* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    163    240     480
    1     0 S   NP   _N1_     1    28.84423    96.95251   -21.26161
    2     1 S   H    _HN1     2     1.02788    95.01781   -96.71239
    3     1 S   H    _H1_     3     1.02948    70.84035    11.00804
    4     1 S   H    _H2_     4     1.02831    44.98445   152.92385
    5     1 S   CT   _CA1     5     1.50112   149.69012   108.91973
    6     5 S   HC   _HA1     6     1.09569   105.19243    90.93372
    7     5 S   CO3  _C1_     7     1.53750   112.47836   -29.34079
    8     7 S   O2Z  _O11     8     1.26378   114.99534   -41.80168
    9     7 S   O2Z  _O12     9     1.26231   114.96496   137.38416
   10     5 S   CT   _CB1    10     1.53072   107.43427  -151.01325
   11    10 S   HC   HB11    11     1.09831   109.36611   -48.93627
   12    10 S   HC   HB12    12     1.09814   110.46842    67.69816
   13    10 S   CT   _CG1    13     1.52980   112.61423  -169.88917
   14    13 S   HC   HG11    14     1.09505   110.67754   -65.69695
   15    13 S   HC   HG12    15     1.09673   109.78535    53.48087
   16    13 S   C    _CD1    16     1.51796   112.20292   173.81141
   17    16 S   O    _OE1    17     1.22728   123.28980     5.83109
   18    16 S   N    _N2_    18     1.38628   111.66017  -173.94919
   19    18 S   H    _HN2    19     1.01582   118.91948     0.78708
   20    18 S   CT1  _CA2    20     1.46234   123.40072   176.22322
   21    20 S   HC   _HA2    21     1.09731   109.43439     1.88274
   22    20 S   C    _C2_    22     1.53563   108.43441  -113.54737
   23    22 S   O    _O2_    23     1.23052   122.30925  -147.68867
   24    20 S   CT   _CB2    32     1.53259   111.54193   124.08136
   25    24 S   HC   HB21    33     1.09597   109.78198    54.78595
   26    24 S   HC   HB22    34     1.09432   110.33436   173.79588
   27    22 S   N    _N3_    24     1.38335   113.67430    39.72752
   28    27 S   H    _HN3    25     1.01584   119.58387    -3.24745
   29    24 S   S    _SG2    35     1.82918   111.38341   -66.02888
   30    27 S   CT   _CA3    26     1.45286   123.23535   177.18770
   31    30 S   HC   HA31    27     1.09548   107.50571   -64.80080
   32    30 S   HC   HA32    28     1.09556   107.99622    51.64758
   33    29 S   CT   _C18    36     1.85118    99.70720   173.39149
   34    33 S   HC   _H5_    37     1.08962   101.50974   -34.73699
   35    30 S   CO3  _C3_    29     1.52968   114.05817   173.64594
   36    35 S   O2Z  _O31    30     1.26379   116.05728    -0.69914
   37    35 S   O2Z  _O32    31     1.26425   114.41840   179.36727
   38    33 S   CM   _C12    38     1.53959   113.25232  -152.38618
   39    33 S   CT   _C17    50     1.55252   109.84566    81.13931
   40    39 S   HC   _H18    51     1.09744   107.68053   -31.25327
   41    39 S   HC   _H19    52     1.09898   110.96399    83.56460
   42    38 S   CMA  _C13    39     1.36617   122.39432   155.73411
   43    42 S   OM   _O37    40     1.26610   129.93672   172.81427
   44    38 S   CT   _C11    70     1.52361   118.80200   -24.51138
   45    44 S   HC   _H12    71     1.09556   113.40694  -154.68583
   46    44 S   HC   _H13    72     1.09492   111.45441   -36.02049
   47    42 S   CT   _C14    41     1.54028   118.81456    -7.23497
   48    47 S   HC   _H4_    42     1.08617   113.15519   -21.30068
   49    47 S   CT   _C15    43     1.53651   111.49891    97.39500
   50    49 S   HC   _H14    44     1.09866   108.48617  -173.60021
   51    49 S   HC   _H15    45     1.09822   109.91400    72.39918
   52    47 S   OS   _O35    57     1.46726   113.24629  -139.65552
   53    49 S   CT   _C16    46     1.53835   114.71954   -50.84246
   54    53 S   HC   _H16    47     1.09698   111.15666    69.81278
   55    53 S   HC   _H17    48     1.09910   105.50093  -177.66050
   56    52 S   CO4  _C20    58     1.36304   125.37734    70.47727
   57    56 S   O    _O36    59     1.22841   121.64025  -177.59084
   58    53 S   NT   _N4_    49     1.47705   113.06814   -56.90524
   59    56 S   CM   _C6_    60     1.48613   118.51209     1.69847
   60    58 S   CT   _C19    53     1.46883   109.52623  -133.11480
   61    60 S   HC   _H20    54     1.09594   110.79289   175.98687
   62    60 S   HC   _H21    55     1.09611   110.60912    58.71777
   63    60 S   HC   _H22    56     1.09606   112.01459   -62.63570
   64    59 S   CT   _C7_    61     1.52128   114.43968  -104.72017
   65    64 S   HC   _H10    62     1.09885   107.73385   -70.38964
   66    64 S   HC   _H11    63     1.09306   107.11284    41.90727
   67    59 S   CM   _C5_    83     1.34607   118.69479    78.80042
   68    67 S   HC   _H9_    84     1.08625   118.98641   179.34479
   69    64 S   CT   _C8_    64     1.56043   118.44629   165.43731
   70    69 S   HC   _H3_    65     1.09696   108.83645   -32.15853
   71    67 S   CT   _C4_    85     1.49777   127.76081     0.40974
   72    71 S   HC   _H6_    86     1.09454   109.68943  -119.47897
   73    71 S   HC   _H7_    87     1.09457   109.52469   122.04739
   74    71 S   HC   _H8_    88     1.09283   113.54783     1.60340
   75    69 S   CT   _C9_    66     1.56728   111.92557  -151.20054
   76    69 S   CT   _C22    79     1.53988   109.28384    85.06359
   77    76 S   HC   _H27    80     1.09511   111.42836    70.34026
   78    76 S   HC   _H28    81     1.09354   111.96143   -49.86142
   79    76 S   HC   _H29    82     1.09406   110.94720  -169.13871
   80    75 S   CO4  _C10    67     1.53512   110.93647    61.78546
   81    80 S   O    _O33    68     1.22455   124.07679  -119.44951
   82    75 S   CT   _C21    73     1.53166   113.35809  -176.07829
   83    82 S   HC   _H23    74     1.09454   111.39179    70.24221
   84    82 S   HC   _H24    75     1.09470   111.77158   -52.01700
   85    82 S   HC   _H25    76     1.09676   110.75024  -171.98942
   86    75 S   OH   _O38    77     1.42826   108.46016   -56.34707
   87    86 S   HO   _H26    78     0.97287   107.93607   179.32594
   88    80 S   OS   _O34    69     1.36334   110.08505    58.92263
  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   9   5   4   3
  15   7   2   1   1  15  13   4   3  13   5   7   3   2  12   6
   9   6   5   6   7   3   2   9   3   4  13   3   2   1   1  15
   6   5   6   4  15   8   3   2   1   1  13   6   2   1   1   8
   3   6   3   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    53    58    39    40    41    60    88    44    45    46  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    58    39    40    41    52    80    88    44    45    46  
   40    41    60    61    62    63    44    42    49    53    54    55    58  
   41    60    53    58  
   60    53    58  
   43    47    48    49    50    51    53    52    56    88    44    45    46  
   47    48    49    52    44  
   45    46    47    75    80    81    88  
   46    80    88  
   80    88  
   48    49    50    51    53    54    55    58    52    56    57    59  
   49    50    51    53    52    56  
   50    51    53    54    55    58    60    52    56  
   51    53    54    55    58    52  
   53    54    55    58    52  
   56    57    59    64    67    53  
   54    55    58    60    61    62    63  
   55    58    60  
   58    60  
   57    59    64    65    66    69    67    68    71  
   59    64    67  
   60    61    62    63  
   64    65    66    69    70    75    76    67    68    71    72    73    74  
   61    62    63  
   62    63  
   63  
    0  
   65    66    69    70    75    80    82    86    76    77    78    79    67    68    71  
   66    69    70    75    76    67  
   69    70    75    76    67  
   68    71    72    73    74    69  
   71    72    73    74  
   70    75    80    81    88    82    83    84    85    86    87    76    77    78    79  
   75    80    82    86    76    77    78    79  
   72    73    74  
   73    74  
   74  
    0  
   80    81    88    82    83    84    85    86    87    76    77    78    79  
   77    78    79    80    82    86  
   78    79  
   79  
    0  
   81    88    82    83    84    85    86    87  
   88    82    86  
   83    84    85    86    87    88  
   84    85    86  
   85    86  
   86  
   87    88  
    0  
    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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
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   317.000  1.510
   33    39   268.000  1.529
   38    42   465.000  1.376
   38    44   317.000  1.510
   42    43   745.000  1.250
   42    47   270.000  1.512
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   382.000  1.448
   58    39   382.000  1.448
   58    60   382.000  1.448
   39    40   340.000  1.090
   39    41   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   52    56   214.000  1.327
   56    57   570.000  1.229
   56    59   320.000  1.462
   59    64   317.000  1.510
   59    67   549.000  1.340
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    75   268.000  1.529
   69    76   268.000  1.529
   75    80   317.000  1.522
   75    82   268.000  1.529
   75    86   320.000  1.410
   80    81   570.000  1.229
   80    88   214.000  1.327
   88    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   67    68   340.000  1.080
   67    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    58    56.20000  109.47000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    47    65.00000  122.18000
   38    44    88    85.00000  110.90400
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   42    47    48    45.00000  110.52000
   42    47    49    70.00000  112.02700
   42    47    52    85.00000  110.90400
   47    42    43    85.00000  112.85300
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    52    56    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    58    56.20000  109.47000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    58    39    51.80000  107.20000
   53    58    60    51.80000  107.20000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    39    40    35.00000  109.50000
   58    39    41    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   60    58    39    51.80000  107.20000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    50.00000  109.50000
   52    56    57    83.00000  123.40000
   52    56    59    90.00000  111.29400
   56    59    64    65.00000  116.34900
   56    59    67    65.00000  118.96000
   59    56    57    80.00000  123.72100
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    69    70.00000  112.02700
   59    67    68    35.00000  120.00000
   59    67    71    70.00000  124.00000
   64    69    70    37.50000  110.70000
   64    69    75    58.35000  112.70000
   64    69    76    58.35000  112.70000
   66    64    65    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    37.50000  110.70000
   69    75    80    63.00000  111.10000
   69    75    82    58.35000  112.70000
   69    75    86    50.00000  109.50000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    79    37.50000  110.70000
   75    69    70    37.50000  110.70000
   75    80    81    80.00000  120.40000
   75    80    88    81.00000  111.40000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    85    37.50000  110.70000
   75    86    87    55.00000  108.50000
   80    88    44    83.00000  116.90000
   88    80    81    83.00000  123.40000
   88    44    45    35.00000  109.50000
   88    44    46    35.00000  109.50000
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   82    75    80    63.00000  111.10000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    75    80    90.00000  109.61100
   86    75    82    50.00000  109.50000
   76    69    70    37.50000  110.70000
   76    69    75    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   67    59    64    70.00000  124.00000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   71    67    68    35.00000  117.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    58   0.56750  1.0 1.0
   29    33    39    58  -0.07550 -1.0 2.0
   29    33    39    58   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   33    38    44    88   0.09700  1.0 1.0
   33    38    44    88   0.15600 -1.0 2.0
   33    38    44    88  -0.50800  1.0 3.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    58   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    58   0.59950  1.0 1.0
   38    33    39    58  -0.21400 -1.0 2.0
   38    33    39    58   0.56200  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.09850  1.0 1.0
   38    42    47    49   0.15250 -1.0 2.0
   38    42    47    49  -0.50650  1.0 3.0
   38    42    47    52   0.39000  1.0 1.0
   38    42    47    52  -0.05800 -1.0 2.0
   38    42    47    52  -0.55150  1.0 3.0
   42    38    44    88   0.39000  1.0 1.0
   42    38    44    88  -0.05800 -1.0 2.0
   42    38    44    88  -0.55150  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    47    49    50   0.15000  1.0 3.0
   42    47    49    51   0.15000  1.0 3.0
   42    47    49    53   0.34400  1.0 1.0
   42    47    49    53   0.09450 -1.0 2.0
   42    47    49    53   0.11100  1.0 3.0
   42    47    52    56  -0.82050  1.0 1.0
   42    47    52    56   0.00600 -1.0 2.0
   42    47    52    56   0.04400  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.09700  1.0 1.0
   43    42    47    49   0.15600 -1.0 2.0
   43    42    47    49  -0.50800  1.0 3.0
   43    42    47    52   0.09700  1.0 1.0
   43    42    47    52   0.15600 -1.0 2.0
   43    42    47    52  -0.50800  1.0 3.0
   47    49    53    54   0.15000  1.0 3.0
   47    49    53    55   0.15000  1.0 3.0
   47    49    53    58   1.53400  1.0 1.0
   47    49    53    58  -0.09950 -1.0 2.0
   47    49    53    58   0.05700  1.0 3.0
   47    52    56    57   3.00000 -1.0 2.0
   47    52    56    59   2.00000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    52    56   0.08050  1.0 3.0
   49    47    52    56  -0.25900  1.0 1.0
   49    47    52    56  -0.47000 -1.0 2.0
   49    47    52    56   0.11750  1.0 3.0
   49    53    58    39   0.23450  1.0 1.0
   49    53    58    39   0.02050 -1.0 2.0
   49    53    58    39   0.25250  1.0 3.0
   49    53    58    60   0.23450  1.0 1.0
   49    53    58    60   0.02050 -1.0 2.0
   49    53    58    60   0.25250  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    58   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    58   0.15000  1.0 3.0
   53    58    39    33   0.23450  1.0 1.0
   53    58    39    33   0.02050 -1.0 2.0
   53    58    39    33   0.25250  1.0 3.0
   53    58    39    40   0.28000  1.0 3.0
   53    58    39    41   0.28000  1.0 3.0
   53    58    60    61   0.28000  1.0 3.0
   53    58    60    62   0.28000  1.0 3.0
   53    58    60    63   0.28000  1.0 3.0
   54    53    58    39   0.28000  1.0 3.0
   54    53    58    60   0.28000  1.0 3.0
   55    53    58    39   0.28000  1.0 3.0
   55    53    58    60   0.28000  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   39    58    60    61   0.28000  1.0 3.0
   39    58    60    62   0.28000  1.0 3.0
   39    58    60    63   0.28000  1.0 3.0
   60    58    39    33   0.23450  1.0 1.0
   60    58    39    33   0.02050 -1.0 2.0
   60    58    39    33   0.25250  1.0 3.0
   60    58    39    40   0.28000  1.0 3.0
   60    58    39    41   0.28000  1.0 3.0
   52    47    49    50   0.23400  1.0 3.0
   52    47    49    51   0.23400  1.0 3.0
   52    47    49    53   0.62750  1.0 1.0
   52    47    49    53  -0.30950 -1.0 2.0
   52    47    49    53   0.27300  1.0 3.0
   52    56    59    64  -0.15000  1.0 1.0
   52    56    59    64   0.89550 -1.0 2.0
   52    56    59    64  -0.06900  1.0 3.0
   52    56    59    67  -0.56150  1.0 1.0
   52    56    59    67   2.19150 -1.0 2.0
   56    59    64    65   0.15000  1.0 3.0
   56    59    64    66   0.15000  1.0 3.0
   56    59    64    69   0.09700  1.0 1.0
   56    59    64    69   0.15600 -1.0 2.0
   56    59    64    69  -0.50800  1.0 3.0
   56    59    67    68   7.00000 -1.0 2.0
   56    59    67    71   7.00000 -1.0 2.0
   57    56    59    64  -0.64400  1.0 1.0
   57    56    59    64   0.26850 -1.0 2.0
   57    56    59    67   1.00000 -1.0 2.0
   59    64    69    70   0.15000  1.0 3.0
   59    64    69    75   0.34400  1.0 1.0
   59    64    69    75   0.09450 -1.0 2.0
   59    64    69    75   0.11100  1.0 3.0
   59    64    69    76   0.34400  1.0 1.0
   59    64    69    76   0.09450 -1.0 2.0
   59    64    69    76   0.11100  1.0 3.0
   59    67    71    72   0.00000  1.0 1.0
   59    67    71    73   0.00000  1.0 1.0
   59    67    71    74   0.00000  1.0 1.0
   64    59    67    68   7.00000 -1.0 2.0
   64    59    67    71   7.00000 -1.0 2.0
   64    69    75    80  -0.95700  1.0 1.0
   64    69    75    80  -0.18200 -1.0 2.0
   64    69    75    80   0.29450  1.0 3.0
   64    69    75    82   0.56750  1.0 1.0
   64    69    75    82  -0.07550 -1.0 2.0
   64    69    75    82   0.20000  1.0 3.0
   64    69    75    86   0.86500  1.0 1.0
   64    69    75    86  -0.17500 -1.0 2.0
   64    69    75    86   0.20800  1.0 3.0
   64    69    76    77   0.15000  1.0 3.0
   64    69    76    78   0.15000  1.0 3.0
   64    69    76    79   0.15000  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    75   0.15000  1.0 3.0
   65    64    69    76   0.15000  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    75   0.15000  1.0 3.0
   66    64    69    76   0.15000  1.0 3.0
   69    75    80    81   0.30150 -1.0 2.0
   69    75    80    88   0.36750  1.0 3.0
   69    75    82    83   0.15000  1.0 3.0
   69    75    82    84   0.15000  1.0 3.0
   69    75    82    85   0.15000  1.0 3.0
   69    75    86    87  -0.11600  1.0 1.0
   69    75    86    87  -0.09450 -1.0 2.0
   69    75    86    87   0.21250  1.0 3.0
   70    69    75    80  -0.11250  1.0 3.0
   70    69    75    82   0.15000  1.0 3.0
   70    69    75    86   0.23400  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    78   0.15000  1.0 3.0
   70    69    76    79   0.15000  1.0 3.0
   75    69    76    77   0.15000  1.0 3.0
   75    69    76    78   0.15000  1.0 3.0
   75    69    76    79   0.15000  1.0 3.0
   75    80    88    44   1.63150  1.0 1.0
   75    80    88    44   2.92000 -1.0 2.0
   80    75    82    83  -0.11250  1.0 3.0
   80    75    82    84  -0.11250  1.0 3.0
   80    75    82    85  -0.11250  1.0 3.0
   80    75    86    87   0.91850  1.0 1.0
   80    75    86    87   0.57950  1.0 3.0
   80    88    44    38  -0.82050  1.0 1.0
   80    88    44    38   0.00600 -1.0 2.0
   80    88    44    38   0.04400  1.0 3.0
   80    88    44    45   0.08050  1.0 3.0
   80    88    44    46   0.08050  1.0 3.0
   81    80    88    44   3.00000 -1.0 2.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    47   7.00000 -1.0 2.0
   82    75    80    81   0.30150 -1.0 2.0
   82    75    80    88   0.36750  1.0 3.0
   82    75    86    87  -0.11600  1.0 1.0
   82    75    86    87  -0.09450 -1.0 2.0
   82    75    86    87   0.21250  1.0 3.0
   86    75    80    81   0.30150 -1.0 2.0
   86    75    80    88   0.30750  1.0 1.0
   86    75    80    88   1.13850 -1.0 2.0
   86    75    80    88   0.38850  1.0 3.0
   86    75    82    83   0.23400  1.0 3.0
   86    75    82    84   0.23400  1.0 3.0
   86    75    82    85   0.23400  1.0 3.0
   76    69    75    80  -0.95700  1.0 1.0
   76    69    75    80  -0.18200 -1.0 2.0
   76    69    75    80   0.29450  1.0 3.0
   76    69    75    82   0.56750  1.0 1.0
   76    69    75    82  -0.07550 -1.0 2.0
   76    69    75    82   0.20000  1.0 3.0
   76    69    75    86   0.86500  1.0 1.0
   76    69    75    86  -0.17500 -1.0 2.0
   76    69    75    86   0.20800  1.0 3.0
   67    59    64    65   0.00000  1.0 1.0
   67    59    64    66   0.00000  1.0 1.0
   67    59    64    69   0.09850  1.0 1.0
   67    59    64    69   0.15250 -1.0 2.0
   67    59    64    69  -0.50650  1.0 3.0
   68    67    71    72   0.33100  1.0 3.0
   68    67    71    73   0.33100  1.0 3.0
   68    67    71    74   0.33100  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
   33    44    38    42   1.10000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   52    59    56    57  10.50000 -1.0 2.0
   56    64    59    67   1.10000 -1.0 2.0
   75    88    80    81  10.50000 -1.0 2.0
   71    68    67    59   1.10000 -1.0 2.0
END
