* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    242     458
    1     0 S   NP   _N1_     1    28.65516    94.76256   -23.48052
    2     1 S   H    _HN1     2     1.02976    81.76772    30.30421
    3     1 S   H    _H1_     3     1.02819    28.95651  -178.87796
    4     1 S   H    _H2_     4     1.02774   103.82641   -76.60480
    5     1 S   CT   _CA1     5     1.50178   134.82504   140.78764
    6     5 S   HC   _HA1     6     1.09585   105.17891    78.67595
    7     5 S   CO3  _C1_     7     1.53772   112.48318   -41.25356
    8     7 S   O2Z  _O11     8     1.26344   115.03367   -40.75595
    9     7 S   O2Z  _O12     9     1.26262   114.91799   138.27535
   10     5 S   CT   _CB1    10     1.53065   107.28735  -163.64872
   11    10 S   HC   HB11    11     1.09817   109.01532   -52.28880
   12    10 S   HC   HB12    12     1.09826   110.43479    64.07640
   13    10 S   CT   _CG1    13     1.53014   112.93121  -173.63974
   14    13 S   HC   HG11    14     1.09596   110.21035   -65.95578
   15    13 S   HC   HG12    15     1.09639   110.20406    53.26856
   16    13 S   C    _CD1    16     1.51819   112.20221   173.19738
   17    16 S   O    _OE1    17     1.22722   123.17027   -12.25199
   18    16 S   N    _N2_    18     1.38621   111.83706   169.03167
   19    18 S   H    _HN2    19     1.01567   119.09491     1.56523
   20    18 S   CT1  _CA2    20     1.46095   123.28091  -179.77272
   21    20 S   HC   _HA2    21     1.09615   109.38066    -2.15794
   22    20 S   C    _C2_    22     1.53482   108.73923  -117.51403
   23    22 S   O    _O2_    23     1.23045   122.12938  -145.93774
   24    20 S   CT   _CB2    32     1.53335   111.58433   120.06124
   25    24 S   HC   HB21    33     1.09651   109.74274    61.14302
   26    24 S   HC   HB22    34     1.09581   110.91051   178.55938
   27    22 S   N    _N3_    24     1.38487   113.59486    41.49513
   28    27 S   H    _HN3    25     1.01498   118.98060    -0.44057
   29    24 S   S    _SG2    35     1.82743   114.57182   -58.85691
   30    27 S   CT   _CA3    26     1.45433   123.36782   175.22796
   31    30 S   HC   HA31    27     1.09527   109.22133    25.82060
   32    30 S   HC   HA32    28     1.09498   107.15947   142.78315
   33    29 S   CT   _C23    36     1.82072    99.77534   -64.75804
   34    33 S   HC   _H23    37     1.09334   110.29056   -40.93021
   35    33 S   HC   _H24    38     1.09391   108.18652    75.51923
   36    30 S   CO3  _C3_    29     1.52897   112.97834   -97.63946
   37    36 S   O2Z  _O31    30     1.26407   115.31026   -48.49708
   38    36 S   O2Z  _O32    31     1.26339   115.05644   132.39864
   39    33 S   CM   _C22    39     1.49972   110.26230  -162.76158
   40    39 S   CMA  _C21    40     1.35305   126.93293  -104.49410
   41    40 S   OM   _O38    41     1.26291   128.28618    -0.03426
   42    40 S   OS   _O37    42     1.43116   109.31847   178.39978
   43    42 S   CT   _C11    43     1.44714   105.32831    20.72467
   44    43 S   HC   _H5_    44     1.09542   107.49231  -152.25307
   45    43 S   CO4  _C12    45     1.54237   104.99137    92.78316
   46    45 S   O    _O35    46     1.23589   122.13331    -8.03995
   47    39 S   CT   _C10    60     1.50202   123.19837    71.38979
   48    47 S   HC   _H4_    61     1.10314   103.56353   -89.70702
   49    45 S   CT   _C13    47     1.52291   119.57038   167.03955
   50    49 S   HC   _H6_    48     1.09841   106.77062   152.40508
   51    49 S   CT   _C14    49     1.52660   112.38475    32.68283
   52    51 S   HC   _H7_    50     1.09894   107.46033   -74.99768
   53    49 S   CT   _C20    80     1.53080   107.95673   -91.85285
   54    53 S   HC   _H20    81     1.09566   111.31368    66.11861
   55    53 S   HC   _H21    82     1.09583   110.84037   -53.17500
   56    53 S   HC   _H22    83     1.09405   111.50441  -172.92940
   57    51 S   CM   _C18    51     1.50678   114.91319   168.36887
   58    57 S   HC   _H16    52     1.08222   122.89307    43.48663
   59    57 S   CM   _C17    53     1.33388   114.64213  -141.87272
   60    59 S   HC   _H15    54     1.07529   128.74732  -175.98512
   61    59 S   CO4  _C16    55     1.47020   105.61419     3.64126
   62    61 S   O    _O36    56     1.22230   122.54945  -171.89339
   63    51 S   CT   _C15    57     1.55399   114.61412    48.46326
   64    63 S   CT   _C9_    58     1.53950   111.57124   -96.28596
   65    64 S   HC   _H3_    59     1.09558   108.12562  -170.97013
   66    63 S   CT   _C19    76     1.54074   116.16058    34.03557
   67    66 S   HC   _H17    77     1.09127   113.30425   -72.38296
   68    66 S   HC   _H18    78     1.09698   110.61820   167.73174
   69    66 S   HC   _H19    79     1.09637   111.59385    49.29062
   70    64 S   OS   _O34    62     1.46254   106.93384   -55.31414
   71    70 S   CO4  _C8_    63     1.35889   119.03245  -137.38264
   72    71 S   O    _O33    64     1.22160   126.17231    -0.38052
   73    71 S   CM   _C6_    65     1.49635   109.13134   179.33207
   74    73 S   CM   _C5_    66     1.34642   115.98917  -165.91071
   75    74 S   HC   _H11    67     1.08941   119.32664     0.15826
   76    73 S   CT   _C7_    72     1.50061   118.18582    15.18168
   77    76 S   HC   _H12    73     1.09503   110.35848   -71.62461
   78    76 S   HC   _H13    74     1.09578   110.46213    48.37012
   79    76 S   HC   _H14    75     1.09232   113.18489   167.45344
   80    74 S   CT   _C4_    68     1.49572   127.48394   179.16725
   81    80 S   HC   _H8_    69     1.09494   109.40665  -127.72522
   82    80 S   HC   _H9_    70     1.09428   109.79338   113.85229
   83    80 S   HC   _H10    71     1.09153   113.78193    -7.79304
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  13   6  14   5  10   4
  14   8  19   8   5   2   1   1   8   4   6   3   9   3   8   9
   3   4   2   1   1   5   9   3  10   9   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    64    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    63    64    65    47    48    70  
   41    42    43    44    45    64    47    48  
   42    43    47  
   43    44    45    46    49    64    47    48  
   44    45    46    49    50    51    63    64    65    47    48    70    53  
   45    46    49    64    47    48  
   46    49    50    51    52    57    63    64    47    48    53    54    55    56  
   49    50    51    47    53  
   48    70    71    66    49    51    61    63    64    65  
   70    63    64    65  
   50    51    52    57    58    59    61    63    64    66    53    54    55    56  
   51    52    57    63    53    54    55    56  
   52    57    58    59    60    61    62    63    64    65    70    66    67    68    69    53    54    55    56  
   57    58    59    61    63    64    66    53  
   54    55    56    57    63  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    66  
   59    60    61    63  
   60    61    62    63    64    66  
   61    62    63  
   62    63    64    65    70    66    67    68    69  
   63    64    66  
   64    65    70    71    66    67    68    69  
   65    70    71    72    73    66    67    68    69  
   70    71    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74    76  
   72    73    74    75    80    76    77    78    79  
   73    74    76  
   74    75    80    81    82    83    76    77    78    79  
   75    80    81    82    83    76    77    78    79  
   80    81    82    83    76  
   77    78    79    80  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.522
   43    47   268.000  1.529
   45    46   570.000  1.229
   45    49   317.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   268.000  1.529
   51    52   340.000  1.090
   51    57   317.000  1.510
   51    63   268.000  1.529
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   340.000  1.080
   59    61   320.000  1.462
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   268.000  1.529
   63    66   268.000  1.529
   64    65   340.000  1.090
   64    47   268.000  1.529
   64    70   320.000  1.410
   47    48   340.000  1.090
   70    71   214.000  1.327
   71    72   570.000  1.229
   71    73   320.000  1.462
   73    74   549.000  1.340
   73    76   317.000  1.510
   74    75   340.000  1.080
   74    80   317.000  1.510
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    64    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    90.00000  108.74100
   42    43    47    50.00000  109.50000
   43    45    46    80.00000  120.40000
   43    45    49    70.00000  116.00000
   43    47    64    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    35.00000  109.50000
   45    49    51    63.00000  111.10000
   45    49    53    63.00000  111.10000
   49    45    46    80.00000  120.40000
   49    51    52    37.50000  110.70000
   49    51    57    70.00000  112.02700
   49    51    63    58.35000  112.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    56    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    57    58    35.00000  117.00000
   51    57    59    70.00000  124.00000
   51    63    61    63.00000  111.10000
   51    63    64    58.35000  112.70000
   51    63    66    58.35000  112.70000
   57    51    52    35.00000  109.50000
   57    59    60    35.00000  120.00000
   57    59    61    65.00000  118.96000
   59    57    58    35.00000  120.00000
   59    61    62    80.00000  123.72100
   59    61    63    65.00000  118.62400
   61    59    60    40.00000  117.72500
   61    63    64    63.00000  111.10000
   61    63    66    63.00000  111.10000
   63    51    52    37.50000  110.70000
   63    51    57    70.00000  112.02700
   63    61    62    80.00000  120.40000
   63    64    65    37.50000  110.70000
   63    64    47    58.35000  112.70000
   63    64    70    50.00000  109.50000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    37.50000  110.70000
   64    47    48    37.50000  110.70000
   64    70    71    83.00000  116.90000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    63.00000  111.10000
   47    64    65    37.50000  110.70000
   70    64    65    35.00000  109.50000
   70    64    47    50.00000  109.50000
   70    71    72    83.00000  123.40000
   70    71    73    90.00000  111.29400
   71    73    74    65.00000  118.96000
   71    73    76    65.00000  116.34900
   73    71    72    80.00000  123.72100
   73    74    75    35.00000  120.00000
   73    74    80    70.00000  124.00000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   74    80    81    35.00000  109.50000
   74    80    82    35.00000  109.50000
   74    80    83    35.00000  109.50000
   80    74    75    35.00000  117.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   76    73    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   66    63    64    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    64   0.46850  1.0 1.0
   33    39    47    64   0.08550 -1.0 2.0
   33    39    47    64   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    64   0.09850  1.0 1.0
   40    39    47    64   0.15250 -1.0 2.0
   40    39    47    64  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.30150 -1.0 2.0
   42    43    45    49   0.55300  1.0 1.0
   42    43    45    49   1.25850 -1.0 2.0
   42    43    45    49  -0.23600  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    64   0.62750  1.0 1.0
   42    43    47    64  -0.30950 -1.0 2.0
   42    43    47    64   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    51   0.60050  1.0 1.0
   43    45    49    51   0.05600 -1.0 2.0
   43    45    49    51   0.26150  1.0 3.0
   43    45    49    53   0.60050  1.0 1.0
   43    45    49    53   0.05600 -1.0 2.0
   43    45    49    53   0.26150  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    64   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39  -0.98800  1.0 1.0
   45    43    47    39   0.48800 -1.0 2.0
   45    43    47    39   0.76800  1.0 3.0
   45    43    47    64  -0.95700  1.0 1.0
   45    43    47    64  -0.18200 -1.0 2.0
   45    43    47    64   0.29450  1.0 3.0
   45    43    47    48  -0.11250  1.0 3.0
   45    49    51    52  -0.11250  1.0 3.0
   45    49    51    57  -0.98800  1.0 1.0
   45    49    51    57   0.48800 -1.0 2.0
   45    49    51    57   0.76800  1.0 3.0
   45    49    51    63  -0.95700  1.0 1.0
   45    49    51    63  -0.18200 -1.0 2.0
   45    49    51    63   0.29450  1.0 3.0
   45    49    53    54  -0.11250  1.0 3.0
   45    49    53    55  -0.11250  1.0 3.0
   45    49    53    56  -0.11250  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51   0.30150 -1.0 2.0
   46    45    49    53   0.30150 -1.0 2.0
   49    51    57    58   0.00000  1.0 1.0
   49    51    57    59   0.09850  1.0 1.0
   49    51    57    59   0.15250 -1.0 2.0
   49    51    57    59  -0.50650  1.0 3.0
   49    51    63    61  -0.95700  1.0 1.0
   49    51    63    61  -0.18200 -1.0 2.0
   49    51    63    61   0.29450  1.0 3.0
   49    51    63    64   0.56750  1.0 1.0
   49    51    63    64  -0.07550 -1.0 2.0
   49    51    63    64   0.20000  1.0 3.0
   49    51    63    66   0.56750  1.0 1.0
   49    51    63    66  -0.07550 -1.0 2.0
   49    51    63    66   0.20000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    57   0.15000  1.0 3.0
   50    49    51    63   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    56   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    56   0.15000  1.0 3.0
   51    57    59    60   7.00000 -1.0 2.0
   51    57   -59    61   7.00000 -1.0 2.0
   51    63    64    65   0.15000  1.0 3.0
   51    63    64    47   0.56750  1.0 1.0
   51    63    64    47  -0.07550 -1.0 2.0
   51    63    64    47   0.20000  1.0 3.0
   51    63    64    70   0.62750  1.0 1.0
   51    63    64    70  -0.30950 -1.0 2.0
   51    63    64    70   0.27300  1.0 3.0
   51    63    66    67   0.15000  1.0 3.0
   51    63    66    68   0.15000  1.0 3.0
   51    63    66    69   0.15000  1.0 3.0
   52    51    57    58   0.33100  1.0 3.0
   52    51    57    59   0.00000  1.0 1.0
   52    51    63    61  -0.11250  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    66   0.15000  1.0 3.0
   57    51   -63    61  -0.98800  1.0 1.0
   57    51   -63    61   0.48800 -1.0 2.0
   57    51   -63    61   0.76800  1.0 3.0
   57    51    63    64   0.34400  1.0 1.0
   57    51    63    64   0.09450 -1.0 2.0
   57    51    63    64   0.11100  1.0 3.0
   57    51    63    66   0.34400  1.0 1.0
   57    51    63    66   0.09450 -1.0 2.0
   57    51    63    66   0.11100  1.0 3.0
   57    59    61    62   1.00000 -1.0 2.0
   57    59   -61    63  -0.33500  1.0 1.0
   57    59   -61    63   1.06600 -1.0 2.0
   57    59   -61    63  -0.14000  1.0 3.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    61   7.00000 -1.0 2.0
   59    61   -63    51   0.65300  1.0 1.0
   59    61   -63    51  -0.03850 -1.0 2.0
   59    61   -63    51   0.33900  1.0 3.0
   59    61    63    64   0.65300  1.0 1.0
   59    61    63    64  -0.03850 -1.0 2.0
   59    61    63    64   0.33900  1.0 3.0
   59    61    63    66   0.65300  1.0 1.0
   59    61    63    66  -0.03850 -1.0 2.0
   59    61    63    66   0.33900  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.04550  1.0 1.0
   60    59    61    63   0.83000 -1.0 2.0
   60    59    61    63  -0.04000  1.0 3.0
   61    63    64    65  -0.11250  1.0 3.0
   61    63    64    47  -0.95700  1.0 1.0
   61    63    64    47  -0.18200 -1.0 2.0
   61    63    64    47   0.29450  1.0 3.0
   61    63    64    70  -0.09450  1.0 1.0
   61    63    64    70  -1.12950 -1.0 2.0
   61    63    64    70   0.54000  1.0 3.0
   61    63    66    67  -0.11250  1.0 3.0
   61    63    66    68  -0.11250  1.0 3.0
   61    63    66    69  -0.11250  1.0 3.0
   62    61    63    51   0.30150 -1.0 2.0
   62    61    63    64   0.30150 -1.0 2.0
   62    61    63    66   0.30150 -1.0 2.0
   63    51    57    58   0.00000  1.0 1.0
   63    51   -57    59   0.09850  1.0 1.0
   63    51   -57    59   0.15250 -1.0 2.0
   63    51   -57    59  -0.50650  1.0 3.0
   63    64    47    39   0.34400  1.0 1.0
   63    64    47    39   0.09450 -1.0 2.0
   63    64    47    39   0.11100  1.0 3.0
   63    64    47    43   0.56750  1.0 1.0
   63    64    47    43  -0.07550 -1.0 2.0
   63    64    47    43   0.20000  1.0 3.0
   63    64    47    48   0.15000  1.0 3.0
   63    64    70    71  -0.25900  1.0 1.0
   63    64    70    71  -0.47000 -1.0 2.0
   63    64    70    71   0.11750  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    70    71    72   3.00000 -1.0 2.0
   64    70    71    73   2.00000 -1.0 2.0
   65    64    47    39   0.15000  1.0 3.0
   65    64    47    43   0.15000  1.0 3.0
   65    64    47    48   0.15000  1.0 3.0
   65    64    70    71   0.08050  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43    45    49   0.60050  1.0 1.0
   47    43    45    49   0.05600 -1.0 2.0
   47    43    45    49   0.26150  1.0 3.0
   47    64    70    71  -0.25900  1.0 1.0
   47    64    70    71  -0.47000 -1.0 2.0
   47    64    70    71   0.11750  1.0 3.0
   70    64    47    39   0.61850  1.0 1.0
   70    64    47    39  -0.22750 -1.0 2.0
   70    64    47    39   0.15300  1.0 3.0
   70    64    47    43   0.62750  1.0 1.0
   70    64    47    43  -0.30950 -1.0 2.0
   70    64    47    43   0.27300  1.0 3.0
   70    64    47    48   0.23400  1.0 3.0
   70    71    73    74  -0.56150  1.0 1.0
   70    71    73    74   2.19150 -1.0 2.0
   70    71    73    76  -0.15000  1.0 1.0
   70    71    73    76   0.89550 -1.0 2.0
   70    71    73    76  -0.06900  1.0 3.0
   71    73    74    75   7.00000 -1.0 2.0
   71    73    74    80   7.00000 -1.0 2.0
   71    73    76    77   0.15000  1.0 3.0
   71    73    76    78   0.15000  1.0 3.0
   71    73    76    79   0.15000  1.0 3.0
   72    71    73    74   1.00000 -1.0 2.0
   72    71    73    76  -0.64400  1.0 1.0
   72    71    73    76   0.26850 -1.0 2.0
   73    74    80    81   0.00000  1.0 1.0
   73    74    80    82   0.00000  1.0 1.0
   73    74    80    83   0.00000  1.0 1.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    78   0.00000  1.0 1.0
   74    73    76    79   0.00000  1.0 1.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    82   0.33100  1.0 3.0
   75    74    80    83   0.33100  1.0 3.0
   76    73    74    75   7.00000 -1.0 2.0
   76    73    74    80   7.00000 -1.0 2.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    47   0.56750  1.0 1.0
   66    63    64    47  -0.07550 -1.0 2.0
   66    63    64    47   0.20000  1.0 3.0
   66    63    64    70   0.62750  1.0 1.0
   66    63    64    70  -0.30950 -1.0 2.0
   66    63    64    70   0.27300  1.0 3.0
   53    49    51    52   0.15000  1.0 3.0
   53    49    51    57   0.34400  1.0 1.0
   53    49    51    57   0.09450 -1.0 2.0
   53    49    51    57   0.11100  1.0 3.0
   53    49    51    63   0.56750  1.0 1.0
   53    49    51    63  -0.07550 -1.0 2.0
   53    49    51    63   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    49    45    46  10.50000 -1.0 2.0
   51    58    57    59   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   59    63    61    62  10.50000 -1.0 2.0
   70    73    71    72  10.50000 -1.0 2.0
   71    76    73    74  15.00000 -1.0 2.0
   80    75    74    73  15.00000 -1.0 2.0
END
