* LIGAND DATABASE FILE (OPLS2005)
*
001      80    80    143    202     407
    1     0 S   NP   _N1_     1    28.54792    94.73567   -22.63919
    2     1 S   H    _HN1     2     1.02777    97.27380   -83.06189
    3     1 S   H    _H1_     3     1.02960    85.02537    24.82999
    4     1 S   H    _H2_     4     1.02835    29.64630   163.20446
    5     1 S   CT   _CA1     5     1.50121   138.83586   140.39762
    6     5 S   HC   _HA1     6     1.09576   105.22317    70.92982
    7     5 S   CO3  _C1_     7     1.53775   112.40188   -49.25512
    8     7 S   O2Z  _O11     8     1.26359   114.99639   -43.52145
    9     7 S   O2Z  _O12     9     1.26239   114.91515   135.64431
   10     5 S   CT   _CB1    10     1.53098   107.42823  -171.18035
   11    10 S   HC   HB11    11     1.09827   109.28760   -50.96177
   12    10 S   HC   HB12    12     1.09818   110.42955    65.57393
   13    10 S   CT   _CG1    13     1.53017   112.69856  -172.07298
   14    13 S   HC   HG11    14     1.09598   110.45418   -64.60142
   15    13 S   HC   HG12    15     1.09657   109.96105    54.61876
   16    13 S   C    _CD1    16     1.51828   112.33130   174.94046
   17    16 S   O    _OE1    17     1.22723   123.26004    -1.14175
   18    16 S   N    _N2_    18     1.38626   111.63439   179.13430
   19    18 S   H    _HN2    19     1.01579   119.01866     1.13522
   20    18 S   CT1  _CA2    20     1.46237   123.43934   179.48111
   21    20 S   HC   _HA2    21     1.09732   109.45248    -3.71958
   22    20 S   C    _C2_    22     1.53503   108.28040  -119.33102
   23    22 S   O    _O2_    23     1.23015   122.25357  -144.91756
   24    20 S   CT   _CB2    32     1.53471   111.51510   118.32819
   25    24 S   HC   HB21    33     1.09419   109.37177    56.69484
   26    24 S   HC   HB22    34     1.09429   109.75984   175.50094
   27    22 S   N    _N3_    24     1.38515   113.46841    42.33993
   28    27 S   H    _HN3    25     1.01498   118.95099    -0.50590
   29    24 S   S    _SG2    35     1.83161   111.30654   -64.51371
   30    27 S   CT   _CA3    26     1.45456   123.53340   175.33045
   31    30 S   HC   HA31    27     1.09515   109.36962    21.88418
   32    30 S   HC   HA32    28     1.09500   107.08408   138.90195
   33    29 S   CT   _C10    36     1.87492   101.45669   175.11088
   34    30 S   CO3  _C3_    29     1.52914   113.04181  -101.69257
   35    34 S   O2Z  _O31    30     1.26407   115.37597   -44.97807
   36    34 S   O2Z  _O32    31     1.26350   115.00186   135.96166
   37    33 S   CM   _C5_    37     1.53153   109.75298    59.69528
   38    33 S   CT   _C11    54     1.55796   106.56938  -177.97397
   39    38 S   HC   _H7_    55     1.09518   109.92879    55.01853
   40    38 S   HC   _H8_    56     1.09835   110.57359   -59.98277
   41    37 S   CMA  _C6_    38     1.35733   122.69337  -118.15520
   42    41 S   OM   _O35    39     1.26160   131.34619  -179.08486
   43    37 S   CT   _C4_    50     1.52071   116.84118    63.25842
   44    43 S   HC   _H3_    51     1.09361   111.30761   -57.08036
   45    43 S   HC   _H4_    52     1.09480   113.01069  -176.59815
   46    43 S   HC   _H5_    53     1.09388   110.76865    63.84579
   47    38 S   CM   _C12    57     1.51181   113.91637   179.45715
   48    47 S   HC   _H9_    58     1.08984   113.96322    68.56396
   49    41 S   CM   _C7_    40     1.45811   119.06498     0.90287
   50    49 S   HC   _H6_    41     1.09150   118.02237   179.63577
   51    47 S   CM   _C13    59     1.34822   128.47120  -112.19708
   52    49 S   CM   _C8_    42     1.33808   125.40134     0.18238
   53    51 S   CT   _C14    60     1.50450   125.05645    -0.04846
   54    53 S   HC   _H10    61     1.09446   110.35535   111.57547
   55    53 S   HC   _H11    62     1.09529   110.10552  -128.82927
   56    53 S   HC   _H12    63     1.09121   113.78003    -9.11755
   57    51 S   CT   _C15    64     1.51941   119.75049  -178.36709
   58    57 S   HC   _H13    65     1.09797   108.00765   122.37835
   59    57 S   HC   _H14    66     1.09818   110.62982     7.51408
   60    33 S   CO4  _C9_    43     1.54203   105.52952   -64.15674
   61    60 S   O    _O33    44     1.23331   122.05915   -61.45329
   62    52 S   OS   _O34    45     1.38198   121.28977  -178.53794
   63    57 S   CT   _C16    67     1.53380   115.02461  -116.26669
   64    63 S   HC   _H15    68     1.09687   110.42704   -58.36939
   65    63 S   HC   _H16    69     1.09596   108.87309  -172.92693
   66    62 S   CT   _C21    46     1.42616   110.57929  -103.17320
   67    66 S   HC   _H24    47     1.09397   107.89982   177.28661
   68    66 S   HC   _H25    48     1.09569   110.97300    59.00730
   69    66 S   HC   _H26    49     1.09478   111.48469   -64.22756
   70    63 S   CM   _C17    70     1.50359   113.49311    63.50941
   71    70 S   HC   _H17    71     1.08919   114.50136   -87.03332
   72    70 S   CM   _C18    72     1.34657   127.15152    94.53939
   73    72 S   CT   _C19    73     1.50471   120.67803   177.47338
   74    73 S   HC   _H18    74     1.09472   110.31403   116.56869
   75    73 S   HC   _H19    75     1.09464   112.36754    -3.95329
   76    73 S   HC   _H20    76     1.09506   110.19805  -123.63351
   77    72 S   CT   _C20    77     1.50254   124.83902    -3.09022
   78    77 S   HC   _H21    78     1.09479   110.13641   114.40070
   79    77 S   HC   _H22    79     1.09540   110.03815  -126.23234
   80    77 S   HC   _H23    80     1.09264   113.36824    -6.65039
  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
  18   2   1   1  15  12   5   4  10   4   5   2   1   1  11   3
   6   3  11   7   7   3   2   1   8   5   4   3   1   4   7   4
   3   3   2   1   1  10   3   8   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    52    60    61    43    38    39    40    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    49    52    60    61    62    43    44    45    46    38    39    40    47    48    51  
   35    36  
   36  
    0  
   41    42    49    50    52    60    61    43    44    45    46    38    39    40    47  
   39    40    47    48    51    53    57    41    43    52    60    61  
   40    47    48    51    60  
   47    48    51    60  
   42    49    50    52    60    62    43    44    45    46  
   49    50    52    43  
   44    45    46    49    60  
   45    46  
   46  
    0  
   48    51    53    54    55    56    57    58    59    63    60  
   51    53    57  
   50    52    60    61    62    66  
   52    60    62  
   53    54    55    56    57    58    59    63    64    65    70  
   60    61    62    66    67    68    69  
   54    55    56    57    58    59    63  
   55    56    57  
   56    57  
   57  
   58    59    63    64    65    70    71    72  
   59    63    64    65    70  
   63    64    65    70  
   61    62    66  
   62  
   66    67    68    69  
   64    65    70    71    72    73    77  
   65    70    71    72  
   70    71    72  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79    80  
   72    73    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    60   317.000  1.522
   33    38   268.000  1.529
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    49   465.000  1.376
   49    50   340.000  1.080
   49    52   549.000  1.340
   52    60   320.000  1.462
   52    62   440.000  1.360
   60    61   570.000  1.229
   62    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    47   317.000  1.510
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    53   317.000  1.510
   51    57   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   317.000  1.510
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   317.000  1.510
   72    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    60    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    60    52    65.00000  118.62400
   33    60    61    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    47    70.00000  112.02700
   37    41    42    65.00000  137.10300
   37    41    49    70.00000  123.01800
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    46    35.00000  109.50000
   41    49    50    40.00000  120.50800
   41    49    52    70.00000  117.34000
   49    41    42    65.00000  137.10300
   49    52    60    65.00000  118.96000
   49    52    62    80.00000  120.01400
   52    49    50    35.00000  120.00000
   52    60    61    80.00000  123.72100
   52    62    66    90.00000  111.18400
   60    33    37    70.00000  109.06800
   62    52    60    85.00000  116.28000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    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
   43    37    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    60    63.00000  111.10000
   38    47    48    35.00000  117.00000
   38    47    51    70.00000  124.00000
   40    38    39    33.00000  107.80000
   47    38    39    35.00000  109.50000
   47    38    40    35.00000  109.50000
   47    51    53    70.00000  124.00000
   47    51    57    70.00000  124.00000
   51    47    48    35.00000  120.00000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    35.00000  109.50000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    63    70.00000  112.02700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    51    53    65.00000  117.92700
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    70    70.00000  112.02700
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    70    71    35.00000  117.00000
   63    70    72    70.00000  124.00000
   65    63    64    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    65    35.00000  109.50000
   70    72    73    70.00000  124.00000
   70    72    77    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    60    52   0.65300  1.0 1.0
   29    33    60    52  -0.03850 -1.0 2.0
   29    33    60    52   0.33900  1.0 3.0
   29    33    60    61   0.30150 -1.0 2.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    47   0.56750  1.0 1.0
   29    33    38    47  -0.07550 -1.0 2.0
   29    33    38    47   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    49   7.00000 -1.0 2.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    45   0.34800  1.0 3.0
   33    37    43    46   0.34800  1.0 3.0
   33    38    47    48   0.00000  1.0 1.0
   33    38    47    51   0.09850  1.0 1.0
   33    38    47    51   0.15250 -1.0 2.0
   33    38    47    51  -0.50650  1.0 3.0
   37    33    60    52   0.65300  1.0 1.0
   37    33    60    52  -0.03850 -1.0 2.0
   37    33    60    52   0.33900  1.0 3.0
   37    33    60    61   0.30150 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    47   0.31000  1.0 1.0
   37    33    38    47   0.14700 -1.0 2.0
   37    33    38    47   0.07550  1.0 3.0
   37    41    49    50   7.00000 -1.0 2.0
   37    41   -49    52   7.00000 -1.0 2.0
   41    37    43    44   0.00000  1.0 1.0
   41    37    43    45   0.00000  1.0 1.0
   41    37    43    46   0.00000  1.0 1.0
   41    49    52    60   7.00000 -1.0 2.0
   41    49    52    62   7.00000 -1.0 2.0
   42    41    49    50   7.00000 -1.0 2.0
   42    41    49    52   7.00000 -1.0 2.0
   49    52   -60    33  -0.33500  1.0 1.0
   49    52   -60    33   1.06600 -1.0 2.0
   49    52   -60    33  -0.14000  1.0 3.0
   49    52    60    61   1.00000 -1.0 2.0
   49    52    62    66  -2.26850  1.0 1.0
   49    52    62    66   3.39050 -1.0 2.0
   50    49    52    60   7.00000 -1.0 2.0
   50    49    52    62   7.00000 -1.0 2.0
   52    62    66    67   0.08050  1.0 3.0
   52    62    66    68   0.08050  1.0 3.0
   52    62    66    69   0.08050  1.0 3.0
   60    33   -37    41  -0.51250  1.0 1.0
   60    33   -37    41  -0.88800 -1.0 2.0
   60    33   -37    41   0.08850  1.0 3.0
   60    33    37    43   0.17250  1.0 1.0
   60    33    37    43  -0.04100 -1.0 2.0
   60    33    37    43  -0.33850  1.0 3.0
   60    33    38    39  -0.11250  1.0 3.0
   60    33    38    40  -0.11250  1.0 3.0
   60    33    38    47  -0.98800  1.0 1.0
   60    33    38    47   0.48800 -1.0 2.0
   60    33    38    47   0.76800  1.0 3.0
   60    52    62    66   0.15100 -1.0 2.0
   62    52    60    33   0.32450 -1.0 2.0
   62    52    60    33   0.17400  1.0 3.0
   62    52    60    61  -0.11900  1.0 1.0
   62    52    60    61   0.76850 -1.0 2.0
   62    52    60    61   0.14100  1.0 3.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    49   7.00000 -1.0 2.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    60    52   0.65300  1.0 1.0
   38    33    60    52  -0.03850 -1.0 2.0
   38    33    60    52   0.33900  1.0 3.0
   38    33    60    61   0.30150 -1.0 2.0
   38    47    51    53   7.00000 -1.0 2.0
   38    47    51    57   7.00000 -1.0 2.0
   39    38    47    48   0.33100  1.0 3.0
   39    38    47    51   0.00000  1.0 1.0
   40    38    47    48   0.33100  1.0 3.0
   40    38    47    51   0.00000  1.0 1.0
   47    51    53    54   0.00000  1.0 1.0
   47    51    53    55   0.00000  1.0 1.0
   47    51    53    56   0.00000  1.0 1.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59   0.00000  1.0 1.0
   47    51    57    63   0.09850  1.0 1.0
   47    51    57    63   0.15250 -1.0 2.0
   47    51    57    63  -0.50650  1.0 3.0
   48    47    51    53   7.00000 -1.0 2.0
   48    47    51    57   7.00000 -1.0 2.0
   51    57    63    64   0.15000  1.0 3.0
   51    57    63    65   0.15000  1.0 3.0
   51    57    63    70   0.31000  1.0 1.0
   51    57    63    70   0.14700 -1.0 2.0
   51    57    63    70   0.07550  1.0 3.0
   53    51    57    58   0.34800  1.0 3.0
   53    51    57    59   0.34800  1.0 3.0
   53    51    57    63   0.46850  1.0 1.0
   53    51    57    63   0.08550 -1.0 2.0
   53    51    57    63   0.09800  1.0 3.0
   57    51    53    54   0.34800  1.0 3.0
   57    51    53    55   0.34800  1.0 3.0
   57    51    53    56   0.34800  1.0 3.0
   57    63    70    71   0.00000  1.0 1.0
   57    63    70    72   0.09850  1.0 1.0
   57    63    70    72   0.15250 -1.0 2.0
   57    63    70    72  -0.50650  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    70   0.15000  1.0 3.0
   59    57    63    64   0.15000  1.0 3.0
   59    57    63    65   0.15000  1.0 3.0
   59    57    63    70   0.15000  1.0 3.0
   63    70    72    73   7.00000 -1.0 2.0
   63    70    72    77   7.00000 -1.0 2.0
   64    63    70    71   0.33100  1.0 3.0
   64    63    70    72   0.00000  1.0 1.0
   65    63    70    71   0.33100  1.0 3.0
   65    63    70    72   0.00000  1.0 1.0
   70    72    73    74   0.00000  1.0 1.0
   70    72    73    75   0.00000  1.0 1.0
   70    72    73    76   0.00000  1.0 1.0
   70    72    77    78   0.00000  1.0 1.0
   70    72    77    79   0.00000  1.0 1.0
   70    72    77    80   0.00000  1.0 1.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    77   7.00000 -1.0 2.0
   73    72    77    78   0.34800  1.0 3.0
   73    72    77    79   0.34800  1.0 3.0
   73    72    77    80   0.34800  1.0 3.0
   77    72    73    74   0.34800  1.0 3.0
   77    72    73    75   0.34800  1.0 3.0
   77    72    73    76   0.34800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    41   1.10000 -1.0 2.0
   49    42    41    37   1.10000 -1.0 2.0
   41    50    49    52   1.10000 -1.0 2.0
   60    62    52    49   1.10000 -1.0 2.0
   33    52    60    61  10.50000 -1.0 2.0
   38    48    47    51  15.00000 -1.0 2.0
   53    57    51    47  15.00000 -1.0 2.0
   63    71    70    72  15.00000 -1.0 2.0
   73    77    72    70  15.00000 -1.0 2.0
END
