* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    160    250     471
    1     0 S   NP   _N1_     1    29.99590    97.84985   -14.99725
    2     1 S   H    _HN1     2     1.02778    53.00589  -101.02468
    3     1 S   H    _H1_     3     1.02957    84.60453    16.75991
    4     1 S   H    _H2_     4     1.02837    70.78193   126.95322
    5     1 S   CT   _CA1     5     1.50095   162.77369  -134.83719
    6     5 S   HC   _HA1     6     1.09571   105.29943   -32.65448
    7     5 S   CO3  _C1_     7     1.53949   112.21845  -152.92787
    8     7 S   O2Z  _O11     8     1.26364   115.01904   -46.65240
    9     7 S   O2Z  _O12     9     1.26259   114.89390   132.48268
   10     5 S   CT   _CB1    10     1.53112   107.41319    85.26296
   11    10 S   HC   HB11    11     1.09812   109.65611   -50.29813
   12    10 S   HC   HB12    12     1.09801   110.26198    66.22239
   13    10 S   CT   _CG1    13     1.52974   112.47905  -171.36148
   14    13 S   HC   HG11    14     1.09361   110.30592   -54.87055
   15    13 S   HC   HG12    15     1.09610   110.20492    63.91320
   16    13 S   C    _CD1    16     1.51781   112.10013  -175.96444
   17    16 S   O    _OE1    17     1.22761   122.94844   -22.16109
   18    16 S   N    _N2_    18     1.38511   111.91167   158.90700
   19    18 S   H    _HN2    19     1.01585   118.94049     4.31643
   20    18 S   CT1  _CA2    20     1.45645   123.18860   176.41767
   21    20 S   HC   _HA2    21     1.09706   109.19671    15.58545
   22    20 S   C    _C2_    22     1.52916   106.48811  -101.12675
   23    22 S   O    _O2_    23     1.22988   122.98476   -28.24708
   24    20 S   CT   _CB2    32     1.53188   112.52072   139.11029
   25    24 S   HC   HB21    33     1.09460   111.23658    51.63032
   26    24 S   HC   HB22    34     1.09574   109.75283   169.21988
   27    22 S   N    _N3_    24     1.38486   112.62413   154.50672
   28    27 S   H    _HN3    25     1.01654   120.38487    -1.97596
   29    24 S   S    _SG2    35     1.82890   112.03069   -73.11885
   30    27 S   CT   _CA3    26     1.45361   122.46464   178.61945
   31    30 S   HC   HA31    27     1.09566   107.76545   -56.86854
   32    30 S   HC   HA32    28     1.09564   107.64808    59.45759
   33    29 S   CT   _C21    36     1.87652   101.13747    97.40589
   34    33 S   HC   _H6_    37     1.08748   103.23900   -24.85307
   35    30 S   CO3  _C3_    29     1.52889   114.33833  -178.73174
   36    35 S   O2Z  _O31    30     1.26335   116.06419     0.32746
   37    35 S   O2Z  _O32    31     1.26439   114.41045  -179.69481
   38    33 S   CT   _C20    38     1.54742   109.51538    91.14579
   39    38 S   HC   _H5_    39     1.09682   109.22922  -177.25740
   40    38 S   CO4  _C19    40     1.52662   108.71800    66.18479
   41    40 S   O    _O35    41     1.22968   123.03806  -128.15891
   42    38 S   OS   _O36    79     1.42088   110.47121   -58.01066
   43    40 S   CT   _C18    42     1.51101   115.54178    55.75932
   44    43 S   HC   _H22    43     1.09374   106.58766    73.09278
   45    43 S   HC   _H23    44     1.09615   108.62056  -171.51721
   46    42 S   CT   _C22    80     1.42136   113.27058  -153.61246
   47    46 S   HC   _H24    81     1.09329   108.23488  -177.26519
   48    46 S   HC   _H25    82     1.09432   110.26865    64.28921
   49    46 S   HC   _H26    83     1.09359   111.19956   -58.08646
   50    43 S   CT   _C17    45     1.54181   111.35602   -50.88148
   51    50 S   HC   _H4_    46     1.09980   105.92010   -68.70577
   52    50 S   CT   _C16    47     1.53994   112.49624   175.17850
   53    52 S   HC   _H3_    48     1.09868   107.69753    55.13848
   54    33 S   CT   _C7_    60     1.58783   113.54088  -144.78223
   55    52 S   CT   _C15    49     1.53755   109.70980   -61.75719
   56    55 S   HC   _H20    50     1.09578   110.59783  -164.28525
   57    55 S   HC   _H21    51     1.09840   108.50149    80.46619
   58    54 S   CT   _C6_    61     1.55901   111.68084    53.74584
   59    58 S   HC   _H12    62     1.09504   110.41269    67.19854
   60    58 S   HC   _H13    63     1.09534   110.85200   -50.25455
   61    52 S   NT   _N4_    67     1.47916   108.77589   170.47744
   62    55 S   CA   _C9_    52     1.51255   115.01235   -39.89866
   63    58 S   CT   _C5_    64     1.53511   113.50636  -170.32807
   64    63 S   HC   _H10    65     1.09763   107.52390   170.14623
   65    63 S   HC   _H11    66     1.09630   110.67902   -74.53795
   66    61 S   CT   _C4_    68     1.45972   113.39384  -170.48345
   67    66 S   HC   _H7_    69     1.09548   110.91501    51.09094
   68    66 S   HC   _H8_    70     1.09468   112.86848   -70.91618
   69    66 S   HC   _H9_    71     1.09594   110.15646   168.62454
   70    62 S   CA   _C10    53     1.40749   116.36894  -172.23191
   71    70 S   HA   _H14    54     1.08837   119.93319    -2.08319
   72    70 S   CA   _C11    55     1.39074   121.33233   176.99926
   73    72 S   HA   _H15    56     1.08475   118.20302  -179.96574
   74    72 S   CA   _C12    57     1.38839   119.47291    -1.14569
   75    74 S   CA   _C13    58     1.40863   119.37797     1.77012
   76    74 S   OS   _O34    74     1.37236   125.12605  -178.48251
   77    62 S   CA   _C8_    59     1.41732   123.09723     7.15692
   78    75 S   OH   _O33    72     1.37160   117.12385  -176.54600
   79    78 S   HO   _H16    73     0.97490   107.49870     6.32815
   80    76 S   CT   _C14    75     1.42249   116.88954     9.26402
   81    80 S   HC   _H17    76     1.09426   107.73049   174.91670
   82    80 S   HC   _H18    77     1.09517   111.30699    57.08241
   83    80 S   HC   _H19    78     1.09476   110.97340   -67.43900
  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  10   5   4   3
  19   8   2   1   1  15   6  10   5   6  11   5   4   3   2   1
   1  16   7  17   8  14  11   5   4  10   6   5   8   8   7   2
   1   3   2   1   1   7   4   7   3   9   5   6   2   1   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    77    54    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    52    62    75    77    54    58    59    60    63    42    46  
   38    39    40    50    77    54    58    42  
   36    37  
   37  
    0  
   39    40    41    43    44    45    50    77    54    58    42    46    47    48    49  
   40    41    43    54    42    46  
   41    43    44    45    50    51    52    54    42    46  
   43    44    45    50    42  
   46    47    48    49    43    54  
   44    45    50    51    52    53    55    77    54    58    61  
   45    50    51    52    54  
   50    51    52    54  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    55    56    57    62    75    77    54    58    59    60    63    61    66  
   52    53    55    77    54    58    61  
   53    55    56    57    62    70    77    54    58    63    64    65    61    66    67    68    69  
   55    56    57    62    54    63    61    66  
   58    59    60    63    64    65    61    78    55    62    70    74    75    77  
   56    57    62    70    71    72    75    77    63    61    66  
   57    62    70    77    61  
   62    70    77    61  
   59    60    63    64    65    61    66    62    75    77  
   60    63    64    65    61    77  
   63    64    65    61    77  
   66    67    68    69    62    63    64    65  
   70    71    72    73    74    75    77    78  
   64    65    66    67    68    69    77  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    77    76  
   72    73    74    77  
   73    74    75    77    78    76    80  
   74    75    76  
   75    77    78    79    76    80    81    82    83  
   77    78    79    76    80  
   80    81    82    83    77    78  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    61   382.000  1.448
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   317.000  1.510
   62    70   469.000  1.400
   62    77   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    76   450.000  1.364
   75    77   469.000  1.400
   75    78   450.000  1.364
   77    54   317.000  1.510
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    61   382.000  1.448
   61    66   382.000  1.448
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   78    79   553.000  0.945
   76    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   42    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    54    50    58.35000  112.70000
   33    54    77    70.00000  112.17500
   33    54    58    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    46    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    50    51    37.50000  110.70000
   43    50    52    58.35000  112.70000
   43    50    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    52    61    56.20000  109.47000
   50    54    77    70.00000  112.17500
   50    54    58    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    62    70.00000  112.17500
   52    61    63    51.80000  107.20000
   52    61    66    51.80000  107.20000
   55    52    53    37.50000  110.70000
   55    62    70    70.00000  120.00000
   55    62    77    70.00000  120.00000
   57    55    56    33.00000  107.80000
   62    55    56    35.00000  109.50000
   62    55    57    35.00000  109.50000
   62    70    71    35.00000  120.00000
   62    70    72    63.00000  120.00000
   62    77    75    63.00000  120.00000
   62    77    54    70.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    76    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    77    63.00000  120.00000
   74    75    78    70.00000  120.00000
   74    76    80    75.00000  111.00000
   75    77    54    70.00000  120.00000
   75    78    79    35.00000  113.00000
   77    62    70    63.00000  120.00000
   77    54    58    70.00000  112.17500
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    63    58.35000  112.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    61    56.20000  109.47000
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    61    66    51.80000  107.20000
   65    63    64    33.00000  107.80000
   61    52    53    35.00000  109.50000
   61    52    55    56.20000  109.47000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   78    75    77    70.00000  120.00000
   76    74    75    70.00000  120.00000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    54    50   0.44750  1.0 1.0
   29    33    54    50  -0.17800 -1.0 2.0
   29    33    54    50   0.20200  1.0 3.0
   29    33    54    77   0.56750  1.0 1.0
   29    33    54    77  -0.07550 -1.0 2.0
   29    33    54    77   0.20000  1.0 3.0
   29    33    54    58   0.44750  1.0 1.0
   29    33    54    58  -0.17800 -1.0 2.0
   29    33    54    58   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.60050  1.0 1.0
   33    38    40    43   0.05600 -1.0 2.0
   33    38    40    43   0.26150  1.0 3.0
   33    38    42    46   0.06250  1.0 1.0
   33    38    42    46  -0.01100 -1.0 2.0
   33    38    42    46   0.28050  1.0 3.0
   33    54    58    59   0.15000  1.0 3.0
   33    54    58    60   0.15000  1.0 3.0
   33    54    58    63   0.56750  1.0 1.0
   33    54    58    63  -0.07550 -1.0 2.0
   33    54    58    63   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    54    50   0.15000  1.0 3.0
   34    33    54    77   0.43200  1.0 3.0
   34    33    54    58   0.15000  1.0 3.0
   38    33    54    50   0.56750  1.0 1.0
   38    33    54    50  -0.07550 -1.0 2.0
   38    33    54    50   0.20000  1.0 3.0
   38    33    54    77  -0.03700  1.0 1.0
   38    33    54    77   0.37200 -1.0 2.0
   38    33    54    77  -0.47300  1.0 3.0
   38    33    54    58   0.56750  1.0 1.0
   38    33    54    58  -0.07550 -1.0 2.0
   38    33    54    58   0.20000  1.0 3.0
   38    40    43    44   0.00000  1.0 1.0
   38    40    43    45   0.00000  1.0 1.0
   38    40   -43    50   0.60050  1.0 1.0
   38    40   -43    50   0.05600 -1.0 2.0
   38    40   -43    50   0.26150  1.0 3.0
   38    42    46    47   0.37050  1.0 3.0
   38    42    46    48   0.37050  1.0 3.0
   38    42    46    49   0.37050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    42    46   0.37050  1.0 3.0
   40    38    42    46  -1.11000  1.0 1.0
   40    38    42    46   0.50250 -1.0 2.0
   40    38    42    46   0.47450  1.0 3.0
   40    43    50    51  -0.11250  1.0 3.0
   40    43    50    52  -0.95700  1.0 1.0
   40    43    50    52  -0.18200 -1.0 2.0
   40    43    50    52   0.29450  1.0 3.0
   40    43    50    54  -0.95700  1.0 1.0
   40    43    50    54  -0.18200 -1.0 2.0
   40    43    50    54   0.29450  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    45   0.00000  1.0 1.0
   41    40    43    50   0.30150 -1.0 2.0
   43    50    52    53   0.15000  1.0 3.0
   43    50    52    55   0.56750  1.0 1.0
   43    50    52    55  -0.07550 -1.0 2.0
   43    50    52    55   0.20000  1.0 3.0
   43    50    52    61   1.53400  1.0 1.0
   43    50    52    61  -0.09950 -1.0 2.0
   43    50    52    61   0.05700  1.0 3.0
   43    50   -54    33   0.56750  1.0 1.0
   43    50   -54    33  -0.07550 -1.0 2.0
   43    50   -54    33   0.20000  1.0 3.0
   43    50    54    77  -0.03700  1.0 1.0
   43    50    54    77   0.37200 -1.0 2.0
   43    50    54    77  -0.47300  1.0 3.0
   43    50    54    58   0.56750  1.0 1.0
   43    50    54    58  -0.07550 -1.0 2.0
   43    50    54    58   0.20000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    54   0.15000  1.0 3.0
   45    43    50    51   0.15000  1.0 3.0
   45    43    50    52   0.15000  1.0 3.0
   45    43    50    54   0.15000  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52    55    62  -0.03700  1.0 1.0
   50    52    55    62   0.37200 -1.0 2.0
   50    52    55    62  -0.47300  1.0 3.0
   50    52    61    63   0.23450  1.0 1.0
   50    52    61    63   0.02050 -1.0 2.0
   50    52    61    63   0.25250  1.0 3.0
   50    52    61    66   0.58650  1.0 1.0
   50    52    61    66   0.12600 -1.0 2.0
   50    52    61    66   0.33350  1.0 3.0
   50    54    58    59   0.15000  1.0 3.0
   50    54    58    60   0.15000  1.0 3.0
   50    54   -58    63   0.56750  1.0 1.0
   50    54   -58    63  -0.07550 -1.0 2.0
   50    54   -58    63   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    61   0.15000  1.0 3.0
   51    50    54    33   0.15000  1.0 3.0
   51    50    54    77   0.43200  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   52    50    54    33   0.56750  1.0 1.0
   52    50    54    33  -0.07550 -1.0 2.0
   52    50    54    33   0.20000  1.0 3.0
   52    50    54    77  -0.03700  1.0 1.0
   52    50    54    77   0.37200 -1.0 2.0
   52    50    54    77  -0.47300  1.0 3.0
   52    50    54    58   0.56750  1.0 1.0
   52    50    54    58  -0.07550 -1.0 2.0
   52    50    54    58   0.20000  1.0 3.0
   52    55    62    70   0.04150 -1.0 2.0
   52    55   -62    77   0.04150 -1.0 2.0
   52    61    66    67   0.28000  1.0 3.0
   52    61    66    68   0.28000  1.0 3.0
   52    61    66    69   0.28000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    62   0.43200  1.0 3.0
   53    52    61    63   0.28000  1.0 3.0
   53    52    61    66   0.28000  1.0 3.0
   55    52    61    63   0.23450  1.0 1.0
   55    52    61    63   0.02050 -1.0 2.0
   55    52    61    63   0.25250  1.0 3.0
   55    52    61    66   0.58650  1.0 1.0
   55    52    61    66   0.12600 -1.0 2.0
   55    52    61    66   0.33350  1.0 3.0
   55    62    70    71   3.62500 -1.0 2.0
   55    62    70    72   3.62500 -1.0 2.0
   55    62    77    75   3.62500 -1.0 2.0
   55    62    77    54   3.62500 -1.0 2.0
   56    55    62    70   0.00000  1.0 1.0
   56    55    62    77   0.00000  1.0 1.0
   57    55    62    70   0.00000  1.0 1.0
   57    55    62    77   0.00000  1.0 1.0
   62    70    72    73   3.62500 -1.0 2.0
   62    70    72    74   3.62500 -1.0 2.0
   62    77    54    33   0.04150 -1.0 2.0
   62    77   -54    50   0.04150 -1.0 2.0
   62    77    54    58   0.04150 -1.0 2.0
   70    62    77    75   3.62500 -1.0 2.0
   70    62    77    54   3.62500 -1.0 2.0
   70    72   -74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    77   3.62500 -1.0 2.0
   72    74    75    78   3.62500 -1.0 2.0
   72    74    76    80   1.63200 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    75   -77    62   3.62500 -1.0 2.0
   74    75    77    54   3.62500 -1.0 2.0
   74    75    78    79   0.84100 -1.0 2.0
   74    76    80    81   0.08050  1.0 3.0
   74    76    80    82   0.08050  1.0 3.0
   74    76    80    83   0.08050  1.0 3.0
   75    74    76    80   1.63200 -1.0 2.0
   75    77    54    33   0.04150 -1.0 2.0
   75    77    54    50   0.04150 -1.0 2.0
   75    77    54    58   0.04150 -1.0 2.0
   77    62    70    71   3.62500 -1.0 2.0
   77    62   -70    72   3.62500 -1.0 2.0
   77    75    78    79   0.84100 -1.0 2.0
   77    54    58    59   0.43200  1.0 3.0
   77    54    58    60   0.43200  1.0 3.0
   77    54    58    63  -0.03700  1.0 1.0
   77    54    58    63   0.37200 -1.0 2.0
   77    54    58    63  -0.47300  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40  -0.95700  1.0 1.0
   54    33   -38    40  -0.18200 -1.0 2.0
   54    33   -38    40   0.29450  1.0 3.0
   54    33    38    42   0.62750  1.0 1.0
   54    33    38    42  -0.30950 -1.0 2.0
   54    33    38    42   0.27300  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50   -52    55   0.56750  1.0 1.0
   54    50   -52    55  -0.07550 -1.0 2.0
   54    50   -52    55   0.20000  1.0 3.0
   54    50    52    61   1.53400  1.0 1.0
   54    50    52    61  -0.09950 -1.0 2.0
   54    50    52    61   0.05700  1.0 3.0
   54    58    63    64   0.15000  1.0 3.0
   54    58    63    65   0.15000  1.0 3.0
   54    58   -63    61   1.53400  1.0 1.0
   54    58   -63    61  -0.09950 -1.0 2.0
   54    58   -63    61   0.05700  1.0 3.0
   58    63   -61    52   0.23450  1.0 1.0
   58    63   -61    52   0.02050 -1.0 2.0
   58    63   -61    52   0.25250  1.0 3.0
   58    63    61    66   0.58650  1.0 1.0
   58    63    61    66   0.12600 -1.0 2.0
   58    63    61    66   0.33350  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    61   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    61   0.15000  1.0 3.0
   63    61    66    67   0.28000  1.0 3.0
   63    61    66    68   0.28000  1.0 3.0
   63    61    66    69   0.28000  1.0 3.0
   64    63    61    52   0.28000  1.0 3.0
   64    63    61    66   0.28000  1.0 3.0
   65    63    61    52   0.28000  1.0 3.0
   65    63    61    66   0.28000  1.0 3.0
   61    52    55    56   0.15000  1.0 3.0
   61    52    55    57   0.15000  1.0 3.0
   61    52    55    62   0.83750  1.0 1.0
   61    52    55    62   0.32200 -1.0 2.0
   61    52    55    62   0.70600  1.0 3.0
   78    75    77    62   3.62500 -1.0 2.0
   78    75    77    54   3.62500 -1.0 2.0
   76    74    75    77   3.62500 -1.0 2.0
   76    74    75    78   3.62500 -1.0 2.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    40    41  10.50000 -1.0 2.0
   70    77    62    55   4.00000 -1.0 2.0
   72    71    70    62   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   75    76    74    72   4.00000 -1.0 2.0
   77    78    75    74   4.00000 -1.0 2.0
   75    54    77    62   4.00000 -1.0 2.0
END
