* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    164    260     490
    1     0 S   NP   _N1_     1    29.00856    95.02482   -18.51729
    2     1 S   H    _HN1     2     1.02776    74.19772   -61.40924
    3     1 S   H    _H1_     3     1.02966   101.63473    44.58262
    4     1 S   H    _H2_     4     1.02833    38.20196   147.36500
    5     1 S   CT   _CA1     5     1.50138   142.26133  -167.54385
    6     5 S   HC   _HA1     6     1.09569   105.25267    31.20945
    7     5 S   CO3  _C1_     7     1.53833   112.38212   -89.02211
    8     7 S   O2Z  _O11     8     1.26349   114.99808   -41.81301
    9     7 S   O2Z  _O12     9     1.26235   114.96063   137.37409
   10     5 S   CT   _CB1    10     1.53091   107.39376   149.18285
   11    10 S   HC   HB11    11     1.09812   109.39917   -49.84556
   12    10 S   HC   HB12    12     1.09838   110.35278    66.71285
   13    10 S   CT   _CG1    13     1.53008   112.70871  -171.04441
   14    13 S   HC   HG11    14     1.09538   110.21286   -60.27405
   15    13 S   HC   HG12    15     1.09615   110.27628    58.79623
   16    13 S   C    _CD1    16     1.51822   111.99228   178.77411
   17    16 S   O    _OE1    17     1.22743   123.05125   -18.80452
   18    16 S   N    _N2_    18     1.38547   111.84351   162.14982
   19    18 S   H    _HN2    19     1.01594   119.00581     0.94253
   20    18 S   CT1  _CA2    20     1.46239   123.52386  -177.34849
   21    20 S   HC   _HA2    21     1.09731   109.34538   -18.62977
   22    20 S   C    _C2_    22     1.53418   108.15550  -134.38271
   23    22 S   O    _O2_    23     1.23006   122.33710  -145.35011
   24    20 S   CT   _CB2    32     1.53638   111.29645   103.67764
   25    24 S   HC   HB21    33     1.09357   109.08279    52.69911
   26    24 S   HC   HB22    34     1.09428   110.04105   171.50863
   27    22 S   N    _N3_    24     1.38532   113.27084    42.01865
   28    27 S   H    _HN3    25     1.01535   118.91025    -0.51320
   29    24 S   S    _SG2    35     1.83127   111.46900   -69.07565
   30    27 S   CT   _CA3    26     1.45443   123.38318   175.09515
   31    30 S   HC   HA31    27     1.09528   109.15887    25.75760
   32    30 S   HC   HA32    28     1.09493   107.13680   142.75745
   33    29 S   CT   _C9_    36     1.87113   102.43935   165.99934
   34    30 S   CO3  _C3_    29     1.52934   113.19218   -97.65975
   35    34 S   O2Z  _O31    30     1.26397   115.44769   -43.27199
   36    34 S   O2Z  _O32    31     1.26362   114.95474   137.67869
   37    33 S   CM   _C8_    37     1.51325   105.59962    61.02338
   38    37 S   HC   _H11    38     1.08910   115.67440    65.88619
   39    33 S   CT   _C10    59     1.53696   107.52463   173.75898
   40    39 S   HC   _H12    60     1.09839   112.36302   -48.70495
   41    39 S   HC   _H13    61     1.09888   111.32221  -167.53916
   42    37 S   CM   _C7_    39     1.33924   125.89257  -111.86560
   43    42 S   CO4  _C16    40     1.48413   117.29829    -0.65072
   44    43 S   O    _O34    41     1.22987   121.28790   172.47428
   45    42 S   CT   _C5_    76     1.51863   125.34482   178.58695
   46    45 S   HC   _H7_    77     1.09821   108.10323   147.53066
   47    43 S   CM   _C15    42     1.49367   119.46287    -9.27646
   48    45 S   CT   _C4_    78     1.53148   110.32673   -94.55399
   49    48 S   HC   _H4_    79     1.09597   111.37205    63.61428
   50    48 S   HC   _H5_    80     1.09539   111.42653   -56.79909
   51    48 S   HC   _H6_    81     1.09542   110.67783  -176.41739
   52    45 S   CT   _C6_    82     1.53378   114.51171    30.01951
   53    52 S   HC   _H8_    83     1.09530   112.04536   -68.87869
   54    52 S   HC   _H9_    84     1.09583   110.28925   171.70573
   55    52 S   HC   _H10    85     1.09547   111.09421    52.53313
   56    33 S   CM   _C14    43     1.55023   111.66650   -63.77921
   57    47 S   OH   _O35    74     1.37899   114.12489  -173.02999
   58    57 S   HO   _H14    75     0.97452   107.39734    -0.66617
   59    56 S   CT   _C13    44     1.59873   117.23630   -74.47544
   60    59 S   CT   _C17    45     1.56497   113.92351  -164.78648
   61    60 S   HC   _H15    46     1.09828   109.39195    48.73104
   62    60 S   HC   _H16    47     1.09681   110.25953   -69.53718
   63    59 S   CT   _C23    70     1.54650   107.82353    76.73660
   64    63 S   HC   _H27    71     1.09193   113.20315   154.49029
   65    63 S   HC   _H28    72     1.09615   110.92266    37.00914
   66    63 S   HC   _H29    73     1.09310   112.59040   -84.78469
   67    60 S   CT   _C18    48     1.53053   115.55991   169.46869
   68    67 S   HC   _H17    49     1.09423   110.97933    68.76833
   69    67 S   HC   _H18    50     1.09710   108.67599  -175.48018
   70    67 S   CT   _C19    51     1.52046   112.03328   -55.18966
   71    70 S   HC   _H19    52     1.09752   109.17211   178.71992
   72    70 S   HC   _H20    53     1.09874   108.13514   -66.37240
   73    70 S   CT   _C20    54     1.54754   113.23582    55.18327
   74    59 S   CT   _C12    55     1.57159   108.64540   -46.91455
   75    74 S   HC   _H3_    56     1.10457   105.06888   -58.31407
   76    73 S   CT   _C21    62     1.54130   109.27445    74.22788
   77    76 S   HC   _H21    63     1.09256   112.57214  -179.84174
   78    76 S   HC   _H22    64     1.09723   110.41972    61.23525
   79    76 S   HC   _H23    65     1.08875   113.16951   -57.47973
   80    73 S   CT   _C22    66     1.55066   106.69197  -170.34032
   81    80 S   HC   _H24    67     1.09419   112.11245  -174.66987
   82    80 S   HC   _H25    68     1.09591   111.33496    64.54514
   83    80 S   HC   _H26    69     1.09652   111.00064   -54.98052
   84    74 S   CO4  _C11    57     1.52497   109.65971    51.68769
   85    84 S   O    _O33    58     1.22705   124.74518   119.48247
  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  11   5   4   3
  17   2   1   1  15   5  11   5   4  15  10   4  10   8   7   7
   3   2   1   3   2   1   1  15   2   1  18  16   7   6   8   3
   2   1   9   5   4  14   5   4  12  11   4   8   3   2   1   4
   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    56    59    84    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    47    56    59    60    74    84    85    39    40    41    63    57    45  
   35    36  
   36  
    0  
   38    42    43    44    47    56    59    84    39    40    41    45    46    48    52  
   42    43    56    39    45  
   40    41    42    47    56    59    73    74    75    84    85  
   41    56    74    84    85  
   56    74    84    85  
   43    44    47    56    57    45    46    48    49    50    51    52    53    54    55  
   44    47    56    59    57    58    45    46    48    52  
   47    56    57    45  
   46    48    49    50    51    52    53    54    55    47  
   48    49    50    51    52    53    54    55  
   56    59    60    74    63    57    58  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52  
   52  
   53    54    55  
   54    55  
   55  
    0  
   59    60    61    62    67    73    74    75    84    63    64    65    66    57    58  
   58    59  
    0  
   60    61    62    67    68    69    70    73    74    75    84    85    76    80    63    64    65    66  
   61    62    67    68    69    70    71    72    73    74    75    84    63    64    65    66  
   62    67    68    69    70    74    63  
   67    68    69    70    74    63  
   64    65    66    67    73    74    75    84  
   65    66    74  
   66    74  
   74  
   68    69    70    71    72    73    74    76    80  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73    74    75    84    76    77    78    79    80    81    82    83  
   72    73    74    76    80  
   73    74    76    80  
   74    75    84    85    76    77    78    79    80    81    82    83  
   75    84    85    76    77    78    79    80    81    82    83  
   84    85    76    80  
   77    78    79    80    81    82    83    84  
   78    79    80  
   79    80  
   80  
   81    82    83    84  
   82    83  
   83  
    0  
   85  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    56   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   320.000  1.462
   42    45   317.000  1.510
   43    44   570.000  1.229
   43    47   320.000  1.462
   47    56   549.000  1.340
   47    57   510.000  1.338
   56    59   317.000  1.510
   59    60   268.000  1.529
   59    74   268.000  1.529
   59    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    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   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   268.000  1.529
   73    76   268.000  1.529
   73    80   268.000  1.529
   74    75   340.000  1.090
   74    84   317.000  1.522
   84    85   570.000  1.229
   84    39   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   57    58   553.000  0.945
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    52   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    56    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    56    47    70.00000  124.00000
   33    56    59    65.00000  117.92700
   33    39    84    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  118.96000
   37    42    45    70.00000  124.00000
   42    37    38    35.00000  120.00000
   42    43    44    80.00000  123.72100
   42    43    47    65.00000  118.65900
   42    45    46    35.00000  109.50000
   42    45    48    70.00000  112.02700
   42    45    52    70.00000  112.02700
   43    47    56    65.00000  118.96000
   43    47    57    85.00000  116.28000
   47    43    44    80.00000  123.72100
   47    56    59    70.00000  124.00000
   47    57    58    70.00000  107.45700
   56    33    37    70.00000  110.12100
   56    59    60    70.00000  112.02700
   56    59    74    70.00000  112.02700
   56    59    63    70.00000  112.02700
   59    60    61    37.50000  110.70000
   59    60    62    37.50000  110.70000
   59    60    67    58.35000  112.70000
   59    74    73    58.35000  112.70000
   59    74    75    37.50000  110.70000
   59    74    84    63.00000  111.10000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    66    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    58.35000  112.70000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   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    73    74    58.35000  112.70000
   70    73    76    58.35000  112.70000
   70    73    80    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    74    75    37.50000  110.70000
   73    74    84    63.00000  111.10000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    37.50000  110.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    83    37.50000  110.70000
   74    59    60    58.35000  112.70000
   74    84    85    80.00000  120.40000
   74    84    39    70.00000  116.00000
   84    74    75    35.00000  109.50000
   84    39    40    35.00000  109.50000
   84    39    41    35.00000  109.50000
   39    33    37    70.00000  112.02700
   39    33    56    70.00000  112.02700
   39    84    85    80.00000  120.40000
   41    39    40    33.00000  107.80000
   76    73    74    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
   80    73    74    58.35000  112.70000
   80    73    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   63    59    60    58.35000  112.70000
   63    59    74    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   57    47    56    80.00000  121.38400
   45    42    43    65.00000  116.34900
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    37.50000  110.70000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    55    37.50000  110.70000
   48    45    46    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    45    46    37.50000  110.70000
   52    45    48    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56  -0.62250  1.0 1.0
   24    29    33    56  -0.38450 -1.0 2.0
   24    29    33    56   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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    56    47   0.42700  1.0 1.0
   29    33    56    47  -0.70350 -1.0 2.0
   29    33    56    47  -0.43150  1.0 3.0
   29    33    56    59   0.30250  1.0 1.0
   29    33    56    59  -0.14950 -1.0 2.0
   29    33    56    59   0.36900  1.0 3.0
   29    33    39    84   0.56750  1.0 1.0
   29    33    39    84  -0.07550 -1.0 2.0
   29    33    39    84   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    37    42    43   7.00000 -1.0 2.0
   33    37    42    45   7.00000 -1.0 2.0
   33    56    59    60   0.46850  1.0 1.0
   33    56    59    60   0.08550 -1.0 2.0
   33    56    59    60   0.09800  1.0 3.0
   33    56    59    74   0.46850  1.0 1.0
   33    56    59    74   0.08550 -1.0 2.0
   33    56    59    74   0.09800  1.0 3.0
   33    56    59    63   0.46850  1.0 1.0
   33    56    59    63   0.08550 -1.0 2.0
   33    56    59    63   0.09800  1.0 3.0
   37    33    56    47  -0.28300  1.0 1.0
   37    33    56    47   0.26700 -1.0 2.0
   37    33    56    47  -0.63300  1.0 3.0
   37    33    56    59   0.09700  1.0 1.0
   37    33    56    59   0.15600 -1.0 2.0
   37    33    56    59  -0.50800  1.0 3.0
   37    33    39    84  -0.98800  1.0 1.0
   37    33    39    84   0.48800 -1.0 2.0
   37    33    39    84   0.76800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    43    44   1.00000 -1.0 2.0
   37    42   -43    47  -1.18350  1.0 1.0
   37    42   -43    47   1.45950 -1.0 2.0
   37    42    45    46   0.00000  1.0 1.0
   37    42    45    48   0.09850  1.0 1.0
   37    42    45    48   0.15250 -1.0 2.0
   37    42    45    48  -0.50650  1.0 3.0
   37    42    45    52   0.09850  1.0 1.0
   37    42    45    52   0.15250 -1.0 2.0
   37    42    45    52  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    45   7.00000 -1.0 2.0
   42    43    47    56  -1.18350  1.0 1.0
   42    43    47    56   1.45950 -1.0 2.0
   42    43    47    57   1.50000 -1.0 2.0
   42    45    48    49   0.15000  1.0 3.0
   42    45    48    50   0.15000  1.0 3.0
   42    45    48    51   0.15000  1.0 3.0
   42    45    52    53   0.15000  1.0 3.0
   42    45    52    54   0.15000  1.0 3.0
   42    45    52    55   0.15000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    48   0.09700  1.0 1.0
   43    42    45    48   0.15600 -1.0 2.0
   43    42    45    48  -0.50800  1.0 3.0
   43    42    45    52   0.09700  1.0 1.0
   43    42    45    52   0.15600 -1.0 2.0
   43    42    45    52  -0.50800  1.0 3.0
   43    47   -56    33   7.00000 -1.0 2.0
   43    47    56    59   7.00000 -1.0 2.0
   43    47    57    58   2.00000 -1.0 2.0
   44    43    47    56   1.00000 -1.0 2.0
   44    43    47    57  -0.11900  1.0 1.0
   44    43    47    57   0.76850 -1.0 2.0
   44    43    47    57   0.14100  1.0 3.0
   47    56    59    60   0.09850  1.0 1.0
   47    56    59    60   0.15250 -1.0 2.0
   47    56    59    60  -0.50650  1.0 3.0
   47    56    59    74   0.09850  1.0 1.0
   47    56    59    74   0.15250 -1.0 2.0
   47    56    59    74  -0.50650  1.0 3.0
   47    56    59    63   0.09850  1.0 1.0
   47    56    59    63   0.15250 -1.0 2.0
   47    56    59    63  -0.50650  1.0 3.0
   56    33    37    38   0.00000  1.0 1.0
   56    33   -37    42  -0.28300  1.0 1.0
   56    33   -37    42   0.26700 -1.0 2.0
   56    33   -37    42  -0.63300  1.0 3.0
   56    33    39    84  -0.98800  1.0 1.0
   56    33    39    84   0.48800 -1.0 2.0
   56    33    39    84   0.76800  1.0 3.0
   56    33    39    40   0.15000  1.0 3.0
   56    33    39    41   0.15000  1.0 3.0
   56    47    57    58  -0.66100  1.0 1.0
   56    47    57    58   1.20850 -1.0 2.0
   56    47    57    58  -0.36000  1.0 3.0
   56    59    60    61   0.15000  1.0 3.0
   56    59    60    62   0.15000  1.0 3.0
   56    59    60    67   0.34400  1.0 1.0
   56    59    60    67   0.09450 -1.0 2.0
   56    59    60    67   0.11100  1.0 3.0
   56    59    74    73   0.34400  1.0 1.0
   56    59    74    73   0.09450 -1.0 2.0
   56    59    74    73   0.11100  1.0 3.0
   56    59    74    75   0.15000  1.0 3.0
   56    59   -74    84  -0.98800  1.0 1.0
   56    59   -74    84   0.48800 -1.0 2.0
   56    59   -74    84   0.76800  1.0 3.0
   56    59    63    64   0.15000  1.0 3.0
   56    59    63    65   0.15000  1.0 3.0
   56    59    63    66   0.15000  1.0 3.0
   59    60    67    68   0.15000  1.0 3.0
   59    60    67    69   0.15000  1.0 3.0
   59    60    67    70   0.56750  1.0 1.0
   59    60    67    70  -0.07550 -1.0 2.0
   59    60    67    70   0.20000  1.0 3.0
   59    74    84    85   0.30150 -1.0 2.0
   59    74    84    39   0.60050  1.0 1.0
   59    74    84    39   0.05600 -1.0 2.0
   59    74    84    39   0.26150  1.0 3.0
   60    59    74    73   0.56750  1.0 1.0
   60    59    74    73  -0.07550 -1.0 2.0
   60    59    74    73   0.20000  1.0 3.0
   60    59    74    75   0.15000  1.0 3.0
   60    59    74    84  -0.95700  1.0 1.0
   60    59    74    84  -0.18200 -1.0 2.0
   60    59    74    84   0.29450  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    67    70    71   0.15000  1.0 3.0
   60    67    70    72   0.15000  1.0 3.0
   60    67   -70    73   0.56750  1.0 1.0
   60    67   -70    73  -0.07550 -1.0 2.0
   60    67   -70    73   0.20000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   62    60    67    68   0.15000  1.0 3.0
   62    60    67    69   0.15000  1.0 3.0
   62    60    67    70   0.15000  1.0 3.0
   67    70    73    74   0.56750  1.0 1.0
   67    70    73    74  -0.07550 -1.0 2.0
   67    70    73    74   0.20000  1.0 3.0
   67    70    73    76   0.56750  1.0 1.0
   67    70    73    76  -0.07550 -1.0 2.0
   67    70    73    76   0.20000  1.0 3.0
   67    70    73    80   0.56750  1.0 1.0
   67    70    73    80  -0.07550 -1.0 2.0
   67    70    73    80   0.20000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.15000  1.0 3.0
   70    73   -74    59   0.56750  1.0 1.0
   70    73   -74    59  -0.07550 -1.0 2.0
   70    73   -74    59   0.20000  1.0 3.0
   70    73    74    75   0.15000  1.0 3.0
   70    73    74    84  -0.95700  1.0 1.0
   70    73    74    84  -0.18200 -1.0 2.0
   70    73    74    84   0.29450  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79   0.15000  1.0 3.0
   70    73    80    81   0.15000  1.0 3.0
   70    73    80    82   0.15000  1.0 3.0
   70    73    80    83   0.15000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   71    70    73    80   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   72    70    73    80   0.15000  1.0 3.0
   73    74    84    85   0.30150 -1.0 2.0
   73    74    84    39   0.60050  1.0 1.0
   73    74    84    39   0.05600 -1.0 2.0
   73    74    84    39   0.26150  1.0 3.0
   74    59    60    61   0.15000  1.0 3.0
   74    59    60    62   0.15000  1.0 3.0
   74    59   -60    67   0.56750  1.0 1.0
   74    59   -60    67  -0.07550 -1.0 2.0
   74    59   -60    67   0.20000  1.0 3.0
   74    59    63    64   0.15000  1.0 3.0
   74    59    63    65   0.15000  1.0 3.0
   74    59    63    66   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   74    73    80    81   0.15000  1.0 3.0
   74    73    80    82   0.15000  1.0 3.0
   74    73    80    83   0.15000  1.0 3.0
   74    84   -39    33   0.60050  1.0 1.0
   74    84   -39    33   0.05600 -1.0 2.0
   74    84   -39    33   0.26150  1.0 3.0
   74    84    39    40   0.00000  1.0 1.0
   74    84    39    41   0.00000  1.0 1.0
   75    74    84    85   0.00000  1.0 1.0
   75    74    84    39   0.00000  1.0 1.0
   85    84    39    33   0.30150 -1.0 2.0
   85    84    39    40   0.00000  1.0 1.0
   85    84    39    41   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    56    47   0.09850  1.0 1.0
   39    33    56    47   0.15250 -1.0 2.0
   39    33    56    47  -0.50650  1.0 3.0
   39    33   -56    59   0.46850  1.0 1.0
   39    33   -56    59   0.08550 -1.0 2.0
   39    33   -56    59   0.09800  1.0 3.0
   76    73    74    59   0.56750  1.0 1.0
   76    73    74    59  -0.07550 -1.0 2.0
   76    73    74    59   0.20000  1.0 3.0
   76    73    74    75   0.15000  1.0 3.0
   76    73    74    84  -0.95700  1.0 1.0
   76    73    74    84  -0.18200 -1.0 2.0
   76    73    74    84   0.29450  1.0 3.0
   76    73    80    81   0.15000  1.0 3.0
   76    73    80    82   0.15000  1.0 3.0
   76    73    80    83   0.15000  1.0 3.0
   80    73    74    59   0.56750  1.0 1.0
   80    73    74    59  -0.07550 -1.0 2.0
   80    73    74    59   0.20000  1.0 3.0
   80    73    74    75   0.15000  1.0 3.0
   80    73    74    84  -0.95700  1.0 1.0
   80    73    74    84  -0.18200 -1.0 2.0
   80    73    74    84   0.29450  1.0 3.0
   80    73    76    77   0.15000  1.0 3.0
   80    73    76    78   0.15000  1.0 3.0
   80    73    76    79   0.15000  1.0 3.0
   63    59    60    61   0.15000  1.0 3.0
   63    59    60    62   0.15000  1.0 3.0
   63    59    60    67   0.56750  1.0 1.0
   63    59    60    67  -0.07550 -1.0 2.0
   63    59    60    67   0.20000  1.0 3.0
   63    59    74    73   0.56750  1.0 1.0
   63    59    74    73  -0.07550 -1.0 2.0
   63    59    74    73   0.20000  1.0 3.0
   63    59    74    75   0.15000  1.0 3.0
   63    59    74    84  -0.95700  1.0 1.0
   63    59    74    84  -0.18200 -1.0 2.0
   63    59    74    84   0.29450  1.0 3.0
   57    47    56    33   7.00000 -1.0 2.0
   57    47    56    59   7.00000 -1.0 2.0
   45    42    43    44  -0.64400  1.0 1.0
   45    42    43    44   0.26850 -1.0 2.0
   45    42    43    47   1.50000 -1.0 2.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   46    45    52    55   0.15000  1.0 3.0
   48    45    52    53   0.15000  1.0 3.0
   48    45    52    54   0.15000  1.0 3.0
   48    45    52    55   0.15000  1.0 3.0
   52    45    48    49   0.15000  1.0 3.0
   52    45    48    50   0.15000  1.0 3.0
   52    45    48    51   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   43    45    42    37   1.10000 -1.0 2.0
   42    47    43    44  10.50000 -1.0 2.0
   43    57    47    56   1.10000 -1.0 2.0
   33    59    56    47   1.10000 -1.0 2.0
   74    39    84    85  10.50000 -1.0 2.0
END
