* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    161    250     471
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02034    93.27258   -63.47604
    3     1 S   H    _H1_     3     1.02060    87.12227    45.06386
    4     1 S   H    _H2_     4     1.02125    33.22287   176.66581
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C17    36     1.85022    97.27943  -178.14829
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C18    37     1.54346   108.78674  -180.00000
   38    37 S   HC   _H18    38     1.09226   112.20041    62.94577
   39    33 S   OS   _O37    80     1.44057   107.01835    65.57333
   40    37 S   CO4  _C19    39     1.52011   111.14423  -175.97182
   41    40 S   O    _O35    40     1.23147   121.85920   157.84729
   42    37 S   OS   _O36    75     1.42376   110.93425   -58.19544
   43    39 S   CT   _C22    81     1.41481   110.82014    36.10432
   44    43 S   HC   _H24    82     1.09254   109.47086   179.97202
   45    43 S   HC   _H25    83     1.09289   109.51483    59.22414
   46    43 S   HC   _H26    84     1.09212   108.98890   -60.39826
   47    40 S   CT   _C20    41     1.51281   117.20148   -19.99521
   48    47 S   HC   _H19    42     1.09659   107.02003    83.74443
   49    47 S   HC   _H20    43     1.09201   107.69754  -163.92371
   50    42 S   CT   _C21    76     1.42038   111.45839   159.13585
   51    50 S   HC   _H21    77     1.09260   109.55158  -179.96044
   52    50 S   HC   _H22    78     1.09308   109.46043    59.24099
   53    50 S   HC   _H23    79     1.09292   109.02149   -60.32929
   54    47 S   CT   _C11    44     1.55059   111.01330   -38.34313
   55    54 S   CA   _C9_    45     1.53791   109.41993   -69.16905
   56    54 S   CT   _C12    72     1.54201   109.32148   171.17995
   57    56 S   HC   _H9_    73     1.09789   111.29970   158.92957
   58    56 S   HC   _H10    74     1.09433   113.71580    37.29700
   59    55 S   CA   _C8_    46     1.40819   122.12320   124.60708
   60    59 S   CA   _C7_    47     1.40534   120.07818  -177.07310
   61    60 S   HA   _H7_    48     1.08768   120.15519   178.86099
   62    59 S   CT   _C16    60     1.50213   121.62737     3.03448
   63    62 S   HC   _H16    61     1.09747   109.39464   144.23664
   64    62 S   HC   _H17    62     1.09261   110.08041   -98.72859
   65    60 S   CA   _C6_    49     1.39213   120.89123    -2.09630
   66    65 S   HA   _H6_    50     1.08591   119.79137  -179.38356
   67    62 S   CT   _C15    63     1.51860   110.65327    25.52360
   68    67 S   HC   _H14    64     1.10147   107.49630    64.22694
   69    67 S   HC   _H15    65     1.09592   109.69073   176.91390
   70    65 S   CA   _C5_    51     1.38806   119.64725    -0.11191
   71    33 S   CT   _C14    66     1.59055   113.83554   -54.56827
   72    55 S   CA   _C10    52     1.41054   120.05236   -55.79299
   73    70 S   OS   _O33    55     1.36227   119.24848  -178.66514
   74    71 S   NTH  _N4_    67     1.49089   109.22743    83.72771
   75    74 S   H    _H13    68     1.01692   111.93187    -4.98613
   76    72 S   OH   _O34    53     1.36766   122.05831    -5.11952
   77    76 S   HO   _H8_    54     0.96792   109.95237    -0.05595
   78    73 S   CT   _C4_    56     1.42558   117.02288   -90.37772
   79    78 S   HC   _H3_    57     1.09288   109.49877   179.94405
   80    78 S   HC   _H4_    58     1.09357   109.54898    59.24156
   81    78 S   HC   _H5_    59     1.09203   109.03929   -60.40275
   82    74 S   CT   _C13    69     1.45868   109.20565   117.78323
   83    82 S   HC   _H11    70     1.09537   110.17119   -93.44022
   84    82 S   HC   _H12    71     1.09344   111.12388   147.01841
  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
  23   2   1   1  17   7  10  10   5   6   4   2   1   1  13   5
   4   3   2   1   1  19  19  11   6   5  14  10   4   9   5   4
   6   3   6   3   2   8   6   4   5   4   3   1   1   3   2   1
   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    71    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    54    67    71    74    42    39    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    47    54    55    62    67    68    69    71    74    75    82    56    42    50    39    43    44    45    46  
   35    36  
   36  
    0  
   38    40    41    47    48    49    54    67    71    74    42    50    51    52    53    39    43  
   40    41    47    71    42    50    39  
   43    44    45    46    40    42    54    67    71    74  
   41    47    48    49    54    55    71    56    42    50  
   47    48    49    54    42  
   50    51    52    53    47    71  
   44    45    46    71  
   45    46  
   46  
    0  
   48    49    54    55    59    72    67    71    74    82    56    57    58  
   49    54    55    71    56  
   54    55    71    56  
   51    52    53  
   52    53  
   53  
    0  
   55    59    60    70    72    76    62    67    68    69    71    74    75    82    83    84    56    57    58  
   59    60    61    65    70    72    76    77    73    62    63    64    67    71    74    82    56    57    58  
   57    58    59    67    71    72    74    75    82    83    84  
   58    71    74    82    83    84  
   71    74    82    83    84  
   60    61    65    66    70    72    76    62    63    64    67    68    69    71  
   61    65    66    70    72    73    62    63    64    67  
   65    66    70    62  
   63    64    67    68    69    71    74    65    72  
   64    67    68    69    71  
   67    68    69    71  
   66    70    72    76    73    78  
   70    72    73  
   68    69    71    74    75    82  
   69    71    74  
   71    74  
   72    76    77    73    78    79    80    81  
   74    75    82    83    84    72  
   76    77    73    78  
   78    79    80    81    76  
   75    82    83    84  
   82    83    84  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
   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  -0.316400   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   0.348900   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   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   75   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0150   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    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   268.000  1.529
   33    71   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.090
   37    40   317.000  1.522
   37    42   320.000  1.410
   40    41   570.000  1.229
   40    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   317.000  1.510
   54    71   268.000  1.529
   54    56   268.000  1.529
   55    59   469.000  1.400
   55    72   469.000  1.400
   59    60   469.000  1.400
   59    62   317.000  1.510
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    72   469.000  1.400
   70    73   450.000  1.364
   72    76   450.000  1.364
   76    77   553.000  0.945
   73    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   268.000  1.529
   71    74   305.000  1.454
   74    75   500.000  1.015
   74    82   305.000  1.454
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   42    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   39    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  111.63000
   29    33    71    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    40    63.00000  111.10000
   33    37    42    50.00000  109.50000
   33    71    54    58.35000  112.70000
   33    71    67    58.35000  112.70000
   33    71    74    80.00000  111.29100
   33    39    43    60.00000  109.50000
   37    40    41    80.00000  120.40000
   37    40    47    70.00000  116.00000
   37    42    50    60.00000  109.50000
   40    37    38    35.00000  109.50000
   40    47    48    35.00000  109.50000
   40    47    49    35.00000  109.50000
   40    47    54    63.00000  111.10000
   47    40    41    80.00000  120.40000
   47    54    55    70.00000  112.17500
   47    54    71    58.35000  112.70000
   47    54    56    58.35000  112.70000
   49    47    48    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    55    59    70.00000  120.00000
   54    55    72    70.00000  120.00000
   54    71    67    58.35000  112.70000
   54    71    74    80.00000  111.29100
   54    56    82    58.35000  112.70000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   55    59    60    63.00000  120.00000
   55    59    62    70.00000  120.00000
   55    72    70    63.00000  120.00000
   55    72    76    70.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    65    63.00000  120.00000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    67    70.00000  112.17500
   60    65    66    35.00000  120.00000
   60    65    70    63.00000  120.00000
   65    60    61    35.00000  120.00000
   65    70    72    63.00000  120.00000
   65    70    73    70.00000  120.00000
   70    65    66    35.00000  120.00000
   70    72    76    70.00000  120.00000
   70    73    78    75.00000  111.00000
   72    55    59    63.00000  120.00000
   72    76    77    35.00000  113.00000
   73    70    72    70.00000  120.00000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   62    59    60    70.00000  120.00000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    71    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    71    74    80.00000  111.29100
   69    67    68    33.00000  107.80000
   71    33    37    58.35000  112.70000
   71    54    55    70.00000  112.17500
   71    67    68    37.50000  110.70000
   71    67    69    37.50000  110.70000
   71    74    75    50.00000  109.23200
   71    74    82    75.00000  112.02600
   74    82    83    50.00000  110.59500
   74    82    84    50.00000  110.59500
   74    82    56    80.00000  111.29100
   82    74    75    50.00000  109.23200
   82    56    57    37.50000  110.70000
   82    56    58    37.50000  110.70000
   84    82    83    33.00000  107.80000
   56    54    55    70.00000  112.17500
   56    54    71    58.35000  112.70000
   56    82    83    37.50000  110.70000
   56    82    84    37.50000  110.70000
   58    56    57    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    40    90.00000  108.74100
   42    50    51    35.00000  109.50000
   42    50    52    35.00000  109.50000
   42    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   39    33    37    50.00000  109.50000
   39    33    71    50.00000  109.50000
   39    43    44    35.00000  109.50000
   39    43    45    35.00000  109.50000
   39    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    71   0.01700  1.0 1.0
   24    29    33    71  -0.23550 -1.0 2.0
   24    29    33    71   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.15000  1.0 3.0
   29    33    37    40   0.56750  1.0 1.0
   29    33    37    40  -0.07550 -1.0 2.0
   29    33    37    40   0.20000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    71    54   0.44750  1.0 1.0
   29    33    71    54  -0.17800 -1.0 2.0
   29    33    71    54   0.20200  1.0 3.0
   29    33    71    67   0.44750  1.0 1.0
   29    33    71    67  -0.17800 -1.0 2.0
   29    33    71    67   0.20200  1.0 3.0
   29    33    71    74   0.56750  1.0 1.0
   29    33    71    74  -0.07550 -1.0 2.0
   29    33    71    74   0.20000  1.0 3.0
   29    33    39    43   0.14700  1.0 1.0
   29    33    39    43  -1.16150 -1.0 2.0
   29    33    39    43   0.48700  1.0 3.0
   33    37    40    41   0.30150 -1.0 2.0
   33    37    40    47   0.60050  1.0 1.0
   33    37    40    47   0.05600 -1.0 2.0
   33    37    40    47   0.26150  1.0 3.0
   33    37    42    50   0.06250  1.0 1.0
   33    37    42    50  -0.01100 -1.0 2.0
   33    37    42    50   0.28050  1.0 3.0
   33    71    74    75   0.03200  1.0 1.0
   33    71    74    75   0.33800 -1.0 2.0
   33    71    74    82  -0.35450  1.0 1.0
   33    71    74    82   0.44050 -1.0 2.0
   33    71    74    82   0.77100  1.0 3.0
   33    39    43    44   0.37050  1.0 3.0
   33    39    43    45   0.37050  1.0 3.0
   33    39    43    46   0.37050  1.0 3.0
   37    33    71    54   0.56750  1.0 1.0
   37    33    71    54  -0.07550 -1.0 2.0
   37    33    71    54   0.20000  1.0 3.0
   37    33    71    67   0.56750  1.0 1.0
   37    33    71    67  -0.07550 -1.0 2.0
   37    33    71    67   0.20000  1.0 3.0
   37    33    71    74   1.53400  1.0 1.0
   37    33    71    74  -0.09950 -1.0 2.0
   37    33    71    74   0.05700  1.0 3.0
   37    33    39    43   0.06250  1.0 1.0
   37    33    39    43  -0.01100 -1.0 2.0
   37    33    39    43   0.28050  1.0 3.0
   37    40    47    48   0.00000  1.0 1.0
   37    40    47    49   0.00000  1.0 1.0
   37    40   -47    54   0.60050  1.0 1.0
   37    40   -47    54   0.05600 -1.0 2.0
   37    40   -47    54   0.26150  1.0 3.0
   37    42    50    51   0.37050  1.0 3.0
   37    42    50    52   0.37050  1.0 3.0
   37    42    50    53   0.37050  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    47   0.00000  1.0 1.0
   38    37    42    50   0.37050  1.0 3.0
   40    37    42    50  -1.11000  1.0 1.0
   40    37    42    50   0.50250 -1.0 2.0
   40    37    42    50   0.47450  1.0 3.0
   40    47    54    55   0.56750  1.0 1.0
   40    47    54    55  -0.07550 -1.0 2.0
   40    47    54    55   0.20000  1.0 3.0
   40    47    54    71  -0.95700  1.0 1.0
   40    47    54    71  -0.18200 -1.0 2.0
   40    47    54    71   0.29450  1.0 3.0
   40    47    54    56  -0.95700  1.0 1.0
   40    47    54    56  -0.18200 -1.0 2.0
   40    47    54    56   0.29450  1.0 3.0
   41    40    47    48   0.00000  1.0 1.0
   41    40    47    49   0.00000  1.0 1.0
   41    40    47    54   0.30150 -1.0 2.0
   47    54    55    59   0.04150 -1.0 2.0
   47    54    55    72   0.04150 -1.0 2.0
   47    54   -71    33   0.56750  1.0 1.0
   47    54   -71    33  -0.07550 -1.0 2.0
   47    54   -71    33   0.20000  1.0 3.0
   47    54    71    67   0.56750  1.0 1.0
   47    54    71    67  -0.07550 -1.0 2.0
   47    54    71    67   0.20000  1.0 3.0
   47    54    71    74   1.53400  1.0 1.0
   47    54    71    74  -0.09950 -1.0 2.0
   47    54    71    74   0.05700  1.0 3.0
   47    54    56    82   0.56750  1.0 1.0
   47    54    56    82  -0.07550 -1.0 2.0
   47    54    56    82   0.20000  1.0 3.0
   47    54    56    57   0.15000  1.0 3.0
   47    54    56    58   0.15000  1.0 3.0
   48    47    54    55   0.43200  1.0 3.0
   48    47    54    71   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   49    47    54    55   0.43200  1.0 3.0
   49    47    54    71   0.15000  1.0 3.0
   49    47    54    56   0.15000  1.0 3.0
   54    55    59    60   3.62500 -1.0 2.0
   54    55    59    62   3.62500 -1.0 2.0
   54    55    72    70   3.62500 -1.0 2.0
   54    55    72    76   3.62500 -1.0 2.0
   54    71    74    75   0.03200  1.0 1.0
   54    71    74    75   0.33800 -1.0 2.0
   54    71   -74    82  -0.35450  1.0 1.0
   54    71   -74    82   0.44050 -1.0 2.0
   54    71   -74    82   0.77100  1.0 3.0
   55    54    71    33  -0.03700  1.0 1.0
   55    54    71    33   0.37200 -1.0 2.0
   55    54    71    33  -0.47300  1.0 3.0
   55    54    71    67  -0.03700  1.0 1.0
   55    54    71    67   0.37200 -1.0 2.0
   55    54    71    67  -0.47300  1.0 3.0
   55    54    71    74   0.83750  1.0 1.0
   55    54    71    74   0.32200 -1.0 2.0
   55    54    71    74   0.70600  1.0 3.0
   55    54    56    82  -0.03700  1.0 1.0
   55    54    56    82   0.37200 -1.0 2.0
   55    54    56    82  -0.47300  1.0 3.0
   55    54    56    57   0.43200  1.0 3.0
   55    54    56    58   0.43200  1.0 3.0
   55    59    60    61   3.62500 -1.0 2.0
   55    59    60    65   3.62500 -1.0 2.0
   55    59    62    63   0.00000  1.0 1.0
   55    59    62    64   0.00000  1.0 1.0
   55    59   -62    67   0.04150 -1.0 2.0
   55    72    76    77   0.84100 -1.0 2.0
   59    55    72    70   3.62500 -1.0 2.0
   59    55    72    76   3.62500 -1.0 2.0
   59    60    65    66   3.62500 -1.0 2.0
   59    60   -65    70   3.62500 -1.0 2.0
   59    62    67    68   0.43200  1.0 3.0
   59    62    67    69   0.43200  1.0 3.0
   59    62    67    71  -0.03700  1.0 1.0
   59    62    67    71   0.37200 -1.0 2.0
   59    62    67    71  -0.47300  1.0 3.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    64   0.00000  1.0 1.0
   60    59    62    67   0.04150 -1.0 2.0
   60    65    70    72   3.62500 -1.0 2.0
   60    65    70    73   3.62500 -1.0 2.0
   61    60    65    66   3.62500 -1.0 2.0
   61    60    65    70   3.62500 -1.0 2.0
   65    70   -72    55   3.62500 -1.0 2.0
   65    70    72    76   3.62500 -1.0 2.0
   65    70    73    78   1.63200 -1.0 2.0
   66    65    70    72   3.62500 -1.0 2.0
   66    65    70    73   3.62500 -1.0 2.0
   70    72    76    77   0.84100 -1.0 2.0
   70    73    78    79   0.08050  1.0 3.0
   70    73    78    80   0.08050  1.0 3.0
   70    73    78    81   0.08050  1.0 3.0
   72    55   -59    60   3.62500 -1.0 2.0
   72    55    59    62   3.62500 -1.0 2.0
   72    70    73    78   1.63200 -1.0 2.0
   73    70    72    55   3.62500 -1.0 2.0
   73    70    72    76   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    65   3.62500 -1.0 2.0
   62    67    71    33   0.56750  1.0 1.0
   62    67    71    33  -0.07550 -1.0 2.0
   62    67    71    33   0.20000  1.0 3.0
   62    67   -71    54   0.56750  1.0 1.0
   62    67   -71    54  -0.07550 -1.0 2.0
   62    67   -71    54   0.20000  1.0 3.0
   62    67    71    74   1.53400  1.0 1.0
   62    67    71    74  -0.09950 -1.0 2.0
   62    67    71    74   0.05700  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    71   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    71   0.15000  1.0 3.0
   67    71    74    75   0.03200  1.0 1.0
   67    71    74    75   0.33800 -1.0 2.0
   67    71    74    82  -0.35450  1.0 1.0
   67    71    74    82   0.44050 -1.0 2.0
   67    71    74    82   0.77100  1.0 3.0
   68    67    71    33   0.15000  1.0 3.0
   68    67    71    54   0.15000  1.0 3.0
   68    67    71    74   0.15000  1.0 3.0
   69    67    71    33   0.15000  1.0 3.0
   69    67    71    54   0.15000  1.0 3.0
   69    67    71    74   0.15000  1.0 3.0
   71    33    37    38   0.15000  1.0 3.0
   71    33   -37    40  -0.95700  1.0 1.0
   71    33   -37    40  -0.18200 -1.0 2.0
   71    33   -37    40   0.29450  1.0 3.0
   71    33    37    42   0.62750  1.0 1.0
   71    33    37    42  -0.30950 -1.0 2.0
   71    33    37    42   0.27300  1.0 3.0
   71    33    39    43   0.06250  1.0 1.0
   71    33    39    43  -0.01100 -1.0 2.0
   71    33    39    43   0.28050  1.0 3.0
   71    54   -55    59   0.04150 -1.0 2.0
   71    54    55    72   0.04150 -1.0 2.0
   71    54   -56    82   0.56750  1.0 1.0
   71    54   -56    82  -0.07550 -1.0 2.0
   71    54   -56    82   0.20000  1.0 3.0
   71    54    56    57   0.15000  1.0 3.0
   71    54    56    58   0.15000  1.0 3.0
   71    74    82    83   0.28000  1.0 3.0
   71    74    82    84   0.28000  1.0 3.0
   71    74   -82    56  -0.35450  1.0 1.0
   71    74   -82    56   0.44050 -1.0 2.0
   71    74   -82    56   0.77100  1.0 3.0
   74    82   -56    54   1.53400  1.0 1.0
   74    82   -56    54  -0.09950 -1.0 2.0
   74    82   -56    54   0.05700  1.0 3.0
   74    82    56    57   0.15000  1.0 3.0
   74    82    56    58   0.15000  1.0 3.0
   75    74    82    83   0.20000  1.0 3.0
   75    74    82    84   0.20000  1.0 3.0
   75    74    82    56   0.03200  1.0 1.0
   75    74    82    56   0.33800 -1.0 2.0
   83    82    56    54   0.15000  1.0 3.0
   83    82    56    57   0.15000  1.0 3.0
   83    82    56    58   0.15000  1.0 3.0
   84    82    56    54   0.15000  1.0 3.0
   84    82    56    57   0.15000  1.0 3.0
   84    82    56    58   0.15000  1.0 3.0
   56    54    55    59   0.04150 -1.0 2.0
   56    54    55    72   0.04150 -1.0 2.0
   56    54    71    33   0.56750  1.0 1.0
   56    54    71    33  -0.07550 -1.0 2.0
   56    54    71    33   0.20000  1.0 3.0
   56    54    71    67   0.56750  1.0 1.0
   56    54    71    67  -0.07550 -1.0 2.0
   56    54    71    67   0.20000  1.0 3.0
   56    54   -71    74   1.53400  1.0 1.0
   56    54   -71    74  -0.09950 -1.0 2.0
   56    54   -71    74   0.05700  1.0 3.0
   42    37    40    41   0.30150 -1.0 2.0
   42    37    40    47   0.55300  1.0 1.0
   42    37    40    47   1.25850 -1.0 2.0
   42    37    40    47  -0.23600  1.0 3.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    40  -0.09450  1.0 1.0
   39    33    37    40  -1.12950 -1.0 2.0
   39    33    37    40   0.54000  1.0 3.0
   39    33    37    42   1.11900  1.0 1.0
   39    33    37    42  -1.16350 -1.0 2.0
   39    33    37    42  -0.34150  1.0 3.0
   39    33    71    54   0.62750  1.0 1.0
   39    33    71    54  -0.30950 -1.0 2.0
   39    33    71    54   0.27300  1.0 3.0
   39    33    71    67   0.62750  1.0 1.0
   39    33    71    67  -0.30950 -1.0 2.0
   39    33    71    67   0.27300  1.0 3.0
   39    33    71    74   2.34900  1.0 1.0
   39    33    71    74  -0.83700 -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
   35    30    34    36  10.50000 -1.0 2.0
   37    47    40    41  10.50000 -1.0 2.0
   59    72    55    54   4.00000 -1.0 2.0
   60    62    59    55   4.00000 -1.0 2.0
   65    61    60    59   1.10000 -1.0 2.0
   70    66    65    60   1.10000 -1.0 2.0
   72    73    70    65   4.00000 -1.0 2.0
   70    76    72    55   4.00000 -1.0 2.0
END
