75   0.15000  1.0 3.0
   67    69    74    76   0.15000  1.0 3.0
   67    69    74    77   0.15000  1.0 3.0
   68    67    50    48   0.43200  1.0 3.0
   68    67    50    51   0.15000  1.0 3.0
   68    67    50    52   0.15000  1.0 3.0
   68    67    69    70   0.13050  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    74   0.15000  1.0 3.0
   50    48    49    53   3.62500 -1.0 2.0
   50    48    49    81   3.62500 -1.0 2.0
   50    67    69    70   0.17350  1.0 3.0
   50    67    69    71   0.47100  1.0 1.0
   50    67    69    74   0.47100  1.0 1.0
   69    67    50    48   1.24050  1.0 1.0
   69    67    50    48   0.48100 -1.0 2.0
   69    67    50    48   1.08150  1.0 3.0
   69    67    50    51   0.19200  1.0 3.0
   69    67    50    52   0.19200  1.0 3.0
   69    71    78    79   0.19200  1.0 3.0
   69    71    78    80   0.19200  1.0 3.0
   69    71    78    81   1.36600  1.0 1.0
   69    71    78    81  -0.11450 -1.0 2.0
   69    71    78    81   0.24250  1.0 3.0
   70    69    71    72   0.13050  1.0 3.0
   70    69    71    73   0.13050  1.0 3.0
   70    69    71    78   0.17350  1.0 3.0
   70    69    74    75   0.13050  1.0 3.0
   70    69    74    76   0.13050  1.0 3.0
   70    69    74    77   0.13050  1.0 3.0
   71    69    74    75   0.15000  1.0 3.0
   71    69    74    76   0.15000  1.0 3.0
   71    69    74    77   0.15000  1.0 3.0
   71    78    81    49  -0.03700  1.0 1.0
   71    78    81    49   0.37200 -1.0 2.0
   71    78    81    49  -0.47300  1.0 3.0
   71    78    81    55   0.56750  1.0 1.0
   71    78    81    55  -0.07550 -1.0 2.0
   71    78    81    55   0.20000  1.0 3.0
   71    78   -81    65   0.56750  1.0 1.0
   71    78   -81    65  -0.07550 -1.0 2.0
   71    78   -81    65   0.20000  1.0 3.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    81   0.15000  1.0 3.0
   73    71    78    79   0.15000  1.0 3.0
   73    71    78    80   0.15000  1.0 3.0
   73    71    78    81   0.15000  1.0 3.0
   79    78    81    49   0.43200  1.0 3.0
   79    78    81    55   0.15000  1.0 3.0
   79    78    81    65   0.15000  1.0 3.0
   80    78    81    49   0.43200  1.0 3.0
   80    78    81    55   0.15000  1.0 3.0
   80    78    81    65   0.15000  1.0 3.0
   81    49    53    43   3.62500 -1.0 2.0
   81    49   -53    54   3.62500 -1.0 2.0
   81    55    57    58   0.15000  1.0 3.0
   81    55   -57    59   0.34400  1.0 1.0
   81    55   -57    59   0.09450 -1.0 2.0
   81    55   -57    59   0.11100  1.0 3.0
   81    55    57    61   0.86500  1.0 1.0
   81    55    57    61  -0.17500 -1.0 2.0
   81    55    57    61   0.20800  1.0 3.0
   81    65    67    68   0.15000  1.0 3.0
   81    65   -67    50   0.56750  1.0 1.0
   81    65   -67    50  -0.07550 -1.0 2.0
   81    65   -67    50   0.20000  1.0 3.0
   81    65   -67    69   1.36600  1.0 1.0
   81    65   -67    69  -0.11450 -1.0 2.0
   81    65   -67    69   0.24250  1.0 3.0
   74    69    71    72   0.15000  1.0 3.0
   74    69    71    73   0.15000  1.0 3.0
   74    69    71    78   0.47100  1.0 1.0
   61    57    59    60   0.00000  1.0 1.0
   61    57    59    63   0.67800  1.0 1.0
   61    57    59    63   0.47050 -1.0 2.0
   61    57    59    63  -0.62500  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
   44    53    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    50    48    46   4.00000 -1.0 2.0
   53    81    49    48   4.00000 -1.0 2.0
   49    54    53    43   4.00000 -1.0 2.0
   57    60    59    63   1.10000 -1.0 2.0
   65    64    63    59   1.10000 -1.0 2.0
END
