* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    160    251     474
    1     0 S   NP   _N1_     1    29.78087    95.07698   -26.47201
    2     1 S   H    _HN1     2     1.02946    85.15841    -3.92885
    3     1 S   H    _H1_     3     1.02829    22.14713  -175.83045
    4     1 S   H    _H2_     4     1.02790   119.30985  -112.29671
    5     1 S   CT   _CA1     5     1.50108   117.38006   106.60786
    6     5 S   HC   _HA1     6     1.09558   105.27035    82.48650
    7     5 S   CO3  _C1_     7     1.53806   112.39422   -38.01260
    8     7 S   O2Z  _O11     8     1.26389   114.99504   -43.31782
    9     7 S   O2Z  _O12     9     1.26230   114.94265   135.83634
   10     5 S   CT   _CB1    10     1.53001   107.40801  -159.32710
   11    10 S   HC   HB11    11     1.09829   109.60785   -48.11878
   12    10 S   HC   HB12    12     1.09733   110.21712    68.52203
   13    10 S   CT   _CG1    13     1.52975   112.68498  -169.23162
   14    13 S   HC   HG11    14     1.09576   110.65876   -63.00422
   15    13 S   HC   HG12    15     1.09644   109.90388    56.37731
   16    13 S   C    _CD1    16     1.51673   111.97661   176.90004
   17    16 S   O    _OE1    17     1.22729   123.29029     4.92816
   18    16 S   N    _N2_    18     1.38639   111.95977  -175.24255
   19    18 S   H    _HN2    19     1.01575   119.14378     3.73067
   20    18 S   CT1  _CA2    20     1.46027   122.98242  -179.41987
   21    20 S   HC   _HA2    21     1.09650   109.07806     9.59583
   22    20 S   C    _C2_    22     1.53628   109.81688  -105.92658
   23    22 S   O    _O2_    23     1.23112   121.94173  -151.78315
   24    20 S   CT   _CB2    32     1.53385   111.81506   131.29067
   25    24 S   HC   HB21    33     1.09658   109.67546    67.76016
   26    24 S   HC   HB22    34     1.09588   110.49904  -175.19580
   27    22 S   N    _N3_    24     1.38211   114.12856    35.62155
   28    27 S   H    _HN3    25     1.01539   119.70808    -3.19555
   29    24 S   S    _SG2    35     1.82919   115.46567   -52.29458
   30    27 S   CT   _CA3    26     1.45296   123.21630   177.09505
   31    30 S   HC   HA31    27     1.09549   107.50394   -64.83683
   32    30 S   HC   HA32    28     1.09557   107.99993    51.61217
   33    29 S   CT   _C22    36     1.83876   100.25672   -57.67566
   34    33 S   HC   _H25    37     1.09400   107.32845   -46.78284
   35    33 S   HC   _H26    38     1.08813   105.23214    70.72754
   36    30 S   CO3  _C3_    29     1.52963   114.07321   173.62391
   37    36 S   O2Z  _O31    30     1.26375   116.07145    -0.41543
   38    36 S   O2Z  _O32    31     1.26426   114.41566   179.65452
   39    33 S   CT   _C11    39     1.53872   112.41516  -167.79965
   40    39 S   CT   _C10    40     1.52969   113.96631   -67.67932
   41    40 S   HC   _H4_    41     1.09460   112.89832    65.98429
   42    39 S   OH   _O37    83     1.43846   106.68875    53.47975
   43    42 S   HO   _H27    84     0.97353   107.42012   -55.47183
   44    40 S   CT   _C9_    42     1.53674   104.43952  -175.30861
   45    44 S   HC   _H11    43     1.09415   111.79997   147.89686
   46    44 S   HC   _H12    44     1.09609   109.98757   -92.23156
   47    40 S   OS   _O36    59     1.42941   108.98925   -53.84569
   48    44 S   CT   _C8_    45     1.54466   104.91292    26.91348
   49    48 S   HC   _H3_    46     1.09001   111.30693   128.21129
   50    39 S   CT   _C12    47     1.58097   118.99512   176.99235
   51    48 S   OS   _O34    72     1.44611   109.53364  -113.43993
   52    50 S   CT   _C13    48     1.61006   112.48384    58.37901
   53    50 S   CT   _C21    68     1.54023   111.44763   -68.80258
   54    53 S   HC   _H22    69     1.09399   111.66620    67.82794
   55    53 S   HC   _H23    70     1.09512   112.29089   -51.37807
   56    53 S   HC   _H24    71     1.09383   111.49155  -171.10505
   57    51 S   CO4  _C7_    73     1.36053   117.23989   -79.04133
   58    57 S   O    _O33    74     1.21890   126.61653    -0.06256
   59    52 S   CT   _C14    49     1.55385   112.46870   -77.84452
   60    59 S   HC   _H13    50     1.08583   114.19531    43.31199
   61    59 S   HC   _H14    51     1.09863   109.18519   -74.58033
   62    52 S   CT   _C20    64     1.56817   111.51141   166.06401
   63    62 S   HC   _H19    65     1.09312   112.97268   -69.25618
   64    62 S   HC   _H20    66     1.09619   111.68268   172.20391
   65    62 S   HC   _H21    67     1.09403   111.75777    52.65233
   66    57 S   CM   _C6_    75     1.48089   107.09245  -179.68910
   67    66 S   HC   _H10    76     1.08746   116.08306    10.99823
   68    59 S   CO4  _C15    52     1.51582   114.84441   165.98069
   69    68 S   O    _O35    53     1.23138   120.50554   151.99720
   70    66 S   CM   _C5_    77     1.34049   125.59714  -169.76303
   71    70 S   HC   _H9_    78     1.08947   116.50755  -178.61125
   72    68 S   CM   _C16    54     1.48657   119.19622   -31.01490
   73    70 S   CT   _C4_    79     1.49338   129.23608     2.34034
   74    73 S   HC   _H6_    80     1.09410   109.94294  -108.84782
   75    73 S   HC   _H7_    81     1.09515   109.29633   132.79678
   76    73 S   HC   _H8_    82     1.09087   113.84094    13.36900
   77    72 S   CM   _C17    55     1.33901   119.21275     7.80268
   78    77 S   HC   _H15    56     1.08906   118.41846  -178.39697
   79    72 S   CT   _C19    60     1.49660   117.49996  -171.48263
   80    79 S   HC   _H16    61     1.09487   110.45523   -61.49172
   81    79 S   HC   _H17    62     1.09522   111.98573   178.57262
   82    79 S   HC   _H18    63     1.09492   110.50622    58.66367
   83    52 S   CT   _C18    57     1.56198   109.50083    47.58507
   84    83 S   HC   _H5_    58     1.09752   108.48665    85.31097
  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   7   5   4   3
  13   5   4   2   1   1  20  16   8   7   1  11   6   5  10  14
   5  18   7  18   6   2   1   1   6   3  13   6   5   7   3   2
   1   7   3   9   3   5   4   8   3   2   1   1   7   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    50    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    48    50    52    47    53    42    43  
   35    39    40    50    42  
   39    40    50    42  
   37    38  
   38  
    0  
   40    41    44    45    46    48    49    50    52    59    83    47    62    53    54    55    56    51    42    43  
   41    44    45    46    48    49    50    52    77    83    84    47    53    51    42    43  
   44    45    46    48    50    83    47    42  
   43    44    47    48    50    52    53  
   50  
   45    46    48    49    50    52    83    47    53    51    57  
   46    48    49    50    47    51  
   48    49    50    47    51  
   62    48    50    52    59    72    77    78    83    84  
   49    50    52    59    83    62    53    54    55    56    51    57    58    66  
   50    52    53    51    57  
   52    59    60    61    68    77    83    84    62    63    64    65    53    54    55    56    51    57  
   57    58    66    67    70    52    53  
   59    60    61    68    69    72    77    78    83    84    62    63    64    65    53    54    55    56  
   54    55    56    59    62    83  
   55    56  
   56  
    0  
   58    66    67    70    71    73  
   66    67    70  
   60    61    68    69    72    77    83    84    79    62    63    64    65  
   61    68    69    72    83    62  
   68    69    72    83    62  
   63    64    65    68    77    83    84  
   64    65    83  
   65    83  
   83  
   67    70    71    73    74    75    76  
   70    71    73  
   69    72    77    78    83    79    80    81    82  
   72    77    79  
   71    73    74    75    76  
   73    74    75    76  
   77    78    83    84    79    80    81    82  
   74    75    76  
   75    76  
   76  
    0  
   78    83    84    79    80    81    82  
   83    84    79  
   80    81    82    83  
   81    82  
   82  
    0  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    50   268.000  1.529
   39    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   320.000  1.410
   50    52   268.000  1.529
   50    53   268.000  1.529
   52    59   268.000  1.529
   52    83   268.000  1.529
   52    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    68   317.000  1.522
   68    69   570.000  1.229
   68    72   320.000  1.462
   72    77   549.000  1.340
   72    79   317.000  1.510
   77    78   340.000  1.080
   77    83   317.000  1.510
   83    84   340.000  1.090
   83    47   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   51    57   214.000  1.327
   57    58   570.000  1.229
   57    66   320.000  1.462
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    71   340.000  1.080
   70    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    50    58.35000  112.70000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    44    58.35000  112.70000
   39    40    47    50.00000  109.50000
   39    50    48    58.35000  112.70000
   39    50    52    58.35000  112.70000
   39    50    53    58.35000  112.70000
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    47    83    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    58.35000  112.70000
   44    48    51    50.00000  109.50000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    50    52    58.35000  112.70000
   48    50    53    58.35000  112.70000
   48    51    57    83.00000  116.90000
   50    39    40    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    59    58.35000  112.70000
   50    52    83    58.35000  112.70000
   50    52    62    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    68    63.00000  111.10000
   52    83    77    70.00000  112.02700
   52    83    84    37.50000  110.70000
   52    83    47    50.00000  109.50000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    65    37.50000  110.70000
   59    68    69    80.00000  120.40000
   59    68    72    65.00000  118.62400
   61    59    60    33.00000  107.80000
   68    59    60    35.00000  109.50000
   68    59    61    35.00000  109.50000
   68    72    77    65.00000  118.96000
   68    72    79    65.00000  116.34900
   72    68    69    80.00000  123.72100
   72    77    78    35.00000  120.00000
   72    77    83    70.00000  124.00000
   72    79    80    35.00000  109.50000
   72    79    81    35.00000  109.50000
   72    79    82    35.00000  109.50000
   77    83    84    35.00000  109.50000
   77    83    47    85.00000  110.90400
   83    52    59    58.35000  112.70000
   83    77    78    35.00000  117.00000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
   47    83    84    35.00000  109.50000
   79    72    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   62    52    59    58.35000  112.70000
   62    52    83    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   53    50    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    50.00000  109.50000
   51    57    58    83.00000  123.40000
   51    57    66    90.00000  111.29400
   57    66    67    40.00000  117.72500
   57    66    70    65.00000  118.96000
   66    57    58    80.00000  123.72100
   66    70    71    35.00000  120.00000
   66    70    73    70.00000  124.00000
   70    66    67    35.00000  120.00000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    76    35.00000  109.50000
   73    70    71    35.00000  117.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   42    39    40    50.00000  109.50000
   42    39    50    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    44   0.56750  1.0 1.0
   33    39    40    44  -0.07550 -1.0 2.0
   33    39    40    44   0.20000  1.0 3.0
   33    39    40    47   0.62750  1.0 1.0
   33    39    40    47  -0.30950 -1.0 2.0
   33    39    40    47   0.27300  1.0 3.0
   33    39    50    48   0.56750  1.0 1.0
   33    39    50    48  -0.07550 -1.0 2.0
   33    39    50    48   0.20000  1.0 3.0
   33    39    50    52   0.56750  1.0 1.0
   33    39    50    52  -0.07550 -1.0 2.0
   33    39    50    52   0.20000  1.0 3.0
   33    39    50    53   0.56750  1.0 1.0
   33    39    50    53  -0.07550 -1.0 2.0
   33    39    50    53   0.20000  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    50   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    50   0.15000  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    40    44    45   0.15000  1.0 3.0
   39    40    44    46   0.15000  1.0 3.0
   39    40   -44    48   0.56750  1.0 1.0
   39    40   -44    48  -0.07550 -1.0 2.0
   39    40   -44    48   0.20000  1.0 3.0
   39    40    47    83   0.06250  1.0 1.0
   39    40    47    83  -0.01100 -1.0 2.0
   39    40    47    83   0.28050  1.0 3.0
   39    50    52    59   0.56750  1.0 1.0
   39    50    52    59  -0.07550 -1.0 2.0
   39    50    52    59   0.20000  1.0 3.0
   39    50   -52    83   0.56750  1.0 1.0
   39    50   -52    83  -0.07550 -1.0 2.0
   39    50   -52    83   0.20000  1.0 3.0
   39    50    52    62   0.56750  1.0 1.0
   39    50    52    62  -0.07550 -1.0 2.0
   39    50    52    62   0.20000  1.0 3.0
   39    50    53    54   0.15000  1.0 3.0
   39    50    53    55   0.15000  1.0 3.0
   39    50    53    56   0.15000  1.0 3.0
   40    39   -50    48   0.56750  1.0 1.0
   40    39   -50    48  -0.07550 -1.0 2.0
   40    39   -50    48   0.20000  1.0 3.0
   40    39    50    52   0.56750  1.0 1.0
   40    39    50    52  -0.07550 -1.0 2.0
   40    39    50    52   0.20000  1.0 3.0
   40    39    50    53   0.56750  1.0 1.0
   40    39    50    53  -0.07550 -1.0 2.0
   40    39    50    53   0.20000  1.0 3.0
   40    39    42    43  -0.11600  1.0 1.0
   40    39    42    43  -0.09450 -1.0 2.0
   40    39    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44   -48    50   0.56750  1.0 1.0
   40    44   -48    50  -0.07550 -1.0 2.0
   40    44   -48    50   0.20000  1.0 3.0
   40    44    48    51   0.62750  1.0 1.0
   40    44    48    51  -0.30950 -1.0 2.0
   40    44    48    51   0.27300  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    47    83   0.37050  1.0 3.0
   44    40    47    83   0.06250  1.0 1.0
   44    40    47    83  -0.01100 -1.0 2.0
   44    40    47    83   0.28050  1.0 3.0
   44    48   -50    39   0.56750  1.0 1.0
   44    48   -50    39  -0.07550 -1.0 2.0
   44    48   -50    39   0.20000  1.0 3.0
   44    48    50    52   0.56750  1.0 1.0
   44    48    50    52  -0.07550 -1.0 2.0
   44    48    50    52   0.20000  1.0 3.0
   44    48    50    53   0.56750  1.0 1.0
   44    48    50    53  -0.07550 -1.0 2.0
   44    48    50    53   0.20000  1.0 3.0
   44    48    51    57  -0.25900  1.0 1.0
   44    48    51    57  -0.47000 -1.0 2.0
   44    48    51    57   0.11750  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    51   0.23400  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    50   0.15000  1.0 3.0
   46    44    48    51   0.23400  1.0 3.0
   48    50    52    59   0.56750  1.0 1.0
   48    50    52    59  -0.07550 -1.0 2.0
   48    50    52    59   0.20000  1.0 3.0
   48    50    52    83   0.56750  1.0 1.0
   48    50    52    83  -0.07550 -1.0 2.0
   48    50    52    83   0.20000  1.0 3.0
   48    50    52    62   0.56750  1.0 1.0
   48    50    52    62  -0.07550 -1.0 2.0
   48    50    52    62   0.20000  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    55   0.15000  1.0 3.0
   48    50    53    56   0.15000  1.0 3.0
   48    51    57    58   3.00000 -1.0 2.0
   48    51    57    66   2.00000 -1.0 2.0
   49    48    50    39   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    51    57   0.08050  1.0 3.0
   50    39    40    41   0.15000  1.0 3.0
   50    39   -40    44   0.56750  1.0 1.0
   50    39   -40    44  -0.07550 -1.0 2.0
   50    39   -40    44   0.20000  1.0 3.0
   50    39    40    47   0.62750  1.0 1.0
   50    39    40    47  -0.30950 -1.0 2.0
   50    39    40    47   0.27300  1.0 3.0
   50    39    42    43  -0.11600  1.0 1.0
   50    39    42    43  -0.09450 -1.0 2.0
   50    39    42    43   0.21250  1.0 3.0
   50    48    51    57  -0.25900  1.0 1.0
   50    48    51    57  -0.47000 -1.0 2.0
   50    48    51    57   0.11750  1.0 3.0
   50    52    59    60   0.15000  1.0 3.0
   50    52    59    61   0.15000  1.0 3.0
   50    52    59    68  -0.95700  1.0 1.0
   50    52    59    68  -0.18200 -1.0 2.0
   50    52    59    68   0.29450  1.0 3.0
   50    52    83    77   0.34400  1.0 1.0
   50    52    83    77   0.09450 -1.0 2.0
   50    52    83    77   0.11100  1.0 3.0
   50    52    83    84   0.15000  1.0 3.0
   50    52   -83    47   0.62750  1.0 1.0
   50    52   -83    47  -0.30950 -1.0 2.0
   50    52   -83    47   0.27300  1.0 3.0
   50    52    62    63   0.15000  1.0 3.0
   50    52    62    64   0.15000  1.0 3.0
   50    52    62    65   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   52    59    68    69   0.30150 -1.0 2.0
   52    59    68    72   0.65300  1.0 1.0
   52    59    68    72  -0.03850 -1.0 2.0
   52    59    68    72   0.33900  1.0 3.0
   52    83   -47    40   0.06250  1.0 1.0
   52    83   -47    40  -0.01100 -1.0 2.0
   52    83   -47    40   0.28050  1.0 3.0
   59    52    83    77   0.34400  1.0 1.0
   59    52    83    77   0.09450 -1.0 2.0
   59    52    83    77   0.11100  1.0 3.0
   59    52    83    84   0.15000  1.0 3.0
   59    52    83    47   0.62750  1.0 1.0
   59    52    83    47  -0.30950 -1.0 2.0
   59    52    83    47   0.27300  1.0 3.0
   59    52    62    63   0.15000  1.0 3.0
   59    52    62    64   0.15000  1.0 3.0
   59    52    62    65   0.15000  1.0 3.0
   59    68   -72    77  -0.33500  1.0 1.0
   59    68   -72    77   1.06600 -1.0 2.0
   59    68   -72    77  -0.14000  1.0 3.0
   59    68    72    79   0.25700  1.0 1.0
   59    68    72    79   0.66200 -1.0 2.0
   59    68    72    79   0.04450  1.0 3.0
   60    59    68    69   0.00000  1.0 1.0
   60    59    68    72   0.00000  1.0 1.0
   61    59    68    69   0.00000  1.0 1.0
   61    59    68    72   0.00000  1.0 1.0
   68    72    77    78   7.00000 -1.0 2.0
   68    72    77    83   7.00000 -1.0 2.0
   68    72    79    80   0.15000  1.0 3.0
   68    72    79    81   0.15000  1.0 3.0
   68    72    79    82   0.15000  1.0 3.0
   69    68    72    77   1.00000 -1.0 2.0
   69    68    72    79  -0.64400  1.0 1.0
   69    68    72    79   0.26850 -1.0 2.0
   72    77   -83    52   0.09850  1.0 1.0
   72    77   -83    52   0.15250 -1.0 2.0
   72    77   -83    52  -0.50650  1.0 3.0
   72    77    83    84   0.00000  1.0 1.0
   72    77    83    47   0.39000  1.0 1.0
   72    77    83    47  -0.05800 -1.0 2.0
   72    77    83    47  -0.55150  1.0 3.0
   77    72    79    80   0.00000  1.0 1.0
   77    72    79    81   0.00000  1.0 1.0
   77    72    79    82   0.00000  1.0 1.0
   77    83    47    40  -0.77900  1.0 1.0
   77    83    47    40  -0.36900 -1.0 2.0
   77    83    47    40   0.40400  1.0 3.0
   78    77    83    52   0.00000  1.0 1.0
   78    77    83    84   0.33100  1.0 3.0
   78    77    83    47   0.00000  1.0 1.0
   83    52    59    60   0.15000  1.0 3.0
   83    52    59    61   0.15000  1.0 3.0
   83    52   -59    68  -0.95700  1.0 1.0
   83    52   -59    68  -0.18200 -1.0 2.0
   83    52   -59    68   0.29450  1.0 3.0
   83    52    62    63   0.15000  1.0 3.0
   83    52    62    64   0.15000  1.0 3.0
   83    52    62    65   0.15000  1.0 3.0
   84    83    47    40   0.37050  1.0 3.0
   47    40    44    45   0.23400  1.0 3.0
   47    40    44    46   0.23400  1.0 3.0
   47    40    44    48   0.62750  1.0 1.0
   47    40    44    48  -0.30950 -1.0 2.0
   47    40    44    48   0.27300  1.0 3.0
   79    72    77    78   7.00000 -1.0 2.0
   79    72    77    83   7.00000 -1.0 2.0
   62    52    59    60   0.15000  1.0 3.0
   62    52    59    61   0.15000  1.0 3.0
   62    52    59    68  -0.95700  1.0 1.0
   62    52    59    68  -0.18200 -1.0 2.0
   62    52    59    68   0.29450  1.0 3.0
   62    52    83    77   0.34400  1.0 1.0
   62    52    83    77   0.09450 -1.0 2.0
   62    52    83    77   0.11100  1.0 3.0
   62    52    83    84   0.15000  1.0 3.0
   62    52    83    47   0.62750  1.0 1.0
   62    52    83    47  -0.30950 -1.0 2.0
   62    52    83    47   0.27300  1.0 3.0
   53    50    52    59   0.56750  1.0 1.0
   53    50    52    59  -0.07550 -1.0 2.0
   53    50    52    59   0.20000  1.0 3.0
   53    50    52    83   0.56750  1.0 1.0
   53    50    52    83  -0.07550 -1.0 2.0
   53    50    52    83   0.20000  1.0 3.0
   53    50    52    62   0.56750  1.0 1.0
   53    50    52    62  -0.07550 -1.0 2.0
   53    50    52    62   0.20000  1.0 3.0
   51    48    50    39   0.62750  1.0 1.0
   51    48    50    39  -0.30950 -1.0 2.0
   51    48    50    39   0.27300  1.0 3.0
   51    48    50    52   0.62750  1.0 1.0
   51    48    50    52  -0.30950 -1.0 2.0
   51    48    50    52   0.27300  1.0 3.0
   51    48    50    53   0.62750  1.0 1.0
   51    48    50    53  -0.30950 -1.0 2.0
   51    48    50    53   0.27300  1.0 3.0
   51    57    66    67   1.63100 -1.0 2.0
   51    57    66    70  -0.56150  1.0 1.0
   51    57    66    70   2.19150 -1.0 2.0
   57    66    70    71   7.00000 -1.0 2.0
   57    66    70    73   7.00000 -1.0 2.0
   58    57    66    67   0.00000  1.0 1.0
   58    57    66    70   1.00000 -1.0 2.0
   66    70    73    74   0.00000  1.0 1.0
   66    70    73    75   0.00000  1.0 1.0
   66    70    73    76   0.00000  1.0 1.0
   67    66    70    71   7.00000 -1.0 2.0
   67    66    70    73   7.00000 -1.0 2.0
   71    70    73    74   0.33100  1.0 3.0
   71    70    73    75   0.33100  1.0 3.0
   71    70    73    76   0.33100  1.0 3.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    47   3.69350  1.0 1.0
   42    39    40    47  -1.82950 -1.0 2.0
   42    39    50    48   0.86500  1.0 1.0
   42    39    50    48  -0.17500 -1.0 2.0
   42    39    50    48   0.20800  1.0 3.0
   42    39    50    52   0.86500  1.0 1.0
   42    39    50    52  -0.17500 -1.0 2.0
   42    39    50    52   0.20800  1.0 3.0
   42    39    50    53   0.86500  1.0 1.0
   42    39    50    53  -0.17500 -1.0 2.0
   42    39    50    53   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   59    72    68    69  10.50000 -1.0 2.0
   68    79    72    77   1.10000 -1.0 2.0
   83    78    77    72   1.10000 -1.0 2.0
   51    66    57    58  10.50000 -1.0 2.0
   57    67    66    70  15.00000 -1.0 2.0
   73    71    70    66  15.00000 -1.0 2.0
END
