* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    159    269     474
    1     0 S   NP   _N1_     1    28.68022    96.42088   -23.20585
    2     1 S   H    _HN1     2     1.02786   102.72484   -90.61095
    3     1 S   H    _H1_     3     1.02950    72.23968    14.85695
    4     1 S   H    _H2_     4     1.02831    39.18607   166.61437
    5     1 S   CT   _CA1     5     1.50110   141.13115   115.58745
    6     5 S   HC   _HA1     6     1.09573   105.20353    90.91077
    7     5 S   CO3  _C1_     7     1.53787   112.45425   -29.34126
    8     7 S   O2Z  _O11     8     1.26371   115.00595   -42.86451
    9     7 S   O2Z  _O12     9     1.26239   114.94583   136.29219
   10     5 S   CT   _CB1    10     1.53082   107.42823  -151.09973
   11    10 S   HC   HB11    11     1.09832   109.38308   -49.77560
   12    10 S   HC   HB12    12     1.09813   110.44258    66.83299
   13    10 S   CT   _CG1    13     1.52992   112.60195  -170.75524
   14    13 S   HC   HG11    14     1.09583   110.62450   -65.32387
   15    13 S   HC   HG12    15     1.09669   109.79526    53.90831
   16    13 S   C    _CD1    16     1.51800   112.23654   174.36995
   17    16 S   O    _OE1    17     1.22730   123.28823     6.45078
   18    16 S   N    _N2_    18     1.38657   111.66585  -173.66748
   19    18 S   H    _HN2    19     1.01584   118.93250     1.86991
   20    18 S   CT1  _CA2    20     1.46199   123.38886   177.56908
   21    20 S   HC   _HA2    21     1.09736   109.36250     2.32633
   22    20 S   C    _C2_    22     1.53557   108.63890  -113.15466
   23    22 S   O    _O2_    23     1.23059   122.26911  -148.16298
   24    20 S   CT   _CB2    32     1.53368   111.57446   124.33251
   25    24 S   HC   HB21    33     1.09579   110.01441    56.12123
   26    24 S   HC   HB22    34     1.09415   109.96808   175.17322
   27    22 S   N    _N3_    24     1.38326   113.71276    39.29863
   28    27 S   H    _HN3    25     1.01585   119.58228    -3.36790
   29    24 S   S    _SG2    35     1.82837   111.46547   -64.85032
   30    27 S   CT   _CA3    26     1.45289   123.21864   177.10930
   31    30 S   HC   HA31    27     1.09549   107.50834   -64.61005
   32    30 S   HC   HA32    28     1.09557   107.98802    51.83084
   33    29 S   CT   _C17    36     1.84653    99.87972   171.09164
   34    33 S   HC   _H7_    37     1.09380   105.66783   -44.94119
   35    30 S   CO3  _C3_    29     1.52961   114.07277   173.82118
   36    35 S   O2Z  _O31    30     1.26378   116.05792    -0.87871
   37    35 S   O2Z  _O32    31     1.26428   114.41551   179.18627
   38    33 S   CT   _C16    38     1.53345   110.38494    74.95530
   39    38 S   HC   _H22    39     1.09597   108.78220   -60.17644
   40    38 S   HC   _H23    40     1.09574   111.60417    57.40322
   41    33 S   CT   _C18    74     1.53701   108.43092  -162.47158
   42    41 S   HC   _H8_    75     1.09498   108.40683   -45.65739
   43    38 S   NT   _N4_    41     1.45960   108.58025  -178.11726
   44    41 S   OH   _O33    76     1.42787   110.49032    70.88288
   45    44 S   HO   _H24    77     0.97323   107.17300   -53.71654
   46    43 S   CT   _C15    42     1.47430   114.56786   165.21810
   47    46 S   HC   _H20    43     1.09717   110.23892   -41.43884
   48    46 S   HC   _H21    44     1.09700   108.18158  -155.12856
   49    46 S   CT   _C14    45     1.53496   116.26782    83.69898
   50    49 S   HC   _H18    46     1.09732   109.28720   -73.83666
   51    49 S   HC   _H19    47     1.09594   109.59381   169.43029
   52    49 S   CT   _C13    48     1.53382   112.03937    47.67098
   53    52 S   HC   _H16    49     1.09588   110.37082    66.73304
   54    52 S   HC   _H17    50     1.09553   109.51202  -174.92287
   55    52 S   CT   _C12    51     1.52151   107.10695   -54.69406
   56    55 S   HC   _H6_    52     1.09965   106.04793   -54.17483
   57    55 S   CT   _C11    53     1.53646   116.19448  -168.63528
   58    57 S   HC   _H5_    54     1.09494   111.16773    51.22826
   59    57 S   CT   _C10    55     1.51795   108.82277   173.80097
   60    59 S   HC   _H14    56     1.09191   113.39237   -47.67675
   61    59 S   HC   _H15    57     1.09812   110.19892  -168.79948
   62    59 S   CT   _C9_    58     1.52106    99.04984    75.79175
   63    62 S   HC   _H4_    59     1.09431   111.49552   160.93353
   64    62 S   CO4  _C19    60     1.51642    96.82812    46.13998
   65    64 S   O    _O35    61     1.22013   126.50158   148.11730
   66    62 S   C4T  _C8_    63     1.58128   110.69457   -73.87102
   67    57 S   OS   _O34    62     1.42878   113.27950   -72.32344
   68    66 S   C4T  _C5_    64     1.58758   110.69468   150.98961
   69    68 S   HC   _H3_    65     1.09850   112.40689    19.61658
   70    43 S   C4T  _C7_    69     1.48378   113.09127   -66.29302
   71    68 S   C4T  _C6_    66     1.55383    88.47925   -94.31310
   72    71 S   HC   _H12    67     1.09394   114.40840   100.63143
   73    71 S   HC   _H13    68     1.09644   114.47311  -138.26162
   74    68 S   CT   _C4_    70     1.52397   123.52510   147.54130
   75    74 S   HC   _H9_    71     1.09224   112.78923    58.20873
   76    74 S   HC   _H10    72     1.09376   110.96376   -63.98082
   77    74 S   HC   _H11    73     1.09575   109.97172   177.43753
  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
  14   8   2   1   1  14   5   4  15   6  17   5   1  12   6   5
   9   5   4  11   5   4  15   7  12   7  10   6   5  10   6   5
   2  11   1   9   8   4   6   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    43    66    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    62    66    68    70    41    42    44    45  
   38    39    40    43    66    41    42    44  
   36    37  
   37  
    0  
   39    40    43    46    47    48    49    55    66    71    70    41    42    44  
   40    43    46    70    41  
   43    46    70    41  
   42    44    45    43    55    59    62    63    64    66    68    69    70    71    74  
   44    45    62    66    68    70  
   46    47    48    49    50    51    52    55    56    57    62    66    68    71    72    73    70  
   45    62    66    68    70  
   66  
   47    48    49    50    51    52    53    54    55    66    71    70  
   48    49    50    51    52    70  
   49    50    51    52    70  
   50    51    52    53    54    55    56    57    70  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59    67    66    71    70  
   54    55    56    57    70  
   55    56    57    70  
   56    57    58    59    60    61    62    64    67    66    68    71    72    73    70  
   57    58    59    67    66    71    70  
   58    59    60    61    62    63    64    65    67    66    71    70  
   59    60    61    62    64    67    70  
   60    61    62    63    64    65    67    66    68    70  
   61    62    63    64    67    66  
   62    63    64    67    66  
   63    64    65    67    66    68    69    71    70    74  
   64    65    67    66    68    70  
   65    67    66    68    70  
   67    66  
   68    69    71    72    73    70    74    75    76    77    67  
   70  
   69    71    72    73    70    74    75    76    77  
   71    72    73    70    74    75    76    77  
   74    71    72    73  
   72    73    74    75    76    77  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    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   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   340.000  1.090
   38    40   340.000  1.090
   38    43   382.000  1.448
   43    46   382.000  1.448
   43    70   305.000  1.456
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    70   260.000  1.519
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    67   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   317.000  1.522
   62    66   260.000  1.519
   64    65   570.000  1.229
   64    67   214.000  1.327
   66    68   268.000  1.529
   66    70   268.000  1.529
   66    41   260.000  1.519
   68    69   340.000  1.090
   68    71   268.000  1.529
   68    74   260.000  1.519
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    70   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   41    42   340.000  1.090
   41    44   320.000  1.410
   44    45   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    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    56.20000  109.47000
   33    41    66    70.00000  112.98000
   33    41    42    37.50000  110.70000
   33    41    44    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    46    51.80000  107.20000
   38    43    70    51.80000  107.20000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    56.20000  109.47000
   43    70    55    56.20000  109.47000
   43    70    66    65.00000  120.10000
   43    70    71    65.00000  120.10000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    70    70.00000  112.98000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    58.35000  112.70000
   55    57    67    50.00000  109.50000
   55    70    66    65.00000  119.52000
   55    70    71    65.00000  119.52000
   57    55    56    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    62    58.35000  112.70000
   57    67    64    83.00000  116.90000
   59    57    58    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    63.00000  111.10000
   59    62    66    70.00000  112.98000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    64    65    80.00000  120.40000
   62    64    67    81.00000  111.40000
   62    66    68    65.00000  119.52000
   62    66    70    65.00000  119.52000
   62    66    41    58.35000  112.70000
   64    62    63    35.00000  109.50000
   67    57    58    35.00000  109.50000
   67    57    59    50.00000  109.50000
   67    64    65    83.00000  123.40000
   66    62    63    45.00000  111.22300
   66    62    64    63.00000  111.10000
   66    68    69    37.50000  110.70000
   66    68    71    63.00000   92.00000
   66    68    74    65.00000  119.52000
   66    70    71    63.00000   92.00000
   66    41    42    45.00000  111.22300
   66    41    44    50.00000  109.50000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    70    63.00000   92.00000
   68    74    75    45.00000  111.22300
   68    74    76    45.00000  111.22300
   68    74    77    45.00000  111.22300
   71    68    69    37.50000  110.70000
   73    71    72    33.00000  107.80000
   70    43    46    51.80000  107.20000
   70    55    56    45.00000  111.22300
   70    55    57    70.00000  112.98000
   70    66    68    63.00000   92.00000
   70    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   74    68    69    45.00000  112.72800
   74    68    71    65.00000  119.52000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    66    68    65.00000  119.52000
   41    66    70    65.00000  119.52000
   41    44    45    55.00000  108.50000
   44    41    42    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    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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    66   0.44750  1.0 1.0
   29    33    41    66  -0.17800 -1.0 2.0
   29    33    41    66   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44   0.56750  1.0 1.0
   29    33    41    44  -0.07550 -1.0 2.0
   29    33    41    44   0.20000  1.0 3.0
   33    38    43    46   0.23450  1.0 1.0
   33    38    43    46   0.02050 -1.0 2.0
   33    38    43    46   0.25250  1.0 3.0
   33    38    43    70   0.23450  1.0 1.0
   33    38    43    70   0.02050 -1.0 2.0
   33    38    43    70   0.25250  1.0 3.0
   33    41    44    45  -0.11600  1.0 1.0
   33    41    44    45  -0.09450 -1.0 2.0
   33    41    44    45   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    43   0.15000  1.0 3.0
   34    33    41    66   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    44   0.23400  1.0 3.0
   38    33    41    66   0.31550 -1.0 2.0
   38    33    41    66   0.11250  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    44   0.86500  1.0 1.0
   38    33    41    44  -0.17500 -1.0 2.0
   38    33    41    44   0.20800  1.0 3.0
   38    43    46    47   0.28000  1.0 3.0
   38    43    46    48   0.28000  1.0 3.0
   38    43    46    49   0.23450  1.0 1.0
   38    43    46    49   0.02050 -1.0 2.0
   38    43    46    49   0.25250  1.0 3.0
   38    43    70    55   0.23450  1.0 1.0
   38    43    70    55   0.02050 -1.0 2.0
   38    43    70    55   0.25250  1.0 3.0
   38    43   -70    66   0.23450  1.0 1.0
   38    43   -70    66   0.02050 -1.0 2.0
   38    43   -70    66   0.25250  1.0 3.0
   38    43    70    71   0.23450  1.0 1.0
   38    43    70    71   0.02050 -1.0 2.0
   38    43    70    71   0.25250  1.0 3.0
   39    38    43    46   0.28000  1.0 3.0
   39    38    43    70   0.28000  1.0 3.0
   40    38    43    46   0.28000  1.0 3.0
   40    38    43    70   0.28000  1.0 3.0
   43    46    49    50   0.15000  1.0 3.0
   43    46    49    51   0.15000  1.0 3.0
   43    46    49    52   1.53400  1.0 1.0
   43    46    49    52  -0.09950 -1.0 2.0
   43    46    49    52   0.05700  1.0 3.0
   46    43    70    55   0.23450  1.0 1.0
   46    43    70    55   0.02050 -1.0 2.0
   46    43    70    55   0.25250  1.0 3.0
   46    43    70    66   0.23450  1.0 1.0
   46    43    70    66   0.02050 -1.0 2.0
   46    43    70    66   0.25250  1.0 3.0
   46    43    70    71   0.23450  1.0 1.0
   46    43    70    71   0.02050 -1.0 2.0
   46    43    70    71   0.25250  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.15000  1.0 3.0
   46    49   -52    55   0.56750  1.0 1.0
   46    49   -52    55  -0.07550 -1.0 2.0
   46    49   -52    55   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.56750  1.0 1.0
   49    52    55    57  -0.07550 -1.0 2.0
   49    52    55    57   0.20000  1.0 3.0
   49    52    55    70   0.31550 -1.0 2.0
   49    52    55    70   0.11250  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    59   0.56750  1.0 1.0
   52    55    57    59  -0.07550 -1.0 2.0
   52    55    57    59   0.20000  1.0 3.0
   52    55    57    67   0.62750  1.0 1.0
   52    55    57    67  -0.30950 -1.0 2.0
   52    55    57    67   0.27300  1.0 3.0
   52    55   -70    43   1.53400  1.0 1.0
   52    55   -70    43  -0.09950 -1.0 2.0
   52    55   -70    43   0.05700  1.0 3.0
   52    55    70    66   0.04050  1.0 1.0
   52    55    70    66   0.63700 -1.0 2.0
   52    55    70    66   0.17650  1.0 3.0
   52    55    70    71   0.04050  1.0 1.0
   52    55    70    71   0.63700 -1.0 2.0
   52    55    70    71   0.17650  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    70   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    70   0.15000  1.0 3.0
   55    57    59    60   0.15000  1.0 3.0
   55    57    59    61   0.15000  1.0 3.0
   55    57    59    62   0.56750  1.0 1.0
   55    57    59    62  -0.07550 -1.0 2.0
   55    57    59    62   0.20000  1.0 3.0
   55    57    67    64  -0.25900  1.0 1.0
   55    57    67    64  -0.47000 -1.0 2.0
   55    57    67    64   0.11750  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    67   0.23400  1.0 3.0
   56    55    70    43   0.15000  1.0 3.0
   56    55    70    66   0.00000  1.0 1.0
   56    55    70    71   0.00000  1.0 1.0
   57    55    70    43   1.53400  1.0 1.0
   57    55    70    43  -0.09950 -1.0 2.0
   57    55    70    43   0.05700  1.0 3.0
   57    55    70    66   0.04050  1.0 1.0
   57    55    70    66   0.63700 -1.0 2.0
   57    55    70    66   0.17650  1.0 3.0
   57    55    70    71   0.04050  1.0 1.0
   57    55    70    71   0.63700 -1.0 2.0
   57    55    70    71   0.17650  1.0 3.0
   57    59    62    63   0.15000  1.0 3.0
   57    59   -62    64  -0.95700  1.0 1.0
   57    59   -62    64  -0.18200 -1.0 2.0
   57    59   -62    64   0.29450  1.0 3.0
   57    59   -62    66   0.31550 -1.0 2.0
   57    59   -62    66   0.11250  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    67    64   0.08050  1.0 3.0
   59    57   -67    64  -0.25900  1.0 1.0
   59    57   -67    64  -0.47000 -1.0 2.0
   59    57   -67    64   0.11750  1.0 3.0
   59    62    64    65   0.30150 -1.0 2.0
   59    62   -64    67   0.36750  1.0 3.0
   59    62    66    68   0.04050  1.0 1.0
   59    62    66    68   0.63700 -1.0 2.0
   59    62    66    68   0.17650  1.0 3.0
   59    62    66    70   0.04050  1.0 1.0
   59    62    66    70   0.63700 -1.0 2.0
   59    62    66    70   0.17650  1.0 3.0
   59    62    66    41   0.56750  1.0 1.0
   59    62    66    41  -0.07550 -1.0 2.0
   59    62    66    41   0.20000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64  -0.11250  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64  -0.11250  1.0 3.0
   61    59    62    66   0.15000  1.0 3.0
   62    64   -67    57   1.63150  1.0 1.0
   62    64   -67    57   2.92000 -1.0 2.0
   62    66    68    69   0.15000  1.0 3.0
   62    66    68    71  -0.70950  1.0 1.0
   62    66    68    71   0.38400 -1.0 2.0
   62    66    68    74   0.56750  1.0 1.0
   62    66    68    74  -0.07550 -1.0 2.0
   62    66    68    74   0.20000  1.0 3.0
   62    66    70    43   1.53400  1.0 1.0
   62    66    70    43  -0.09950 -1.0 2.0
   62    66    70    43   0.05700  1.0 3.0
   62    66   -70    55   0.56750  1.0 1.0
   62    66   -70    55  -0.07550 -1.0 2.0
   62    66   -70    55   0.20000  1.0 3.0
   62    66   -70    71  -0.70950  1.0 1.0
   62    66   -70    71   0.38400 -1.0 2.0
   62    66    41    33   0.56750  1.0 1.0
   62    66    41    33  -0.07550 -1.0 2.0
   62    66    41    33   0.20000  1.0 3.0
   62    66    41    42   0.15000  1.0 3.0
   62    66    41    44   0.86500  1.0 1.0
   62    66    41    44  -0.17500 -1.0 2.0
   62    66    41    44   0.20800  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    67   0.00000  1.0 1.0
   63    62    66    68   0.00000  1.0 1.0
   63    62    66    70   0.00000  1.0 1.0
   63    62    66    41   0.15000  1.0 3.0
   64    62    66    68  -0.95700  1.0 1.0
   64    62    66    68  -0.18200 -1.0 2.0
   64    62    66    68   0.29450  1.0 3.0
   64    62    66    70  -0.95700  1.0 1.0
   64    62    66    70  -0.18200 -1.0 2.0
   64    62    66    70   0.29450  1.0 3.0
   64    62    66    41  -0.95700  1.0 1.0
   64    62    66    41  -0.18200 -1.0 2.0
   64    62    66    41   0.29450  1.0 3.0
   65    64    67    57   3.00000 -1.0 2.0
   67    57    59    60   0.23400  1.0 3.0
   67    57    59    61   0.23400  1.0 3.0
   67    57   -59    62   0.62750  1.0 1.0
   67    57   -59    62  -0.30950 -1.0 2.0
   67    57   -59    62   0.27300  1.0 3.0
   66    62    64    65   0.30150 -1.0 2.0
   66    62    64    67   0.36750  1.0 3.0
   66    68    71    72   0.15000  1.0 3.0
   66    68    71    73   0.15000  1.0 3.0
   66    68   -71    70   0.00000  1.0 1.0
   66    68    74    75   0.00000  1.0 1.0
   66    68    74    76   0.00000  1.0 1.0
   66    68    74    77   0.00000  1.0 1.0
   66    41    44    45  -0.11600  1.0 1.0
   66    41    44    45  -0.09450 -1.0 2.0
   66    41    44    45   0.21250  1.0 3.0
   68    66    70    43   1.53400  1.0 1.0
   68    66    70    43  -0.09950 -1.0 2.0
   68    66    70    43   0.05700  1.0 3.0
   68    66    70    55  -0.70950  1.0 1.0
   68    66    70    55   0.38400 -1.0 2.0
   68    66   -70    71   0.00000  1.0 1.0
   68    66    41    33   0.04050  1.0 1.0
   68    66    41    33   0.63700 -1.0 2.0
   68    66    41    33   0.17650  1.0 3.0
   68    66    41    42   0.00000  1.0 1.0
   68    66    41    44   0.86500  1.0 1.0
   68    66    41    44  -0.17500 -1.0 2.0
   68    66    41    44   0.20800  1.0 3.0
   68    71   -70    43   1.53400  1.0 1.0
   68    71   -70    43  -0.09950 -1.0 2.0
   68    71   -70    43   0.05700  1.0 3.0
   68    71   -70    55  -0.70950  1.0 1.0
   68    71   -70    55   0.38400 -1.0 2.0
   68    71   -70    66   0.00000  1.0 1.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    70   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    77   0.15000  1.0 3.0
   71    68    74    75   0.00000  1.0 1.0
   71    68    74    76   0.00000  1.0 1.0
   71    68    74    77   0.00000  1.0 1.0
   72    71    70    43   0.15000  1.0 3.0
   72    71    70    55   0.15000  1.0 3.0
   72    71   -70    66   0.15000  1.0 3.0
   73    71    70    43   0.15000  1.0 3.0
   73    71    70    55   0.15000  1.0 3.0
   73    71   -70    66   0.15000  1.0 3.0
   70    43    46    47   0.28000  1.0 3.0
   70    43    46    48   0.28000  1.0 3.0
   70    43   -46    49   0.23450  1.0 1.0
   70    43   -46    49   0.02050 -1.0 2.0
   70    43   -46    49   0.25250  1.0 3.0
   70    55    57    58   0.15000  1.0 3.0
   70    55   -57    59   0.31550 -1.0 2.0
   70    55   -57    59   0.11250  1.0 3.0
   70    55    57    67   0.62750  1.0 1.0
   70    55    57    67  -0.30950 -1.0 2.0
   70    55    57    67   0.27300  1.0 3.0
   70    66   -68    69   0.15000  1.0 3.0
   70    66   -68    71   0.00000  1.0 1.0
   70    66    68    74  -0.70950  1.0 1.0
   70    66    68    74   0.38400 -1.0 2.0
   70    66   -41    33   0.04050  1.0 1.0
   70    66   -41    33   0.63700 -1.0 2.0
   70    66   -41    33   0.17650  1.0 3.0
   70    66    41    42   0.00000  1.0 1.0
   70    66    41    44   0.86500  1.0 1.0
   70    66    41    44  -0.17500 -1.0 2.0
   70    66    41    44   0.20800  1.0 3.0
   74    68    71    72   0.15000  1.0 3.0
   74    68    71    73   0.15000  1.0 3.0
   74    68   -71    70  -0.70950  1.0 1.0
   74    68   -71    70   0.38400 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   1.53400  1.0 1.0
   41    33    38    43  -0.09950 -1.0 2.0
   41    33    38    43   0.05700  1.0 3.0
   41    66    68    69   0.15000  1.0 3.0
   41    66    68    71  -0.70950  1.0 1.0
   41    66    68    71   0.38400 -1.0 2.0
   41    66    68    74   0.56750  1.0 1.0
   41    66    68    74  -0.07550 -1.0 2.0
   41    66    68    74   0.20000  1.0 3.0
   41    66   -70    43   1.53400  1.0 1.0
   41    66   -70    43  -0.09950 -1.0 2.0
   41    66   -70    43   0.05700  1.0 3.0
   41    66    70    55   0.56750  1.0 1.0
   41    66    70    55  -0.07550 -1.0 2.0
   41    66    70    55   0.20000  1.0 3.0
   41    66   -70    71  -0.70950  1.0 1.0
   41    66   -70    71   0.38400 -1.0 2.0
   42    41    44    45   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
   62    67    64    65  10.50000 -1.0 2.0
END
