* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    160    259     478
    1     0 S   NP   _N1_     1    28.72902    95.94692   -24.09355
    2     1 S   H    _HN1     2     1.02828    32.83813   169.20995
    3     1 S   H    _H1_     3     1.02790   109.92997   -98.46243
    4     1 S   H    _H2_     4     1.02948    75.63187     6.19657
    5     1 S   CT   _CA1     5     1.50120   132.24982   110.89417
    6     5 S   HC   _HA1     6     1.09574   105.17636    88.85727
    7     5 S   CO3  _C1_     7     1.53775   112.44577   -31.35781
    8     7 S   O2Z  _O11     8     1.26375   115.00550   -42.97533
    9     7 S   O2Z  _O12     9     1.26236   114.94176   136.06575
   10     5 S   CT   _CB1    10     1.53066   107.40582  -153.18162
   11    10 S   HC   HB11    11     1.09838   109.34015   -49.58651
   12    10 S   HC   HB12    12     1.09811   110.47091    67.01063
   13    10 S   CT   _CG1    13     1.53007   112.62743  -170.53874
   14    13 S   HC   HG11    14     1.09575   110.68808   -66.65955
   15    13 S   HC   HG12    15     1.09671   109.73371    52.58056
   16    13 S   C    _CD1    16     1.51813   112.08966   173.03891
   17    16 S   O    _OE1    17     1.22748   123.21699     9.99714
   18    16 S   N    _N2_    18     1.38639   111.75528  -170.02999
   19    18 S   H    _HN2    19     1.01579   119.01783     1.22269
   20    18 S   CT1  _CA2    20     1.46244   123.42532   176.98916
   21    20 S   HC   _HA2    21     1.09740   109.25475     6.36248
   22    20 S   C    _C2_    22     1.53669   109.00457  -109.12810
   23    22 S   O    _O2_    23     1.23079   122.23273  -150.63429
   24    20 S   CT   _CB2    32     1.53346   111.51471   128.28884
   25    24 S   HC   HB21    33     1.09480   109.82068    56.33739
   26    24 S   HC   HB22    34     1.09504   110.15405   175.42817
   27    22 S   N    _N3_    24     1.38317   113.89395    36.93877
   28    27 S   H    _HN3    25     1.01546   119.58103    -3.41530
   29    24 S   S    _SG2    35     1.82825   111.33521   -64.86077
   30    27 S   CT   _CA3    26     1.45273   123.27088   177.14563
   31    30 S   HC   HA31    27     1.09548   107.52592   -64.53654
   32    30 S   HC   HA32    28     1.09557   107.98268    51.91829
   33    29 S   CT   _C15    36     1.87330    99.70705  -176.50458
   34    33 S   HC   _H8_    37     1.09997   103.42348    45.25757
   35    30 S   CO3  _C3_    29     1.52970   114.04400   173.91775
   36    35 S   O2Z  _O31    30     1.26383   116.07558    -0.11364
   37    35 S   O2Z  _O32    31     1.26427   114.41393   179.93744
   38    33 S   CT   _C14    38     1.58576   109.07308   -70.61241
   39    38 S   OM   _O35    39     1.32855   107.33684   117.64348
   40    38 S   HC   _H7_    40     1.10077   106.69969    -8.78707
   41    33 S   CT   _C16    70     1.58362   112.93485   159.50502
   42    38 S   CT   _C13    41     1.56281   115.34194  -123.06186
   43    42 S   HC   _H6_    42     1.10044   108.82402  -164.82534
   44    50 S   CT   _C11    71     1.53206   113.85337    23.87771
   45    44 S   HC   _H5_    72     1.10154   109.84962   -91.21425
   46    41 S   CT   _C20    73     1.55807   111.15210    43.70938
   47    46 S   HC   _H18    74     1.08788   113.41477    39.02786
   48    46 S   HC   _H19    75     1.09805   111.10843   -80.05222
   49    46 S   HC   _H20    76     1.09316   113.46406   161.14639
   50    42 S   CT   _C12    43     1.54784   115.65214   -41.56952
   51    42 S   OH   _O36    81     1.43331   107.38686    84.14067
   52    51 S   HO   _H21    82     0.97325   107.61062   168.72764
   53    50 S   CO4  _C21    44     1.52255   115.15365   140.09937
   54    53 S   O    _O37    45     1.22238   125.88632    41.33570
   55    50 S   CT   _C22    77     1.54669   109.53397  -100.50244
   56    55 S   HC   _H22    78     1.09442   111.66760    64.42807
   57    55 S   HC   _H23    79     1.09659   110.79356   -55.95647
   58    55 S   HC   _H24    80     1.09560   112.37026  -174.67785
   59    53 S   OS   _O38    46     1.37153   110.29966  -140.52333
   60    59 S   CT   _C10    47     1.43012   109.40752    -4.34244
   61    60 S   HC   _H4_    48     1.09739   107.19296   -93.20390
   62    60 S   CM   _C9_    49     1.49631   111.30918   149.66602
   63    62 S   HC   _H16    50     1.08500   115.66517    60.78304
   64    62 S   CM   _C8_    51     1.34503   123.25263  -121.72039
   65    64 S   CM   _C17    52     1.46789   120.32675     5.58427
   66    65 S   CM   _C18    53     1.34283   118.35781  -155.34861
   67    66 S   HC   _H17    54     1.08176   122.95398   178.88373
   68    66 S   CO4  _C19    55     1.47342   122.52733     2.33992
   69    68 S   O    _O33    56     1.22580   120.85703   168.19410
   70    68 S   OS   _O34    57     1.35317   116.67569   -10.76704
   71    64 S   CT   _C7_    58     1.51304   126.11926  -177.48635
   72    71 S   HC   _H3_    59     1.09983   107.31110  -108.93954
   73    71 S   CT   _C5_    60     1.55283   117.93951    12.27138
   74    73 S   HC   _H12    61     1.09691   109.15525   -52.24477
   75    73 S   CT   _C4_    62     1.53437   113.02476    68.84616
   76    75 S   HC   _H9_    63     1.09526   111.62536    63.41985
   77    75 S   HC   _H10    64     1.09326   111.95937   -57.57447
   78    75 S   HC   _H11    65     1.09564   110.35712  -177.07103
   79    73 S   CT   _C6_    66     1.53561   110.36567  -169.32003
   80    79 S   HC   _H13    67     1.09512   111.74855   -63.17609
   81    79 S   HC   _H14    68     1.09541   110.64670   176.62438
   82    79 S   HC   _H15    69     1.09512   110.75751    57.40309
  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
  19   8   2   1   1  13   6   5  20  14   6  21   9   8   3   2
   1  13   3   1   9   3   5   2   1   1   5   6   3   8   3  11
   8   5   3   5   2   6  11   4   9   8   7   3   2   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    65    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    50    60    64    65    66    41    44    45    46    47    48    49    51  
   38    39    40    42    65    41    44    46  
   36    37  
   37  
    0  
   39    40    42    43    50    53    65    41    44    46    55    51    52  
   40    42    43    50    41    51  
   42    43    50    41    51  
   44    45    46    47    48    49    55    42    50    53    59    60    61    62    64    65    66    67    68    71  
   43    50    53    54    59    60    44    45    55    56    57    58    51    52  
   50    53    44    55    51    52  
   45    46    47    48    49    55    56    57    58    51    50    53    54    59    60    61    62    63    64    65    66  
   46    55    50    53    59    60    61    62    65  
   47    48    49    50    60    64    65    66  
   48    49    65  
   49    65  
   65  
   53    54    59    60    61    62    65    55    56    57    58    51    52  
   52    53    55  
    0  
   54    59    60    61    62    55    56    57    58  
   59    60    55  
   56    57    58    59    60  
   57    58  
   58  
    0  
   60    61    62    63    64  
   61    62    63    64    65    71  
   62    63    64  
   63    64    65    66    70    71    72    73  
   64    65    71  
   65    66    67    68    70    71    72    73    74    75    79  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71  
   68    69    70  
   69    70    71    72    73  
   70    71  
   71    72    73    74    75    79  
   72    73    74    75    76    77    78    79    80    81    82  
   73    74    75    79  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    41   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    50   268.000  1.529
   42    51   320.000  1.410
   50    53   317.000  1.522
   50    44   268.000  1.529
   50    55   268.000  1.529
   53    54   570.000  1.229
   53    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    44   268.000  1.529
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   380.000  1.444
   64    71   317.000  1.510
   65    66   549.000  1.340
   65    41   317.000  1.510
   66    67   340.000  1.080
   66    68   320.000  1.462
   68    69   570.000  1.229
   68    70   214.000  1.327
   70    71   320.000  1.410
   71    72   340.000  1.090
   71    73   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    79   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   41    44   268.000  1.529
   41    46   268.000  1.529
   44    45   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   51    52   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    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    65    70.00000  112.02700
   33    41    44    58.35000  112.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    50    58.35000  112.70000
   38    42    51    50.00000  109.50000
   40    38    39    45.00000  125.66300
   42    38    39    50.00000  109.50000
   42    38    40    37.50000  110.70000
   42    50    53    63.00000  111.10000
   42    50    44    58.35000  112.70000
   42    50    55    58.35000  112.70000
   42    51    52    55.00000  108.50000
   50    42    43    37.50000  110.70000
   50    53    54    80.00000  120.40000
   50    53    59    81.00000  111.40000
   50    44    60    58.35000  112.70000
   50    44    41    58.35000  112.70000
   50    44    45    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   53    59    60    83.00000  116.90000
   59    53    54    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    85.00000  110.90400
   59    60    44    50.00000  109.50000
   60    62    63    35.00000  117.00000
   60    62    64    70.00000  124.00000
   60    44    41    58.35000  112.70000
   60    44    45    37.50000  110.70000
   62    60    61    35.00000  109.50000
   62    64    65    70.00000  123.01800
   62    64    71    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    70.00000  123.01800
   64    65    41    70.00000  124.00000
   64    71    70    85.00000  110.90400
   64    71    72    35.00000  109.50000
   64    71    73    70.00000  112.02700
   65    66    67    35.00000  120.00000
   65    66    68    65.00000  118.96000
   65    41    44    70.00000  112.02700
   65    41    46    70.00000  112.02700
   66    68    69    80.00000  123.72100
   66    68    70    90.00000  111.29400
   68    66    67    40.00000  117.72500
   68    70    71    83.00000  116.90000
   70    68    69    83.00000  123.40000
   70    71    72    35.00000  109.50000
   70    71    73    50.00000  109.50000
   71    64    65    70.00000  124.00000
   71    73    74    37.50000  110.70000
   71    73    75    58.35000  112.70000
   71    73    79    58.35000  112.70000
   73    71    72    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    77    37.50000  110.70000
   73    75    78    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    82    37.50000  110.70000
   75    73    74    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    73    74    37.50000  110.70000
   79    73    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    65    66    70.00000  124.00000
   41    44    45    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   44    50    53    63.00000  111.10000
   44    60    61    37.50000  110.70000
   44    60    62    70.00000  112.02700
   46    41    44    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   55    50    53    63.00000  111.10000
   55    50    44    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   51    42    43    35.00000  109.50000
   51    42    50    50.00000  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    65   0.56750  1.0 1.0
   29    33    41    65  -0.07550 -1.0 2.0
   29    33    41    65   0.20000  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    50   0.56750  1.0 1.0
   33    38    42    50  -0.07550 -1.0 2.0
   33    38    42    50   0.20000  1.0 3.0
   33    38    42    51   0.86500  1.0 1.0
   33    38    42    51  -0.17500 -1.0 2.0
   33    38    42    51   0.20800  1.0 3.0
   33    41   -44    50   0.56750  1.0 1.0
   33    41   -44    50  -0.07550 -1.0 2.0
   33    41   -44    50   0.20000  1.0 3.0
   33    41    44    60   0.56750  1.0 1.0
   33    41    44    60  -0.07550 -1.0 2.0
   33    41    44    60   0.20000  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    65   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    65   0.34400  1.0 1.0
   38    33    41    65   0.09450 -1.0 2.0
   38    33    41    65   0.11100  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    42    50    53  -0.95700  1.0 1.0
   38    42    50    53  -0.18200 -1.0 2.0
   38    42    50    53   0.29450  1.0 3.0
   38    42   -50    44   0.56750  1.0 1.0
   38    42   -50    44  -0.07550 -1.0 2.0
   38    42   -50    44   0.20000  1.0 3.0
   38    42    50    55   0.56750  1.0 1.0
   38    42    50    55  -0.07550 -1.0 2.0
   38    42    50    55   0.20000  1.0 3.0
   38    42    51    52  -0.11600  1.0 1.0
   38    42    51    52  -0.09450 -1.0 2.0
   38    42    51    52   0.21250  1.0 3.0
   39    38    42    43   0.23400  1.0 3.0
   39    38    42    50   0.62750  1.0 1.0
   39    38    42    50  -0.30950 -1.0 2.0
   39    38    42    50   0.27300  1.0 3.0
   39    38    42    51   3.69350  1.0 1.0
   39    38    42    51  -1.82950 -1.0 2.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    50   0.15000  1.0 3.0
   40    38    42    51   0.23400  1.0 3.0
   42    50    53    54   0.30150 -1.0 2.0
   42    50    53    59   0.36750  1.0 3.0
   42    50    44    60   0.56750  1.0 1.0
   42    50    44    60  -0.07550 -1.0 2.0
   42    50    44    60   0.20000  1.0 3.0
   42    50    44    41   0.56750  1.0 1.0
   42    50    44    41  -0.07550 -1.0 2.0
   42    50    44    41   0.20000  1.0 3.0
   42    50    44    45   0.15000  1.0 3.0
   42    50    55    56   0.15000  1.0 3.0
   42    50    55    57   0.15000  1.0 3.0
   42    50    55    58   0.15000  1.0 3.0
   43    42    50    53  -0.11250  1.0 3.0
   43    42    50    44   0.15000  1.0 3.0
   43    42    50    55   0.15000  1.0 3.0
   43    42    51    52   0.19450  1.0 3.0
   50    42    51    52  -0.11600  1.0 1.0
   50    42    51    52  -0.09450 -1.0 2.0
   50    42    51    52   0.21250  1.0 3.0
   50    53   -59    60   1.63150  1.0 1.0
   50    53   -59    60   2.92000 -1.0 2.0
   53    50   -44    60  -0.95700  1.0 1.0
   53    50   -44    60  -0.18200 -1.0 2.0
   53    50   -44    60   0.29450  1.0 3.0
   53    50    44    41  -0.95700  1.0 1.0
   53    50    44    41  -0.18200 -1.0 2.0
   53    50    44    41   0.29450  1.0 3.0
   53    50    44    45  -0.11250  1.0 3.0
   53    50    55    56  -0.11250  1.0 3.0
   53    50    55    57  -0.11250  1.0 3.0
   53    50    55    58  -0.11250  1.0 3.0
   53    59    60    61   0.08050  1.0 3.0
   53    59    60    62  -0.82050  1.0 1.0
   53    59    60    62   0.00600 -1.0 2.0
   53    59    60    62   0.04400  1.0 3.0
   53    59   -60    44  -0.25900  1.0 1.0
   53    59   -60    44  -0.47000 -1.0 2.0
   53    59   -60    44   0.11750  1.0 3.0
   54    53    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.00000  1.0 1.0
   59    60    62    64   0.39000  1.0 1.0
   59    60    62    64  -0.05800 -1.0 2.0
   59    60    62    64  -0.55150  1.0 3.0
   59    60   -44    50   0.62750  1.0 1.0
   59    60   -44    50  -0.30950 -1.0 2.0
   59    60   -44    50   0.27300  1.0 3.0
   59    60    44    41   0.62750  1.0 1.0
   59    60    44    41  -0.30950 -1.0 2.0
   59    60    44    41   0.27300  1.0 3.0
   59    60    44    45   0.23400  1.0 3.0
   60    62    64    65   7.00000 -1.0 2.0
   60    62    64    71   7.00000 -1.0 2.0
   61    60    62    63   0.33100  1.0 3.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    44    50   0.15000  1.0 3.0
   61    60    44    41   0.15000  1.0 3.0
   61    60    44    45   0.15000  1.0 3.0
   62    60    44    50   0.34400  1.0 1.0
   62    60    44    50   0.09450 -1.0 2.0
   62    60    44    50   0.11100  1.0 3.0
   62    60    44    41   0.34400  1.0 1.0
   62    60    44    41   0.09450 -1.0 2.0
   62    60    44    41   0.11100  1.0 3.0
   62    60    44    45   0.15000  1.0 3.0
   62    64    65    66   0.28850  1.0 1.0
   62    64    65    66   2.61350 -1.0 2.0
   62    64    65    66   0.78400  1.0 3.0
   62    64   -65    41  -0.18600  1.0 3.0
   62    64    71    70   0.39000  1.0 1.0
   62    64    71    70  -0.05800 -1.0 2.0
   62    64    71    70  -0.55150  1.0 3.0
   62    64    71    72   0.00000  1.0 1.0
   62    64    71    73   0.09850  1.0 1.0
   62    64    71    73   0.15250 -1.0 2.0
   62    64    71    73  -0.50650  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    71   7.00000 -1.0 2.0
   64    65    66    67   7.00000 -1.0 2.0
   64    65    66    68   7.00000 -1.0 2.0
   64    65    41    33   0.98200  1.0 1.0
   64    65    41    33  -0.11900 -1.0 2.0
   64    65    41    33   0.24250  1.0 3.0
   64    65    41    44   0.98200  1.0 1.0
   64    65    41    44  -0.11900 -1.0 2.0
   64    65    41    44   0.24250  1.0 3.0
   64    65    41    46   0.98200  1.0 1.0
   64    65    41    46  -0.11900 -1.0 2.0
   64    65    41    46   0.24250  1.0 3.0
   64    71    73    74   0.15000  1.0 3.0
   64    71    73    75   0.34400  1.0 1.0
   64    71    73    75   0.09450 -1.0 2.0
   64    71    73    75   0.11100  1.0 3.0
   64    71    73    79   0.34400  1.0 1.0
   64    71    73    79   0.09450 -1.0 2.0
   64    71    73    79   0.11100  1.0 3.0
   65    64    71    70   0.39000  1.0 1.0
   65    64    71    70  -0.05800 -1.0 2.0
   65    64    71    70  -0.55150  1.0 3.0
   65    64    71    72   0.00000  1.0 1.0
   65    64    71    73   0.98200  1.0 1.0
   65    64    71    73  -0.11900 -1.0 2.0
   65    64    71    73   0.24250  1.0 3.0
   65    66    68    69   1.00000 -1.0 2.0
   65    66   -68    70  -0.56150  1.0 1.0
   65    66   -68    70   2.19150 -1.0 2.0
   65    41    44    50   0.34400  1.0 1.0
   65    41    44    50   0.09450 -1.0 2.0
   65    41    44    50   0.11100  1.0 3.0
   65    41   -44    60   0.34400  1.0 1.0
   65    41   -44    60   0.09450 -1.0 2.0
   65    41   -44    60   0.11100  1.0 3.0
   65    41    44    45   0.15000  1.0 3.0
   65    41    46    47   0.15000  1.0 3.0
   65    41    46    48   0.15000  1.0 3.0
   65    41    46    49   0.15000  1.0 3.0
   66    65    41    33   0.09850  1.0 1.0
   66    65    41    33   0.15250 -1.0 2.0
   66    65    41    33  -0.50650  1.0 3.0
   66    65    41    44   0.09850  1.0 1.0
   66    65    41    44   0.15250 -1.0 2.0
   66    65    41    44  -0.50650  1.0 3.0
   66    65    41    46   0.09850  1.0 1.0
   66    65    41    46   0.15250 -1.0 2.0
   66    65    41    46  -0.50650  1.0 3.0
   66    68    70    71   2.00000 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   1.63100 -1.0 2.0
   68    70   -71    64  -0.82050  1.0 1.0
   68    70   -71    64   0.00600 -1.0 2.0
   68    70   -71    64   0.04400  1.0 3.0
   68    70    71    72   0.08050  1.0 3.0
   68    70    71    73  -0.25900  1.0 1.0
   68    70    71    73  -0.47000 -1.0 2.0
   68    70    71    73   0.11750  1.0 3.0
   69    68    70    71   3.00000 -1.0 2.0
   70    71    73    74   0.23400  1.0 3.0
   70    71    73    75   0.62750  1.0 1.0
   70    71    73    75  -0.30950 -1.0 2.0
   70    71    73    75   0.27300  1.0 3.0
   70    71    73    79   0.62750  1.0 1.0
   70    71    73    79  -0.30950 -1.0 2.0
   70    71    73    79   0.27300  1.0 3.0
   71    64   -65    66  -0.18600  1.0 3.0
   71    64    65    41   0.35650  1.0 1.0
   71    64    65    41   0.31450 -1.0 2.0
   71    73    75    76   0.15000  1.0 3.0
   71    73    75    77   0.15000  1.0 3.0
   71    73    75    78   0.15000  1.0 3.0
   71    73    79    80   0.15000  1.0 3.0
   71    73    79    81   0.15000  1.0 3.0
   71    73    79    82   0.15000  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   72    71    73    79   0.15000  1.0 3.0
   74    73    75    76   0.15000  1.0 3.0
   74    73    75    77   0.15000  1.0 3.0
   74    73    75    78   0.15000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    82   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   75    73    79    82   0.15000  1.0 3.0
   79    73    75    76   0.15000  1.0 3.0
   79    73    75    77   0.15000  1.0 3.0
   79    73    75    78   0.15000  1.0 3.0
   41    33    38    39   0.62750  1.0 1.0
   41    33    38    39  -0.30950 -1.0 2.0
   41    33    38    39   0.27300  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    42   0.56750  1.0 1.0
   41    33   -38    42  -0.07550 -1.0 2.0
   41    33   -38    42   0.20000  1.0 3.0
   41    65    66    67   7.00000 -1.0 2.0
   41    65    66    68   7.00000 -1.0 2.0
   44    50    53    54   0.30150 -1.0 2.0
   44    50   -53    59   0.36750  1.0 3.0
   44    50    55    56   0.15000  1.0 3.0
   44    50    55    57   0.15000  1.0 3.0
   44    50    55    58   0.15000  1.0 3.0
   44    60    62    63   0.00000  1.0 1.0
   44    60   -62    64   0.09850  1.0 1.0
   44    60   -62    64   0.15250 -1.0 2.0
   44    60   -62    64  -0.50650  1.0 3.0
   44    41    46    47   0.15000  1.0 3.0
   44    41    46    48   0.15000  1.0 3.0
   44    41    46    49   0.15000  1.0 3.0
   46    41    44    50   0.56750  1.0 1.0
   46    41    44    50  -0.07550 -1.0 2.0
   46    41    44    50   0.20000  1.0 3.0
   46    41    44    60   0.56750  1.0 1.0
   46    41    44    60  -0.07550 -1.0 2.0
   46    41    44    60   0.20000  1.0 3.0
   46    41    44    45   0.15000  1.0 3.0
   55    50    53    54   0.30150 -1.0 2.0
   55    50    53    59   0.36750  1.0 3.0
   55    50    44    60   0.56750  1.0 1.0
   55    50    44    60  -0.07550 -1.0 2.0
   55    50    44    60   0.20000  1.0 3.0
   55    50    44    41   0.56750  1.0 1.0
   55    50    44    41  -0.07550 -1.0 2.0
   55    50    44    41   0.20000  1.0 3.0
   55    50    44    45   0.15000  1.0 3.0
   51    42    50    53  -0.09450  1.0 1.0
   51    42    50    53  -1.12950 -1.0 2.0
   51    42    50    53   0.54000  1.0 3.0
   51    42    50    44   0.86500  1.0 1.0
   51    42    50    44  -0.17500 -1.0 2.0
   51    42    50    44   0.20800  1.0 3.0
   51    42    50    55   0.86500  1.0 1.0
   51    42    50    55  -0.17500 -1.0 2.0
   51    42    50    55   0.20800  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
   50    59    53    54  10.50000 -1.0 2.0
   60    63    62    64   1.10000 -1.0 2.0
   65    71    64    62   1.10000 -1.0 2.0
   64    41    65    66   1.10000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   66    70    68    69  10.50000 -1.0 2.0
END
