* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    148    245     439
    1     0 S   NP   _N1_     1    29.10667    93.13271   -22.62029
    2     1 S   H    _HN1     2     1.02962    91.80298    26.23420
    3     1 S   H    _H1_     3     1.02833    20.34308   165.57840
    4     1 S   H    _H2_     4     1.02779   101.20939   -82.84377
    5     1 S   CT   _CA1     5     1.50127   130.06344   145.01168
    6     5 S   HC   _HA1     6     1.09575   105.22122    66.56497
    7     5 S   CO3  _C1_     7     1.53769   112.43086   -53.62393
    8     7 S   O2Z  _O11     8     1.26355   115.00153   -42.81760
    9     7 S   O2Z  _O12     9     1.26240   114.91976   136.34267
   10     5 S   CT   _CB1    10     1.53078   107.41099  -175.53889
   11    10 S   HC   HB11    11     1.09826   109.26455   -50.86350
   12    10 S   HC   HB12    12     1.09827   110.43602    65.65512
   13    10 S   CT   _CG1    13     1.53023   112.73195  -171.99134
   14    13 S   HC   HG11    14     1.09592   110.43539   -64.61365
   15    13 S   HC   HG12    15     1.09649   110.02513    54.66967
   16    13 S   C    _CD1    16     1.51776   112.22621   174.93825
   17    16 S   O    _OE1    17     1.22722   123.20949    -2.49026
   18    16 S   N    _N2_    18     1.38630   111.74330   177.72927
   19    18 S   H    _HN2    19     1.01590   119.09476     0.94750
   20    18 S   CT1  _CA2    20     1.46038   123.20765   179.86012
   21    20 S   HC   _HA2    21     1.09556   109.28357    -8.31871
   22    20 S   C    _C2_    22     1.53480   108.83190  -123.42896
   23    22 S   O    _O2_    23     1.23042   122.04418  -148.23240
   24    20 S   CT   _CB2    32     1.53423   111.77260   114.19119
   25    24 S   HC   HB21    33     1.09671   109.39294    62.21843
   26    24 S   HC   HB22    34     1.09502   110.80278   179.03389
   27    22 S   N    _N3_    24     1.38449   113.57208    39.28473
   28    27 S   H    _HN3    25     1.01513   118.95082    -0.63366
   29    24 S   S    _SG2    35     1.83170   114.99713   -57.17819
   30    27 S   CT   _CA3    26     1.45449   123.45663   175.01300
   31    30 S   HC   HA31    27     1.09522   109.27036    24.13219
   32    30 S   HC   HA32    28     1.09497   107.12810   141.14798
   33    29 S   CT   _C13    36     1.82076   100.80327   -68.20863
   34    33 S   HC   _H5_    37     1.08978   106.63412    52.46704
   35    30 S   CO3  _C3_    29     1.52916   113.02994   -99.35573
   36    35 S   O2Z  _O31    30     1.26404   115.35757   -45.48592
   37    35 S   O2Z  _O32    31     1.26346   115.00777   135.39276
   38    33 S   CT   _C14    38     1.54486   114.43967   -68.62013
   39    38 S   HC   _H6_    39     1.09525   111.76068    88.56530
   40    38 S   CT   _C15    40     1.55505   105.65295  -149.53852
   41    38 S   OH   _O37    75     1.42953   111.85804   -31.24143
   42    41 S   HO   _H16    76     0.97211   107.78571    45.43357
   43    40 S   CT   _C16    41     1.56783   112.97470   -88.16871
   44    43 S   HC   _H7_    42     1.09383   109.73307   -59.66388
   45    40 S   CT   _C10    50     1.58316   104.17888    35.27604
   46    40 S   OH   _O36    73     1.43116   108.41273   153.26641
   47    46 S   HO   _H15    74     0.97237   107.89050    50.97413
   48    43 S   CO4  _C17    43     1.51180   111.89927    65.43009
   49    48 S   O    _O34    44     1.21929   126.50055   -95.38191
   50    33 S   C3T  _C11    51     1.52021   114.97573   170.12154
   51    45 S   CT   _C18    56     1.55301   112.39253    82.82262
   52    51 S   HC   _H17    57     1.09377   112.40441   -61.79022
   53    51 S   HC   _H18    58     1.09637   110.92553   179.03897
   54    51 S   HC   _H19    59     1.09527   111.67525    59.69868
   55    48 S   OS   _O35    45     1.37427   108.34488    84.36308
   56    50 S   C3T  _C12    52     1.52529   118.01995   -73.87316
   57    56 S   HC   _H13    53     1.07848   121.51081  -147.77415
   58    56 S   HC   _H14    54     1.08404   118.57791     0.35443
   59    55 S   CT   _C8_    46     1.43905   107.91961     5.70592
   60    59 S   HC   _H3_    47     1.09368   108.45199   147.36921
   61    50 S   O3T  _O33    55     1.43889   117.62711    -8.12291
   62    59 S   CT   _C9_    48     1.54533   110.50838   -92.19279
   63    62 S   HC   _H4_    49     1.09756   106.59486   171.06972
   64    43 S   CT   _C7_    62     1.54793   113.63330   175.07725
   65    62 S   OH   _O38    60     1.42402   110.98672   -76.36344
   66    65 S   HO   _H20    61     0.97223   108.05939   -54.83114
   67    64 S   CM   _C5_    63     1.54153   116.88801   169.51283
   68    64 S   OH   _O39    71     1.42144   111.55808    46.54368
   69    68 S   HO   _H21    72     0.97177   108.76718  -158.35878
   70    67 S   CM   _C6_    64     1.34538   124.84232    -8.77503
   71    70 S   HC   _H11    65     1.08615   121.14252  -179.33648
   72    70 S   HC   _H12    66     1.08291   123.25223     0.49099
   73    67 S   CT   _C4_    67     1.51185   116.93344   172.75443
   74    73 S   HC   _H8_    68     1.09339   111.01413   -64.02067
   75    73 S   HC   _H9_    69     1.09402   110.94246    57.08194
   76    73 S   HC   _H10    70     1.09591   112.11868   176.47424
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  16   7  24   5   1  18   9  20   6   1   8
   3  12   9   3   2   1   8   4   2   1  11   6   1   6   3  11
   1   1   9   3   1   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    50    56    61    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    62    45    50    56    57    58    61    51    46    41    42  
   38    39    40    45    50    56    61    41  
   36    37  
   37  
    0  
   39    40    43    44    48    62    45    50    56    61    51    64    46    47    41    42  
   40    43    45    50    46    41    42  
   43    44    48    49    55    59    62    63    45    50    56    61    51    52    53    54    65    64    67    68    46    47    41    42  
   42    43    45    46    50  
    0  
   44    48    49    55    59    60    62    45    50    51    64    67    70    73    68    69    46    47  
   48    49    55    59    45    64    67    68    46  
   50    56    57    58    61    51    52    53    54    65    66    64    46    47    48    55    59    60    62    63  
   47    48    50    51    62    64  
    0  
   49    55    59    60    62    64    67    68  
   55    59    64  
   56    57    58    61    51    52    53    54    65    59    62    63  
   52    53    54    65    56    59    61    62    63  
   53    54    62  
   54    62  
   62  
   59    60    62    63    65    64    67    68  
   57    58    61    62  
   58    61  
   61  
   60    62    63    65    66    64    67    70    73    68    69  
   62    63    65    64    67    68  
   62  
   63    65    66    64    67    68  
   65    66    64  
   67    70    71    72    73    74    75    76    68    69    65  
   66  
    0  
   70    71    72    73    74    75    76    68    69  
   69    70    73  
    0  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    50   275.000  1.510
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    41   320.000  1.410
   40    43   268.000  1.529
   40    45   268.000  1.529
   40    46   320.000  1.410
   43    44   340.000  1.090
   43    48   317.000  1.522
   43    64   268.000  1.529
   48    49   570.000  1.229
   48    55   214.000  1.327
   55    59   320.000  1.410
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    64   268.000  1.529
   62    63   340.000  1.090
   62    45   268.000  1.529
   62    65   320.000  1.410
   45    50   275.000  1.510
   45    51   268.000  1.529
   50    56   260.000  1.509
   50    61   335.000  1.432
   56    57   340.000  1.088
   56    58   340.000  1.088
   56    61   335.000  1.432
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   65    66   553.000  0.945
   64    67   317.000  1.510
   64    68   320.000  1.410
   67    70   549.000  1.340
   67    73   317.000  1.510
   70    71   340.000  1.080
   70    72   340.000  1.080
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   68    69   553.000  0.945
   46    47   553.000  0.945
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    41    50.00000  109.50000
   33    50    45    58.35000  112.70000
   33    50    56    60.00000  120.94000
   33    50    61    80.00000  116.47100
   38    33    34    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    41    42    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    48    63.00000  111.10000
   40    43    64    58.35000  112.70000
   40    45    62    58.35000  112.70000
   40    45    50    70.00000  112.37300
   40    45    51    58.35000  112.70000
   40    46    47    55.00000  108.50000
   43    48    49    80.00000  120.40000
   43    48    55    81.00000  111.40000
   43    64    59    58.35000  112.70000
   43    64    67    70.00000  112.02700
   43    64    68    50.00000  109.50000
   48    43    44    35.00000  109.50000
   48    55    59    83.00000  116.90000
   55    48    49    83.00000  123.40000
   55    59    60    35.00000  109.50000
   55    59    62    50.00000  109.50000
   55    59    64    50.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    45    58.35000  112.70000
   59    62    65    50.00000  109.50000
   59    64    67    70.00000  112.02700
   59    64    68    50.00000  109.50000
   62    59    60    37.50000  110.70000
   62    45    50    70.00000  112.37300
   62    45    51    58.35000  112.70000
   62    65    66    55.00000  108.50000
   45    40    43    58.35000  112.70000
   45    62    63    37.50000  110.70000
   45    50    56    60.00000  120.94000
   45    50    61    80.00000  116.47100
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    54    37.50000  110.70000
   50    33    34    45.00000  109.38400
   50    33    38    70.00000  112.37300
   50    56    57    37.50000  117.20000
   50    56    58    37.50000  117.20000
   50    56    61    15.00000   60.43100
   50    61    56    15.00000   59.14900
   58    56    57    35.00000  114.30000
   61    50    56    15.00000   60.43100
   61    56    57    50.00000  114.27700
   61    56    58    50.00000  114.27700
   51    45    50    70.00000  112.37300
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    45    50.00000  109.50000
   64    43    44    37.50000  110.70000
   64    43    48    63.00000  111.10000
   64    59    60    37.50000  110.70000
   64    59    62    58.35000  112.70000
   64    67    70    70.00000  124.00000
   64    67    73    65.00000  117.92700
   64    68    69    55.00000  108.50000
   67    70    71    35.00000  120.00000
   67    70    72    35.00000  120.00000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   72    70    71    35.00000  117.00000
   73    67    70    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   68    64    67    90.00000  110.39200
   46    40    43    50.00000  109.50000
   46    40    45    50.00000  109.50000
   41    38    39    35.00000  109.50000
   41    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    50    45   0.44750  1.0 1.0
   29    33    50    45  -0.17800 -1.0 2.0
   29    33    50    45   0.20200  1.0 3.0
   29    33    50    56   0.44750  1.0 1.0
   29    33    50    56  -0.17800 -1.0 2.0
   29    33    50    56   0.20200  1.0 3.0
   29    33    50    61   0.56750  1.0 1.0
   29    33    50    61  -0.07550 -1.0 2.0
   29    33    50    61   0.20000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38   -40    45   0.56750  1.0 1.0
   33    38   -40    45  -0.07550 -1.0 2.0
   33    38   -40    45   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    50    56    57   0.15000  1.0 3.0
   33    50    56    58   0.15000  1.0 3.0
   33    50   -56    61   0.02550  1.0 1.0
   33    50   -56    61  -0.02600 -1.0 2.0
   33    50   -56    61   1.20400  1.0 3.0
   33    50   -61    56   0.06250  1.0 1.0
   33    50   -61    56  -0.01100 -1.0 2.0
   33    50   -61    56   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    50    45   0.15000  1.0 3.0
   34    33    50    56   0.15000  1.0 3.0
   34    33    50    61   0.23400  1.0 3.0
   38    33   -50    45   0.56750  1.0 1.0
   38    33   -50    45  -0.07550 -1.0 2.0
   38    33   -50    45   0.20000  1.0 3.0
   38    33    50    56   0.07850  1.0 1.0
   38    33    50    56  -0.03950 -1.0 2.0
   38    33    50    56   0.67350  1.0 3.0
   38    33    50    61   0.02550  1.0 1.0
   38    33    50    61  -0.02600 -1.0 2.0
   38    33    50    61   1.20400  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    48  -0.95700  1.0 1.0
   38    40    43    48  -0.18200 -1.0 2.0
   38    40    43    48   0.29450  1.0 3.0
   38    40    43    64   0.56750  1.0 1.0
   38    40    43    64  -0.07550 -1.0 2.0
   38    40    43    64   0.20000  1.0 3.0
   38    40    45    62   0.56750  1.0 1.0
   38    40    45    62  -0.07550 -1.0 2.0
   38    40    45    62   0.20000  1.0 3.0
   38    40   -45    50   0.47050  1.0 1.0
   38    40   -45    50   0.03900 -1.0 2.0
   38    40   -45    50   0.20100  1.0 3.0
   38    40    45    51   0.56750  1.0 1.0
   38    40    45    51  -0.07550 -1.0 2.0
   38    40    45    51   0.20000  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.11600  1.0 1.0
   40    38    41    42  -0.09450 -1.0 2.0
   40    38    41    42   0.21250  1.0 3.0
   40    43    48    49   0.30150 -1.0 2.0
   40    43    48    55   0.36750  1.0 3.0
   40    43    64    59   0.56750  1.0 1.0
   40    43    64    59  -0.07550 -1.0 2.0
   40    43    64    59   0.20000  1.0 3.0
   40    43    64    67   0.34400  1.0 1.0
   40    43    64    67   0.09450 -1.0 2.0
   40    43    64    67   0.11100  1.0 3.0
   40    43    64    68   0.86500  1.0 1.0
   40    43    64    68  -0.17500 -1.0 2.0
   40    43    64    68   0.20800  1.0 3.0
   40    45   -50    33   0.56750  1.0 1.0
   40    45   -50    33  -0.07550 -1.0 2.0
   40    45   -50    33   0.20000  1.0 3.0
   40    45    50    56   0.07850  1.0 1.0
   40    45    50    56  -0.03950 -1.0 2.0
   40    45    50    56   0.67350  1.0 3.0
   40    45    50    61   0.02550  1.0 1.0
   40    45    50    61  -0.02600 -1.0 2.0
   40    45    50    61   1.20400  1.0 3.0
   40    45    51    52   0.15000  1.0 3.0
   40    45    51    53   0.15000  1.0 3.0
   40    45    51    54   0.15000  1.0 3.0
   43    40    45    62   0.56750  1.0 1.0
   43    40    45    62  -0.07550 -1.0 2.0
   43    40    45    62   0.20000  1.0 3.0
   43    40    45    50   0.47050  1.0 1.0
   43    40    45    50   0.03900 -1.0 2.0
   43    40    45    50   0.20100  1.0 3.0
   43    40    45    51   0.56750  1.0 1.0
   43    40    45    51  -0.07550 -1.0 2.0
   43    40    45    51   0.20000  1.0 3.0
   43    40    46    47  -0.11600  1.0 1.0
   43    40    46    47  -0.09450 -1.0 2.0
   43    40    46    47   0.21250  1.0 3.0
   43    48   -55    59   1.63150  1.0 1.0
   43    48   -55    59   2.92000 -1.0 2.0
   43    64    67    70   0.09850  1.0 1.0
   43    64    67    70   0.15250 -1.0 2.0
   43    64    67    70  -0.50650  1.0 3.0
   43    64    67    73   0.46850  1.0 1.0
   43    64    67    73   0.08550 -1.0 2.0
   43    64    67    73   0.09800  1.0 3.0
   43    64    68    69  -0.11600  1.0 1.0
   43    64    68    69  -0.09450 -1.0 2.0
   43    64    68    69   0.21250  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    55   0.00000  1.0 1.0
   44    43    64    59   0.15000  1.0 3.0
   44    43    64    67   0.15000  1.0 3.0
   44    43    64    68   0.23400  1.0 3.0
   48    43   -64    59  -0.95700  1.0 1.0
   48    43   -64    59  -0.18200 -1.0 2.0
   48    43   -64    59   0.29450  1.0 3.0
   48    43    64    67  -0.98800  1.0 1.0
   48    43    64    67   0.48800 -1.0 2.0
   48    43    64    67   0.76800  1.0 3.0
   48    43    64    68  -0.09450  1.0 1.0
   48    43    64    68  -1.12950 -1.0 2.0
   48    43    64    68   0.54000  1.0 3.0
   48    55    59    60   0.08050  1.0 3.0
   48    55    59    62  -0.25900  1.0 1.0
   48    55    59    62  -0.47000 -1.0 2.0
   48    55    59    62   0.11750  1.0 3.0
   48    55   -59    64  -0.25900  1.0 1.0
   48    55   -59    64  -0.47000 -1.0 2.0
   48    55   -59    64   0.11750  1.0 3.0
   49    48    55    59   3.00000 -1.0 2.0
   55    59    62    63   0.23400  1.0 3.0
   55    59    62    45   0.62750  1.0 1.0
   55    59    62    45  -0.30950 -1.0 2.0
   55    59    62    45   0.27300  1.0 3.0
   55    59    62    65   3.69350  1.0 1.0
   55    59    62    65  -1.82950 -1.0 2.0
   55    59   -64    43   0.62750  1.0 1.0
   55    59   -64    43  -0.30950 -1.0 2.0
   55    59   -64    43   0.27300  1.0 3.0
   55    59    64    67   0.61850  1.0 1.0
   55    59    64    67  -0.22750 -1.0 2.0
   55    59    64    67   0.15300  1.0 3.0
   55    59    64    68   3.69350  1.0 1.0
   55    59    64    68  -1.82950 -1.0 2.0
   59    62   -45    40   0.56750  1.0 1.0
   59    62   -45    40  -0.07550 -1.0 2.0
   59    62   -45    40   0.20000  1.0 3.0
   59    62    45    50   0.47050  1.0 1.0
   59    62    45    50   0.03900 -1.0 2.0
   59    62    45    50   0.20100  1.0 3.0
   59    62    45    51   0.56750  1.0 1.0
   59    62    45    51  -0.07550 -1.0 2.0
   59    62    45    51   0.20000  1.0 3.0
   59    62    65    66  -0.11600  1.0 1.0
   59    62    65    66  -0.09450 -1.0 2.0
   59    62    65    66   0.21250  1.0 3.0
   59    64    67    70   0.09850  1.0 1.0
   59    64    67    70   0.15250 -1.0 2.0
   59    64    67    70  -0.50650  1.0 3.0
   59    64    67    73   0.46850  1.0 1.0
   59    64    67    73   0.08550 -1.0 2.0
   59    64    67    73   0.09800  1.0 3.0
   59    64    68    69  -0.11600  1.0 1.0
   59    64    68    69  -0.09450 -1.0 2.0
   59    64    68    69   0.21250  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    45   0.15000  1.0 3.0
   60    59    62    65   0.23400  1.0 3.0
   60    59    64    43   0.15000  1.0 3.0
   60    59    64    67   0.15000  1.0 3.0
   60    59    64    68   0.23400  1.0 3.0
   62    59   -64    43   0.56750  1.0 1.0
   62    59   -64    43  -0.07550 -1.0 2.0
   62    59   -64    43   0.20000  1.0 3.0
   62    59    64    67   0.34400  1.0 1.0
   62    59    64    67   0.09450 -1.0 2.0
   62    59    64    67   0.11100  1.0 3.0
   62    59    64    68   0.86500  1.0 1.0
   62    59    64    68  -0.17500 -1.0 2.0
   62    59    64    68   0.20800  1.0 3.0
   62    45    50    33   0.56750  1.0 1.0
   62    45    50    33  -0.07550 -1.0 2.0
   62    45    50    33   0.20000  1.0 3.0
   62    45    50    56   0.07850  1.0 1.0
   62    45    50    56  -0.03950 -1.0 2.0
   62    45    50    56   0.67350  1.0 3.0
   62    45    50    61   0.02550  1.0 1.0
   62    45    50    61  -0.02600 -1.0 2.0
   62    45    50    61   1.20400  1.0 3.0
   62    45    51    52   0.15000  1.0 3.0
   62    45    51    53   0.15000  1.0 3.0
   62    45    51    54   0.15000  1.0 3.0
   63    62    45    40   0.15000  1.0 3.0
   63    62    45    50   0.15000  1.0 3.0
   63    62    45    51   0.15000  1.0 3.0
   63    62    65    66   0.19450  1.0 3.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    48  -0.95700  1.0 1.0
   45    40    43    48  -0.18200 -1.0 2.0
   45    40    43    48   0.29450  1.0 3.0
   45    40    43    64   0.56750  1.0 1.0
   45    40    43    64  -0.07550 -1.0 2.0
   45    40    43    64   0.20000  1.0 3.0
   45    40    46    47  -0.11600  1.0 1.0
   45    40    46    47  -0.09450 -1.0 2.0
   45    40    46    47   0.21250  1.0 3.0
   45    62    65    66  -0.11600  1.0 1.0
   45    62    65    66  -0.09450 -1.0 2.0
   45    62    65    66   0.21250  1.0 3.0
   45    50    56    57   0.15000  1.0 3.0
   45    50    56    58   0.15000  1.0 3.0
   45    50   -56    61   0.02550  1.0 1.0
   45    50   -56    61  -0.02600 -1.0 2.0
   45    50   -56    61   1.20400  1.0 3.0
   45    50   -61    56   0.06250  1.0 1.0
   45    50   -61    56  -0.01100 -1.0 2.0
   45    50   -61    56   0.28050  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.47050  1.0 1.0
   50    33   -38    40   0.03900 -1.0 2.0
   50    33   -38    40   0.20100  1.0 3.0
   50    33    38    41   0.86500  1.0 1.0
   50    33    38    41  -0.17500 -1.0 2.0
   50    33    38    41   0.20800  1.0 3.0
   50    45    51    52   0.15000  1.0 3.0
   50    45    51    53   0.15000  1.0 3.0
   50    45    51    54   0.15000  1.0 3.0
   57    56   -61    50   0.36800  1.0 3.0
   58    56   -61    50   0.36800  1.0 3.0
   61    50   -56    57   0.23400  1.0 3.0
   61    50   -56    58   0.23400  1.0 3.0
   51    45    50    33   0.56750  1.0 1.0
   51    45    50    33  -0.07550 -1.0 2.0
   51    45    50    33   0.20000  1.0 3.0
   51    45    50    56   0.07850  1.0 1.0
   51    45    50    56  -0.03950 -1.0 2.0
   51    45    50    56   0.67350  1.0 3.0
   51    45    50    61   0.02550  1.0 1.0
   51    45    50    61  -0.02600 -1.0 2.0
   51    45    50    61   1.20400  1.0 3.0
   65    62    45    40   0.86500  1.0 1.0
   65    62    45    40  -0.17500 -1.0 2.0
   65    62    45    40   0.20800  1.0 3.0
   65    62    45    50   0.86500  1.0 1.0
   65    62    45    50  -0.17500 -1.0 2.0
   65    62    45    50   0.20800  1.0 3.0
   65    62    45    51   0.86500  1.0 1.0
   65    62    45    51  -0.17500 -1.0 2.0
   65    62    45    51   0.20800  1.0 3.0
   64    43    48    49   0.30150 -1.0 2.0
   64    43   -48    55   0.36750  1.0 3.0
   64    59    62    63   0.15000  1.0 3.0
   64    59   -62    45   0.56750  1.0 1.0
   64    59   -62    45  -0.07550 -1.0 2.0
   64    59   -62    45   0.20000  1.0 3.0
   64    59    62    65   0.86500  1.0 1.0
   64    59    62    65  -0.17500 -1.0 2.0
   64    59    62    65   0.20800  1.0 3.0
   64    67    70    71   7.00000 -1.0 2.0
   64    67    70    72   7.00000 -1.0 2.0
   64    67    73    74   0.34800  1.0 3.0
   64    67    73    75   0.34800  1.0 3.0
   64    67    73    76   0.34800  1.0 3.0
   67    64    68    69  -0.07800  1.0 1.0
   67    64    68    69  -0.21500 -1.0 2.0
   67    64    68    69  -0.03150  1.0 3.0
   70    67    73    74   0.00000  1.0 1.0
   70    67    73    75   0.00000  1.0 1.0
   70    67    73    76   0.00000  1.0 1.0
   73    67    70    71   7.00000 -1.0 2.0
   73    67    70    72   7.00000 -1.0 2.0
   68    64    67    70   0.67800  1.0 1.0
   68    64    67    70   0.47050 -1.0 2.0
   68    64    67    70  -0.62500  1.0 3.0
   68    64    67    73   0.18000  1.0 1.0
   68    64    67    73   0.16450 -1.0 2.0
   68    64    67    73   0.04450  1.0 3.0
   46    40    43    44   0.23400  1.0 3.0
   46    40    43    48  -0.09450  1.0 1.0
   46    40    43    48  -1.12950 -1.0 2.0
   46    40    43    48   0.54000  1.0 3.0
   46    40    43    64   0.86500  1.0 1.0
   46    40    43    64  -0.17500 -1.0 2.0
   46    40    43    64   0.20800  1.0 3.0
   46    40    45    62   0.86500  1.0 1.0
   46    40    45    62  -0.17500 -1.0 2.0
   46    40    45    62   0.20800  1.0 3.0
   46    40    45    50   0.86500  1.0 1.0
   46    40    45    50  -0.17500 -1.0 2.0
   46    40    45    50   0.20800  1.0 3.0
   46    40    45    51   0.86500  1.0 1.0
   46    40    45    51  -0.17500 -1.0 2.0
   46    40    45    51   0.20800  1.0 3.0
   41    38    40    43   0.86500  1.0 1.0
   41    38    40    43  -0.17500 -1.0 2.0
   41    38    40    43   0.20800  1.0 3.0
   41    38    40    45   0.86500  1.0 1.0
   41    38    40    45  -0.17500 -1.0 2.0
   41    38    40    45   0.20800  1.0 3.0
   41    38    40    46   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    55    48    49  10.50000 -1.0 2.0
   64    73    67    70  15.00000 -1.0 2.0
   71    72    70    67  15.00000 -1.0 2.0
END
