* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    158    247     470
    1     0 S   NP   _N1_     1    28.67549    96.44059   -24.48036
    2     1 S   H    _HN1     2     1.02828    40.78944  -177.05556
    3     1 S   H    _H1_     3     1.02787   111.33848   -84.06560
    4     1 S   H    _H2_     4     1.02948    67.48929    17.72900
    5     1 S   CT   _CA1     5     1.50118   134.24142   114.79338
    6     5 S   HC   _HA1     6     1.09573   105.18231    99.66836
    7     5 S   CO3  _C1_     7     1.53783   112.48336   -20.54974
    8     7 S   O2Z  _O11     8     1.26373   115.00615   -42.04064
    9     7 S   O2Z  _O12     9     1.26241   114.94619   137.07051
   10     5 S   CT   _CB1    10     1.53075   107.41694  -142.34899
   11    10 S   HC   HB11    11     1.09834   109.35255   -49.61507
   12    10 S   HC   HB12    12     1.09812   110.45527    66.99077
   13    10 S   CT   _CG1    13     1.52996   112.61750  -170.58447
   14    13 S   HC   HG11    14     1.09578   110.65337   -66.25887
   15    13 S   HC   HG12    15     1.09672   109.75903    52.97373
   16    13 S   C    _CD1    16     1.51805   112.18918   173.42812
   17    16 S   O    _OE1    17     1.22733   123.26218     8.24945
   18    16 S   N    _N2_    18     1.38642   111.69296  -171.77307
   19    18 S   H    _HN2    19     1.01575   118.93801     1.55721
   20    18 S   CT1  _CA2    20     1.46164   123.41240   177.28711
   21    20 S   HC   _HA2    21     1.09731   109.35749     5.07767
   22    20 S   C    _C2_    22     1.53649   108.92291  -110.53397
   23    22 S   O    _O2_    23     1.23089   122.28101  -148.88649
   24    20 S   CT   _CB2    32     1.53153   111.48763   127.12835
   25    24 S   HC   HB21    33     1.09547   110.19169    55.83429
   26    24 S   HC   HB22    34     1.09518   109.98831   174.78023
   27    22 S   N    _N3_    24     1.38304   113.79197    38.59337
   28    27 S   H    _HN3    25     1.01568   119.60483    -3.29015
   29    24 S   S    _SG2    35     1.82715   111.94942   -65.69362
   30    27 S   CT   _CA3    26     1.45283   123.21843   177.12098
   31    30 S   HC   HA31    27     1.09550   107.51244   -64.44365
   32    30 S   HC   HA32    28     1.09557   107.98625    51.99537
   33    29 S   CT   _C7_    36     1.84113    98.70142   179.86730
   34    33 S   HC   _H3_    37     1.09273   106.86409    30.87406
   35    30 S   CO3  _C3_    29     1.52963   114.06527   173.97888
   36    35 S   O2Z  _O31    30     1.26378   116.06956    -1.11047
   37    35 S   O2Z  _O32    31     1.26426   114.41556   178.95245
   38    33 S   CM   _C6_    38     1.51377   107.87435   148.78812
   39    38 S   HC   _H10    39     1.08966   115.42738    79.60220
   40    33 S   CT   _C8_    78     1.53907   110.97582   -86.67550
   41    40 S   HC   _H4_    79     1.09742   109.64899    54.56308
   42    38 S   CM   _C5_    40     1.34592   127.07449  -103.06065
   43    40 S   CO3  _C9_    80     1.54403   115.22501   173.46031
   44    43 S   O2Z  _O34    81     1.26604   114.47616   161.08368
   45    43 S   O2Z  _O33    82     1.26173   116.32769   -20.39260
   46    40 S   OH   _O35    83     1.43387   110.77057   -63.19020
   47    46 S   HO   _H11    84     0.97459   106.72566  -169.25598
   48    42 S   CO4  _C10    41     1.49251   119.95217     5.21387
   49    48 S   O    _O36    42     1.22987   120.10656    59.83493
   50    42 S   CT   _C4_    74     1.49579   123.58525  -177.28070
   51    50 S   HC   _H7_    75     1.09458   110.62378   114.44316
   52    50 S   HC   _H8_    76     1.09511   111.91191    -5.65901
   53    50 S   HC   _H9_    77     1.09498   110.43162  -125.44304
   54    48 S   CT   _C11    43     1.52003   117.18664  -122.10604
   55    54 S   HC   _H12    44     1.09599   107.13284   -85.80285
   56    54 S   HC   _H13    45     1.09478   109.61494    31.30074
   57    54 S   CT   _C12    46     1.53520   112.05137   154.48985
   58    57 S   HC   _H14    47     1.09473   108.45659    50.02379
   59    57 S   HC   _H15    48     1.09705   108.77868   165.04618
   60    57 S   CT   _C13    49     1.54203   112.41104   -72.80377
   61    60 S   HC   _H5_    50     1.09174   109.11555    35.25127
   62    60 S   CO4  _C21    51     1.54203   111.49119   -83.31296
   63    62 S   O    _O38    52     1.23216   122.36325    13.04303
   64    62 S   CT   _C20    53     1.52556   117.58409  -171.29638
   65    64 S   HC   _H22    54     1.09582   108.48774   165.48664
   66    64 S   HC   _H23    55     1.09468   107.78859   -78.61210
   67    64 S   CT   _C19    56     1.53147   113.16377    44.37022
   68    67 S   HC   _H20    57     1.09814   109.24899    73.12377
   69    67 S   HC   _H21    58     1.09667   109.79677  -171.11710
   70    67 S   CT   _C18    59     1.52618   111.00826   -48.15090
   71    70 S   CO4  _C17    60     1.51757   116.07526   168.05258
   72    71 S   O    _O37    61     1.22396   124.68808    40.75805
   73    70 S   CT   _C22    70     1.53967   111.45418   -69.65716
   74    73 S   HC   _H24    71     1.09290   112.95439    60.97437
   75    73 S   HC   _H25    72     1.09679   110.19045   -58.90030
   76    73 S   HC   _H26    73     1.09478   112.33509  -177.25640
   77    71 S   CT   _C16    62     1.51695   111.42556  -140.51457
   78    77 S   HC   _H18    63     1.09375   108.83892   118.30502
   79    77 S   HC   _H19    64     1.09210   111.07372  -119.29506
   80    77 S   CT   _C15    65     1.53473   103.02595     0.32203
   81    80 S   HC   _H16    66     1.09402   110.54489   147.18916
   82    80 S   HC   _H17    67     1.09546   111.03783   -93.37696
   83    60 S   CT   _C14    68     1.53069   112.54956   157.47572
   84    83 S   HC   _H6_    69     1.10387   106.97461    63.04296
  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
  13   7   2   1   1  13   4   7   5  10   4   2   1   1   1  12
   5   4   2   1   1   9   5   4  11   5   4  16   7  11   5   9
   5   4  13   5   4  14  13   6   7   3   2   1   7   5   4   4
   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    48    50    40    41    43    44    45    46    47  
   38    39    42    40    41    43    46  
   36    37  
   37  
    0  
   39    42    48    49    54    50    51    52    53    40    41    43    46  
   42    48    50    40  
   41    43    44    45    46    47    42  
   43    44    45    46    47  
   48    49    54    55    56    57    50    51    52    53  
   44    45    46    47  
   45    46  
   46  
   47  
    0  
   49    54    55    56    57    58    59    60    50    51    52    53  
   54    55    56    57    50  
   51    52    53    54  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61    62    83  
   56    57    58    59    60  
   57    58    59    60  
   58    59    60    61    62    63    64    70    80    83    84  
   59    60    61    62    83  
   60    61    62    83  
   61    62    63    64    65    66    67    70    71    77    80    81    82    83    84    73  
   62    63    64    70    80    83    84  
   63    64    65    66    67    68    69    70    80    83    84  
   64    65    66    67    83  
   65    66    67    68    69    70    71    83    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    77    80    83    84    73    74    75    76  
   69    70    71    83    73  
   70    71    83    73  
   71    72    77    78    79    80    81    82    83    84    73    74    75    76  
   72    77    78    79    80    81    82    83    84    73    74    75    76  
   77    78    79    80    83    73  
   74    75    76    77    80    83    84  
   75    76    83  
   76    83  
   83  
   78    79    80    81    82    83    84  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.105000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    48   320.000  1.462
   42    50   317.000  1.510
   48    49   570.000  1.229
   48    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   317.000  1.522
   60    83   268.000  1.529
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   317.000  1.522
   70    83   268.000  1.529
   70    73   268.000  1.529
   71    72   570.000  1.229
   71    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   40    41   340.000  1.090
   40    43   317.000  1.522
   40    46   320.000  1.410
   43    44   656.000  1.250
   43    45   656.000  1.250
   46    47   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  109.69300
   33    40    46    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    48    65.00000  118.96000
   38    42    50    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    48    49    80.00000  123.72100
   42    48    54    65.00000  118.62400
   42    50    51    35.00000  109.50000
   42    50    52    35.00000  109.50000
   42    50    53    35.00000  109.50000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    63.00000  111.10000
   54    48    49    80.00000  120.40000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    63.00000  111.10000
   57    60    83    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    63    80.00000  120.40000
   60    62    64    70.00000  116.00000
   60    83    70    58.35000  112.70000
   60    83    80    58.35000  112.70000
   60    83    84    37.50000  110.70000
   62    60    61    35.00000  109.50000
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    64    67    63.00000  111.10000
   64    62    63    80.00000  120.40000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    63.00000  111.10000
   67    70    83    58.35000  112.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    71    72    80.00000  120.40000
   70    71    77    70.00000  116.00000
   70    83    80    58.35000  112.70000
   70    83    84    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    37.50000  110.70000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    63.00000  111.10000
   77    71    72    80.00000  120.40000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    60    61    37.50000  110.70000
   83    60    62    63.00000  111.10000
   83    70    71    63.00000  111.10000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   73    70    71    63.00000  111.10000
   73    70    83    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   50    42    48    65.00000  116.34900
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    43    44    70.00000  117.00000
   40    43    45    70.00000  117.00000
   40    46    47    55.00000  108.50000
   43    40    41    35.00000  109.50000
   45    43    44    80.00000  126.00000
   46    40    41    35.00000  109.50000
   46    40    43    95.00000  109.52300
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   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    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   33    38    42    48   7.00000 -1.0 2.0
   33    38    42    50   7.00000 -1.0 2.0
   33    40    43    44   0.41150 -1.0 2.0
   33    40    43    45   0.41150 -1.0 2.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43  -0.11250  1.0 3.0
   34    33    40    46   0.23400  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    33    40    46   1.05650  1.0 1.0
   38    33    40    46   0.15600 -1.0 2.0
   38    33    40    46   0.53150  1.0 3.0
   38    42    48    49   1.00000 -1.0 2.0
   38    42    48    54  -0.33500  1.0 1.0
   38    42    48    54   1.06600 -1.0 2.0
   38    42    48    54  -0.14000  1.0 3.0
   38    42    50    51   0.00000  1.0 1.0
   38    42    50    52   0.00000  1.0 1.0
   38    42    50    53   0.00000  1.0 1.0
   39    38    42    48   7.00000 -1.0 2.0
   39    38    42    50   7.00000 -1.0 2.0
   42    48    54    55   0.00000  1.0 1.0
   42    48    54    56   0.00000  1.0 1.0
   42    48    54    57   0.65300  1.0 1.0
   42    48    54    57  -0.03850 -1.0 2.0
   42    48    54    57   0.33900  1.0 3.0
   48    42    50    51   0.15000  1.0 3.0
   48    42    50    52   0.15000  1.0 3.0
   48    42    50    53   0.15000  1.0 3.0
   48    54    57    58  -0.11250  1.0 3.0
   48    54    57    59  -0.11250  1.0 3.0
   48    54    57    60  -0.95700  1.0 1.0
   48    54    57    60  -0.18200 -1.0 2.0
   48    54    57    60   0.29450  1.0 3.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    56   0.00000  1.0 1.0
   49    48    54    57   0.30150 -1.0 2.0
   54    57    60    61   0.15000  1.0 3.0
   54    57    60    62  -0.95700  1.0 1.0
   54    57    60    62  -0.18200 -1.0 2.0
   54    57    60    62   0.29450  1.0 3.0
   54    57    60    83   0.56750  1.0 1.0
   54    57    60    83  -0.07550 -1.0 2.0
   54    57    60    83   0.20000  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    60   0.15000  1.0 3.0
   57    60    62    63   0.30150 -1.0 2.0
   57    60    62    64   0.60050  1.0 1.0
   57    60    62    64   0.05600 -1.0 2.0
   57    60    62    64   0.26150  1.0 3.0
   57    60    83    70   0.56750  1.0 1.0
   57    60    83    70  -0.07550 -1.0 2.0
   57    60    83    70   0.20000  1.0 3.0
   57    60    83    80   0.56750  1.0 1.0
   57    60    83    80  -0.07550 -1.0 2.0
   57    60    83    80   0.20000  1.0 3.0
   57    60    83    84   0.15000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62  -0.11250  1.0 3.0
   58    57    60    83   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62  -0.11250  1.0 3.0
   59    57    60    83   0.15000  1.0 3.0
   60    62    64    65   0.00000  1.0 1.0
   60    62    64    66   0.00000  1.0 1.0
   60    62    64    67   0.60050  1.0 1.0
   60    62    64    67   0.05600 -1.0 2.0
   60    62    64    67   0.26150  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    83    70   0.15000  1.0 3.0
   61    60    83    80   0.15000  1.0 3.0
   61    60    83    84   0.15000  1.0 3.0
   62    60    83    70  -0.95700  1.0 1.0
   62    60    83    70  -0.18200 -1.0 2.0
   62    60    83    70   0.29450  1.0 3.0
   62    60    83    80  -0.95700  1.0 1.0
   62    60    83    80  -0.18200 -1.0 2.0
   62    60    83    80   0.29450  1.0 3.0
   62    60    83    84  -0.11250  1.0 3.0
   62    64    67    68  -0.11250  1.0 3.0
   62    64    67    69  -0.11250  1.0 3.0
   62    64   -67    70  -0.95700  1.0 1.0
   62    64   -67    70  -0.18200 -1.0 2.0
   62    64   -67    70   0.29450  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    67   0.30150 -1.0 2.0
   64    67    70    71  -0.95700  1.0 1.0
   64    67    70    71  -0.18200 -1.0 2.0
   64    67    70    71   0.29450  1.0 3.0
   64    67    70    83   0.56750  1.0 1.0
   64    67    70    83  -0.07550 -1.0 2.0
   64    67    70    83   0.20000  1.0 3.0
   64    67    70    73   0.56750  1.0 1.0
   64    67    70    73  -0.07550 -1.0 2.0
   64    67    70    73   0.20000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    71    72   0.30150 -1.0 2.0
   67    70    71    77   0.60050  1.0 1.0
   67    70    71    77   0.05600 -1.0 2.0
   67    70    71    77   0.26150  1.0 3.0
   67    70   -83    60   0.56750  1.0 1.0
   67    70   -83    60  -0.07550 -1.0 2.0
   67    70   -83    60   0.20000  1.0 3.0
   67    70    83    80   0.56750  1.0 1.0
   67    70    83    80  -0.07550 -1.0 2.0
   67    70    83    80   0.20000  1.0 3.0
   67    70    83    84   0.15000  1.0 3.0
   67    70    73    74   0.15000  1.0 3.0
   67    70    73    75   0.15000  1.0 3.0
   67    70    73    76   0.15000  1.0 3.0
   68    67    70    71  -0.11250  1.0 3.0
   68    67    70    83   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   69    67    70    71  -0.11250  1.0 3.0
   69    67    70    83   0.15000  1.0 3.0
   69    67    70    73   0.15000  1.0 3.0
   70    71    77    78   0.00000  1.0 1.0
   70    71    77    79   0.00000  1.0 1.0
   70    71   -77    80   0.60050  1.0 1.0
   70    71   -77    80   0.05600 -1.0 2.0
   70    71   -77    80   0.26150  1.0 3.0
   71    70    83    60  -0.95700  1.0 1.0
   71    70    83    60  -0.18200 -1.0 2.0
   71    70    83    60   0.29450  1.0 3.0
   71    70   -83    80  -0.95700  1.0 1.0
   71    70   -83    80  -0.18200 -1.0 2.0
   71    70   -83    80   0.29450  1.0 3.0
   71    70    83    84  -0.11250  1.0 3.0
   71    70    73    74  -0.11250  1.0 3.0
   71    70    73    75  -0.11250  1.0 3.0
   71    70    73    76  -0.11250  1.0 3.0
   71    77    80    81  -0.11250  1.0 3.0
   71    77    80    82  -0.11250  1.0 3.0
   71    77   -80    83  -0.95700  1.0 1.0
   71    77   -80    83  -0.18200 -1.0 2.0
   71    77   -80    83   0.29450  1.0 3.0
   72    71    77    78   0.00000  1.0 1.0
   72    71    77    79   0.00000  1.0 1.0
   72    71    77    80   0.30150 -1.0 2.0
   77    80    83    60   0.56750  1.0 1.0
   77    80    83    60  -0.07550 -1.0 2.0
   77    80    83    60   0.20000  1.0 3.0
   77    80   -83    70   0.56750  1.0 1.0
   77    80   -83    70  -0.07550 -1.0 2.0
   77    80   -83    70   0.20000  1.0 3.0
   77    80    83    84   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.15000  1.0 3.0
   81    80    83    60   0.15000  1.0 3.0
   81    80    83    70   0.15000  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   82    80    83    60   0.15000  1.0 3.0
   82    80    83    70   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   83    60    62    63   0.30150 -1.0 2.0
   83    60   -62    64   0.60050  1.0 1.0
   83    60   -62    64   0.05600 -1.0 2.0
   83    60   -62    64   0.26150  1.0 3.0
   83    70    71    72   0.30150 -1.0 2.0
   83    70   -71    77   0.60050  1.0 1.0
   83    70   -71    77   0.05600 -1.0 2.0
   83    70   -71    77   0.26150  1.0 3.0
   83    70    73    74   0.15000  1.0 3.0
   83    70    73    75   0.15000  1.0 3.0
   83    70    73    76   0.15000  1.0 3.0
   73    70    71    72   0.30150 -1.0 2.0
   73    70    71    77   0.60050  1.0 1.0
   73    70    71    77   0.05600 -1.0 2.0
   73    70    71    77   0.26150  1.0 3.0
   73    70    83    60   0.56750  1.0 1.0
   73    70    83    60  -0.07550 -1.0 2.0
   73    70    83    60   0.20000  1.0 3.0
   73    70    83    80   0.56750  1.0 1.0
   73    70    83    80  -0.07550 -1.0 2.0
   73    70    83    80   0.20000  1.0 3.0
   73    70    83    84   0.15000  1.0 3.0
   50    42    48    49  -0.64400  1.0 1.0
   50    42    48    49   0.26850 -1.0 2.0
   50    42    48    54   0.25700  1.0 1.0
   50    42    48    54   0.66200 -1.0 2.0
   50    42    48    54   0.04450  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    45   0.00000  1.0 1.0
   41    40    46    47   0.19450  1.0 3.0
   43    40    46    47   0.91850  1.0 1.0
   43    40    46    47   0.57950  1.0 3.0
   46    40    43    44   0.30150 -1.0 2.0
   46    40    43    45   0.30150 -1.0 2.0
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    39    38    42  15.00000 -1.0 2.0
   48    50    42    38  15.00000 -1.0 2.0
   42    54    48    49  10.50000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
   70    77    71    72  10.50000 -1.0 2.0
   44    40    43    45  10.50000 -1.0 2.0
END
