* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    157    237     461
    1     0 S   NP   _N1_     1    28.70309    94.34200   -22.25445
    2     1 S   H    _HN1     2     1.02834    27.95847   154.99933
    3     1 S   H    _H1_     3     1.02772    94.19869   -83.63557
    4     1 S   H    _H2_     4     1.02960    89.31093    24.73833
    5     1 S   CT   _CA1     5     1.50090   138.39833   145.41870
    6     5 S   HC   _HA1     6     1.09563   105.29867    63.92880
    7     5 S   CO3  _C1_     7     1.53850   112.44809   -56.48098
    8     7 S   O2Z  _O11     8     1.26364   114.87433   -41.36822
    9     7 S   O2Z  _O12     9     1.26237   114.95323   138.02827
   10     5 S   CT   _CB1    10     1.53106   107.47151  -177.89755
   11    10 S   HC   HB11    11     1.09813   109.62106   -49.45294
   12    10 S   HC   HB12    12     1.09828   110.31540    67.26062
   13    10 S   CT   _CG1    13     1.52919   112.45131  -170.49792
   14    13 S   HC   HG11    14     1.09521   110.21876   -60.66533
   15    13 S   HC   HG12    15     1.09637   110.08051    58.45113
   16    13 S   C    _CD1    16     1.51748   112.48406   179.17291
   17    16 S   O    _OE1    17     1.22699   123.33584    -3.42039
   18    16 S   N    _N2_    18     1.38546   111.45302   176.37788
   19    18 S   H    _HN2    19     1.01658   118.92610     1.53990
   20    18 S   CT1  _CA2    20     1.46102   123.68271  -176.48253
   21    20 S   HC   _HA2    21     1.09726   109.39844    -8.55662
   22    20 S   C    _C2_    22     1.53423   108.61098  -124.39745
   23    22 S   O    _O2_    23     1.23032   122.15518  -147.24862
   24    20 S   CT   _CB2    32     1.53591   111.14596   113.36279
   25    24 S   HC   HB21    33     1.09349   109.57537    56.73173
   26    24 S   HC   HB22    34     1.09490   109.95529   175.31617
   27    22 S   N    _N3_    24     1.38486   113.47137    40.27507
   28    27 S   H    _HN3    25     1.01519   118.87946    -1.10056
   29    24 S   S    _SG2    35     1.82981   111.41847   -65.51730
   30    27 S   CT   _CA3    26     1.45458   123.56958   175.14393
   31    30 S   HC   HA31    27     1.09516   109.36520    21.68185
   32    30 S   HC   HA32    28     1.09501   107.08278   138.68254
   33    29 S   CT   _C19    36     1.85895   102.30917   159.80363
   34    30 S   CO3  _C3_    29     1.52922   113.05477  -101.90244
   35    34 S   O2Z  _O31    30     1.26413   115.39057   -45.42246
   36    34 S   O2Z  _O32    31     1.26359   115.01371   135.52592
   37    33 S   CT   _C14    37     1.56982   106.68291   165.14178
   38    37 S   HC   _H34    38     1.10034   109.71365   -62.48007
   39    37 S   HC   _H35    39     1.09937   109.48809  -176.40904
   40    33 S   CT   _C18    58     1.58217   114.68493   -70.94406
   41    40 S   HC   _H39    59     1.09678   105.51294  -153.31372
   42    33 S   CT   _C23    83     1.55084   108.36503    52.78114
   43    42 S   HC   _H49    84     1.09437   113.12167   -65.68773
   44    42 S   HC   _H50    85     1.09697   110.38294   174.76576
   45    42 S   HC   _H51    86     1.09680   111.79019    55.73196
   46    37 S   CO4  _C7_    40     1.52565   119.31492    60.01185
   47    46 S   O    _O21    41     1.22707   121.77119  -107.65221
   48    40 S   OH   _O25    60     1.43279   110.53210    94.10379
   49    48 S   HO   _H52    61     0.97206   108.01944   166.97093
   50    46 S   CM   _C4_    42     1.48711   115.94944    74.05002
   51    50 S   HC   _H28    43     1.08686   114.68079    31.80498
   52    50 S   CM   _C5_    44     1.34581   123.71046  -133.00595
   53    52 S   CT   _C13    45     1.51143   117.96938   159.41213
   54    53 S   HC   _H32    46     1.09920   110.79520    24.98328
   55    53 S   HC   _H33    47     1.09758   108.83698   138.63578
   56    52 S   CT   _C20    79     1.50520   126.83512   -13.58296
   57    56 S   HC   _H40    80     1.09409   110.65070   110.56417
   58    56 S   HC   _H41    81     1.09056   113.81412   -10.54984
   59    56 S   HC   _H42    82     1.09536   109.81274  -130.06079
   60    53 S   CT   _C17    48     1.55549   114.33354   -97.90457
   61    60 S   HC   _H38    49     1.09764   110.89780   -60.48853
   62    60 S   CT   _C15    50     1.56275   114.08596    63.58167
   63    62 S   HC   _H36    51     1.09711   108.05056    51.00414
   64    60 S   OS   _O26    65     1.45498   105.95101  -178.89394
   65    62 S   CM   _C6_    52     1.49585   112.82145   172.47932
   66    64 S   CO4  _C12    66     1.35987   117.85291    83.44416
   67    66 S   O    _O23    67     1.22156   126.26494    -1.71075
   68    65 S   CO4  _C8_    53     1.47087   110.04579   103.28848
   69    68 S   O    _O22    54     1.21712   127.37756  -169.74867
   70    65 S   CM   _C9_    62     1.33622   128.53330   -81.35818
   71    70 S   HC   _H29    63     1.08466   120.84290     2.25403
   72    70 S   HC   _H30    64     1.08518   121.80754  -177.66259
   73    66 S   CM   _C11    68     1.49271   109.22079   178.35968
   74    68 S   OS   _O24    55     1.35727   106.92794    10.63689
   75    73 S   CM   _C10    69     1.34590   115.87793  -155.91789
   76    75 S   HC   _H31    70     1.08953   119.29573     0.63735
   77    73 S   CT   _C22    75     1.49901   118.17415    25.87661
   78    77 S   HC   _H46    76     1.09435   110.43882   -78.53855
   79    77 S   HC   _H47    77     1.09571   110.57142    41.54226
   80    77 S   HC   _H48    78     1.09298   112.80040   160.33795
   81    62 S   CT   _C16    56     1.54386   114.32491   -73.94861
   82    81 S   HC   _H37    57     1.08411   110.95550    11.83942
   83    75 S   CT   _C21    71     1.49543   127.15561   179.29807
   84    83 S   HC   _H43    72     1.09491   109.43262  -128.03903
   85    83 S   HC   _H44    73     1.09421   109.84359   113.45355
   86    83 S   HC   _H45    74     1.09198   113.59241    -8.19884
  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  13   5   4   3
  18   2   1   1  15   6   5  16   7   6   2   1   1   6   3   5
   1  10   3  11  14   6   5   4   2   1   1  13   6  12   7   7
   8   9   3   7   3   4   1   1  10   2   9   5   4   2   1   1
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    81    40    41    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    50    62    74    81    82    40    41    48    49    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    50    51    52    81    40    41    48    42    43    44    45  
   39    46    47    50    40    42  
   46    47    50    40    42  
   41    48    49    42    43    44    45    46    60    62    63    65    68    74    81    82  
   48    49    42    62    74    81    82  
   43    44    45    46    48    81  
   44    45  
   45  
    0  
   47    50    51    52    53    56  
   50    51    52  
   49    62    74    81    82  
   81  
   51    52    53    54    55    60    56    57    58    59  
   52    53    56  
   53    54    55    60    61    62    64    56    57    58    59  
   54    55    60    61    62    63    65    81    64    66    56    57    58    59  
   55    60    61    62    64    56  
   60    61    62    64    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    65    68    74    81    82    70    64    66    67    73  
   62    63    65    81    64    66  
   63    65    68    69    74    81    82    70    71    72    64    66  
   65    68    74    81    82    70    64  
   66    67    73    75    77    65    81  
   68    69    74    81    82    70    71    72  
   67    73    75    76    83    77    78    79    80  
   73    75    77  
   69    74    81    82    70    71    72  
   74    81    70  
   71    72    74    81  
   72  
    0  
   75    76    83    84    85    86    77    78    79    80  
   81    82  
   76    83    84    85    86    77    78    79    80  
   83    84    85    86    77  
   78    79    80    83  
   79    80  
   80  
    0  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   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
   81   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   317.000  1.522
   46    47   570.000  1.229
   46    50   320.000  1.462
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   317.000  1.510
   52    56   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    65   317.000  1.510
   62    81   268.000  1.529
   65    68   320.000  1.462
   65    70   549.000  1.340
   68    69   570.000  1.229
   68    74   214.000  1.327
   74    81   320.000  1.410
   81    82   340.000  1.090
   81    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   70    71   340.000  1.080
   70    72   340.000  1.080
   64    66   214.000  1.327
   66    67   570.000  1.229
   66    73   320.000  1.462
   73    75   549.000  1.340
   73    77   317.000  1.510
   75    76   340.000  1.080
   75    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    63.00000  111.10000
   33    40    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    80.00000  120.40000
   37    46    50    65.00000  118.62400
   39    37    38    33.00000  107.80000
   46    37    38    35.00000  109.50000
   46    37    39    35.00000  109.50000
   46    50    51    40.00000  117.72500
   46    50    52    65.00000  118.96000
   50    46    47    80.00000  123.72100
   50    52    53    70.00000  124.00000
   50    52    56    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    60    70.00000  112.02700
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    58.35000  112.70000
   53    60    64    50.00000  109.50000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    65    70.00000  112.02700
   60    62    81    58.35000  112.70000
   60    64    66    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    65    68    65.00000  116.34900
   62    65    70    70.00000  124.00000
   62    81    74    50.00000  109.50000
   62    81    82    37.50000  110.70000
   62    81    40    58.35000  112.70000
   65    62    63    35.00000  109.50000
   65    68    69    80.00000  123.72100
   65    68    74    90.00000  111.29400
   65    70    71    35.00000  120.00000
   65    70    72    35.00000  120.00000
   68    74    81    83.00000  116.90000
   74    68    69    83.00000  123.40000
   74    81    82    35.00000  109.50000
   74    81    40    50.00000  109.50000
   81    62    63    37.50000  110.70000
   81    62    65    70.00000  112.02700
   81    40    41    37.50000  110.70000
   81    40    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   70    65    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   64    66    67    83.00000  123.40000
   64    66    73    90.00000  111.29400
   66    73    75    65.00000  118.96000
   66    73    77    65.00000  116.34900
   73    66    67    80.00000  123.72100
   73    75    76    35.00000  120.00000
   73    75    83    70.00000  124.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   75    83    84    35.00000  109.50000
   75    83    85    35.00000  109.50000
   75    83    86    35.00000  109.50000
   83    75    76    35.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   77    73    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   56    52    53    65.00000  117.92700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.30150 -1.0 2.0
   33    37    46    50   0.65300  1.0 1.0
   33    37    46    50  -0.03850 -1.0 2.0
   33    37    46    50   0.33900  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   37    33    40    81   0.56750  1.0 1.0
   37    33    40    81  -0.07550 -1.0 2.0
   37    33    40    81   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    50    51   0.04550  1.0 1.0
   37    46    50    51   0.83000 -1.0 2.0
   37    46    50    51  -0.04000  1.0 3.0
   37    46    50    52  -0.33500  1.0 1.0
   37    46    50    52   1.06600 -1.0 2.0
   37    46    50    52  -0.14000  1.0 3.0
   38    37    46    47   0.00000  1.0 1.0
   38    37    46    50   0.00000  1.0 1.0
   39    37    46    47   0.00000  1.0 1.0
   39    37    46    50   0.00000  1.0 1.0
   46    50    52    53   7.00000 -1.0 2.0
   46    50    52    56   7.00000 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   1.00000 -1.0 2.0
   50    52    53    54   0.00000  1.0 1.0
   50    52    53    55   0.00000  1.0 1.0
   50    52    53    60   0.09850  1.0 1.0
   50    52    53    60   0.15250 -1.0 2.0
   50    52    53    60  -0.50650  1.0 3.0
   50    52    56    57   0.00000  1.0 1.0
   50    52    56    58   0.00000  1.0 1.0
   50    52    56    59   0.00000  1.0 1.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    56   7.00000 -1.0 2.0
   52    53    60    61   0.15000  1.0 3.0
   52    53    60    62   0.34400  1.0 1.0
   52    53    60    62   0.09450 -1.0 2.0
   52    53    60    62   0.11100  1.0 3.0
   52    53    60    64   0.61850  1.0 1.0
   52    53    60    64  -0.22750 -1.0 2.0
   52    53    60    64   0.15300  1.0 3.0
   53    52    56    57   0.34800  1.0 3.0
   53    52    56    58   0.34800  1.0 3.0
   53    52    56    59   0.34800  1.0 3.0
   53    60    62    63   0.15000  1.0 3.0
   53    60    62    65   0.34400  1.0 1.0
   53    60    62    65   0.09450 -1.0 2.0
   53    60    62    65   0.11100  1.0 3.0
   53    60    62    81   0.56750  1.0 1.0
   53    60    62    81  -0.07550 -1.0 2.0
   53    60    62    81   0.20000  1.0 3.0
   53    60    64    66  -0.25900  1.0 1.0
   53    60    64    66  -0.47000 -1.0 2.0
   53    60    64    66   0.11750  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    64   0.23400  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    64   0.23400  1.0 3.0
   60    62    65    68   0.09700  1.0 1.0
   60    62    65    68   0.15600 -1.0 2.0
   60    62    65    68  -0.50800  1.0 3.0
   60    62    65    70   0.09850  1.0 1.0
   60    62    65    70   0.15250 -1.0 2.0
   60    62    65    70  -0.50650  1.0 3.0
   60    62    81    74   0.62750  1.0 1.0
   60    62    81    74  -0.30950 -1.0 2.0
   60    62    81    74   0.27300  1.0 3.0
   60    62    81    82   0.15000  1.0 3.0
   60    62    81    40   0.56750  1.0 1.0
   60    62    81    40  -0.07550 -1.0 2.0
   60    62    81    40   0.20000  1.0 3.0
   60    64    66    67   3.00000 -1.0 2.0
   60    64    66    73   2.00000 -1.0 2.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    81   0.15000  1.0 3.0
   61    60    64    66   0.08050  1.0 3.0
   62    60    64    66  -0.25900  1.0 1.0
   62    60    64    66  -0.47000 -1.0 2.0
   62    60    64    66   0.11750  1.0 3.0
   62    65    68    69  -0.64400  1.0 1.0
   62    65    68    69   0.26850 -1.0 2.0
   62    65   -68    74  -0.15000  1.0 1.0
   62    65   -68    74   0.89550 -1.0 2.0
   62    65   -68    74  -0.06900  1.0 3.0
   62    65    70    71   7.00000 -1.0 2.0
   62    65    70    72   7.00000 -1.0 2.0
   62    81    40    33   0.56750  1.0 1.0
   62    81    40    33  -0.07550 -1.0 2.0
   62    81    40    33   0.20000  1.0 3.0
   62    81    40    41   0.15000  1.0 3.0
   62    81    40    48   0.86500  1.0 1.0
   62    81    40    48  -0.17500 -1.0 2.0
   62    81    40    48   0.20800  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    62    65    70   0.00000  1.0 1.0
   63    62    81    74   0.23400  1.0 3.0
   63    62    81    82   0.15000  1.0 3.0
   63    62    81    40   0.15000  1.0 3.0
   65    62   -81    74   0.61850  1.0 1.0
   65    62   -81    74  -0.22750 -1.0 2.0
   65    62   -81    74   0.15300  1.0 3.0
   65    62    81    82   0.15000  1.0 3.0
   65    62    81    40   0.34400  1.0 1.0
   65    62    81    40   0.09450 -1.0 2.0
   65    62    81    40   0.11100  1.0 3.0
   65    68   -74    81   2.00000 -1.0 2.0
   68    65    70    71   7.00000 -1.0 2.0
   68    65    70    72   7.00000 -1.0 2.0
   68    74   -81    62  -0.25900  1.0 1.0
   68    74   -81    62  -0.47000 -1.0 2.0
   68    74   -81    62   0.11750  1.0 3.0
   68    74    81    82   0.08050  1.0 3.0
   68    74    81    40  -0.25900  1.0 1.0
   68    74    81    40  -0.47000 -1.0 2.0
   68    74    81    40   0.11750  1.0 3.0
   69    68    74    81   3.00000 -1.0 2.0
   74    81    40    33   0.62750  1.0 1.0
   74    81    40    33  -0.30950 -1.0 2.0
   74    81    40    33   0.27300  1.0 3.0
   74    81    40    41   0.23400  1.0 3.0
   74    81    40    48   3.69350  1.0 1.0
   74    81    40    48  -1.82950 -1.0 2.0
   81    62   -65    68   0.09700  1.0 1.0
   81    62   -65    68   0.15600 -1.0 2.0
   81    62   -65    68  -0.50800  1.0 3.0
   81    62    65    70   0.09850  1.0 1.0
   81    62    65    70   0.15250 -1.0 2.0
   81    62    65    70  -0.50650  1.0 3.0
   81    40    48    49  -0.11600  1.0 1.0
   81    40    48    49  -0.09450 -1.0 2.0
   81    40    48    49   0.21250  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.15000  1.0 3.0
   82    81    40    48   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46  -0.95700  1.0 1.0
   40    33    37    46  -0.18200 -1.0 2.0
   40    33    37    46   0.29450  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   70    65    68    69   1.00000 -1.0 2.0
   70    65    68    74  -0.56150  1.0 1.0
   70    65    68    74   2.19150 -1.0 2.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    65   0.61850  1.0 1.0
   64    60    62    65  -0.22750 -1.0 2.0
   64    60    62    65   0.15300  1.0 3.0
   64    60    62    81   0.62750  1.0 1.0
   64    60    62    81  -0.30950 -1.0 2.0
   64    60    62    81   0.27300  1.0 3.0
   64    66    73    75  -0.56150  1.0 1.0
   64    66    73    75   2.19150 -1.0 2.0
   64    66    73    77  -0.15000  1.0 1.0
   64    66    73    77   0.89550 -1.0 2.0
   64    66    73    77  -0.06900  1.0 3.0
   66    73    75    76   7.00000 -1.0 2.0
   66    73    75    83   7.00000 -1.0 2.0
   66    73    77    78   0.15000  1.0 3.0
   66    73    77    79   0.15000  1.0 3.0
   66    73    77    80   0.15000  1.0 3.0
   67    66    73    75   1.00000 -1.0 2.0
   67    66    73    77  -0.64400  1.0 1.0
   67    66    73    77   0.26850 -1.0 2.0
   73    75    83    84   0.00000  1.0 1.0
   73    75    83    85   0.00000  1.0 1.0
   73    75    83    86   0.00000  1.0 1.0
   75    73    77    78   0.00000  1.0 1.0
   75    73    77    79   0.00000  1.0 1.0
   75    73    77    80   0.00000  1.0 1.0
   76    75    83    84   0.33100  1.0 3.0
   76    75    83    85   0.33100  1.0 3.0
   76    75    83    86   0.33100  1.0 3.0
   77    73    75    76   7.00000 -1.0 2.0
   77    73    75    83   7.00000 -1.0 2.0
   56    52    53    54   0.34800  1.0 3.0
   56    52    53    55   0.34800  1.0 3.0
   56    52    53    60   0.46850  1.0 1.0
   56    52    53    60   0.08550 -1.0 2.0
   56    52    53    60   0.09800  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46  -0.95700  1.0 1.0
   42    33    37    46  -0.18200 -1.0 2.0
   42    33    37    46   0.29450  1.0 3.0
   42    33    40    81   0.56750  1.0 1.0
   42    33    40    81  -0.07550 -1.0 2.0
   42    33    40    81   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    50    46    47  10.50000 -1.0 2.0
   46    51    50    52   1.10000 -1.0 2.0
   53    56    52    50   1.10000 -1.0 2.0
   62    68    65    70   1.10000 -1.0 2.0
   65    74    68    69  10.50000 -1.0 2.0
   71    72    70    65   1.10000 -1.0 2.0
   64    73    66    67  10.50000 -1.0 2.0
   66    77    73    75  15.00000 -1.0 2.0
   83    76    75    73  15.00000 -1.0 2.0
END
