* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    130    219     389
    1     0 S   NP   _N1_     1    29.13445    95.89084   -26.09036
    2     1 S   H    _HN1     2     1.02826    36.60977  -165.86376
    3     1 S   H    _H1_     3     1.02796   122.86619   -90.72690
    4     1 S   H    _H2_     4     1.02947    70.62424     9.09626
    5     1 S   CT   _CA1     5     1.50130   121.61710   111.67289
    6     5 S   HC   _HA1     6     1.09576   105.15011    98.48892
    7     5 S   CO3  _C1_     7     1.53748   112.45123   -21.68735
    8     7 S   O2Z  _O11     8     1.26374   115.00127   -42.94073
    9     7 S   O2Z  _O12     9     1.26234   114.92796   136.00137
   10     5 S   CT   _CB1    10     1.53045   107.39382  -143.58669
   11    10 S   HC   HB11    11     1.09845   109.26009   -49.63761
   12    10 S   HC   HB12    12     1.09810   110.50660    66.92787
   13    10 S   CT   _CG1    13     1.53036   112.67679  -170.58311
   14    13 S   HC   HG11    14     1.09567   110.75355   -68.46962
   15    13 S   HC   HG12    15     1.09669   109.68758    50.79798
   16    13 S   C    _CD1    16     1.51816   111.87747   171.24128
   17    16 S   O    _OE1    17     1.22766   123.12461    13.81018
   18    16 S   N    _N2_    18     1.38636   111.89540  -166.07080
   19    18 S   H    _HN2    19     1.01573   119.08320     0.36369
   20    18 S   CT1  _CA2    20     1.46233   123.34886   175.97343
   21    20 S   HC   _HA2    21     1.09745   109.21435     8.77579
   22    20 S   C    _C2_    22     1.53755   109.09367  -106.69013
   23    22 S   O    _O2_    23     1.23096   122.20552  -150.84003
   24    20 S   CT   _CB2    32     1.53440   111.66596   130.73824
   25    24 S   HC   HB21    33     1.09515   109.71565    56.84951
   26    24 S   HC   HB22    34     1.09410   109.50759   175.70162
   27    22 S   N    _N3_    24     1.38303   113.99053    36.72403
   28    27 S   H    _HN3    25     1.01524   119.62483    -3.28348
   29    24 S   S    _SG2    35     1.83395   111.04428   -64.64146
   30    27 S   CT   _CA3    26     1.45273   123.30059   177.20425
   31    30 S   HC   HA31    27     1.09547   107.52674   -64.64538
   32    30 S   HC   HA32    28     1.09556   107.98728    51.81580
   33    29 S   CT   _C11    36     1.85685   102.11016   176.51845
   34    33 S   OM   _O40    37     1.31884   109.36173   -62.66096
   35    30 S   CO3  _C3_    29     1.52978   114.03499   173.82397
   36    35 S   O2Z  _O31    30     1.26388   116.09117     0.15826
   37    35 S   O2Z  _O32    31     1.26425   114.41525  -179.79537
   38    33 S   CO4  _C10    38     1.53251   107.05811    55.67712
   39    38 S   O    _O33    39     1.22976   125.08055  -103.12683
   40    33 S   CT   _C12    50     1.56902   114.90583   174.92264
   41    40 S   HC   _H3_    51     1.09688   104.88994  -178.19387
   42    38 S   CA   _C9_    40     1.48310   116.67839    73.77133
   43    40 S   CM   _C14    52     1.54572   117.00087    61.84469
   44    42 S   CA   _C4_    41     1.40270   118.25378  -153.63341
   45    44 S   HA   _H4_    42     1.08699   120.54924    -1.12448
   46    43 S   CM   _C19    53     1.35923   126.05158    99.58852
   47    44 S   CA   _C5_    43     1.39158   119.59620   177.88502
   48    46 S   CM   _C18    54     1.47492   121.97684  -172.24589
   49    47 S   CA   _C6_    44     1.38929   120.67852     0.05595
   50    49 S   HA   _H5_    45     1.08678   120.19734  -179.83331
   51    48 S   CM   _C17    55     1.46664   118.12240   -16.73519
   52    48 S   CMA  _C23    62     1.36194   119.14687   162.74753
   53    52 S   OM   _O36    63     1.26468   131.90843   179.04756
   54    47 S   OH   _O42    72     1.36609   121.09162  -179.65338
   55    54 S   HO   _H10    73     0.97255   108.62855     0.08847
   56    49 S   CA   _C7_    46     1.39614   119.54959     0.37220
   57    51 S   CM   _C16    56     1.33282   120.65996    12.20822
   58    57 S   HC   _H6_    57     1.08408   121.53707   178.77411
   59    51 S   OH   _O38    60     1.38306   120.02066  -168.54795
   60    59 S   HO   _H8_    61     0.97520   107.74507    -3.98870
   61    52 S   CM   _C22    64     1.46609   118.69416    -4.27714
   62    61 S   HC   _H7_    65     1.09357   116.86585  -165.06887
   63    42 S   CA   _C8_    47     1.39946   121.08456    24.87040
   64    43 S   CO4  _C15    58     1.51532   116.72404   -82.32624
   65    64 S   O    _O39    59     1.22838   123.04609    -0.58651
   66    61 S   CMA  _C21    66     1.34837   126.74224    15.09315
   67    66 S   OM   _O37    67     1.26297   130.12347   178.49338
   68    56 S   OH   _O41    70     1.36995   115.62593   179.74512
   69    68 S   HO   _H9_    71     0.97416   108.72021  -179.11729
   70    63 S   CO4  _C13    48     1.48693   120.05791     4.65884
   71    70 S   O    _O34    49     1.23039   118.88982   170.23833
   72    46 S   CO4  _C20    68     1.50608   121.59919     9.71213
   73    72 S   O    _O35    69     1.22972   121.87486    36.19259
  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   9   5   4   3
  13   7   2   1   1  11   4  13   6  10  14   9   4  14   7  13
   8   4  10   8   3   2   1   5   5   3   2   1   5   3   4   3
   1   3   2   2   1   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    70    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    44    63    70    71    40    41    43    46    64  
   38    39    42    70    40    41    43  
   36    37  
   37  
    0  
   39    42    44    45    47    56    63    70    40    41    43  
   42    44    63    40  
   41    43    46    48    57    64    65    72    42    56    63    70    71  
   43    46    64    63    70    71  
   44    45    47    49    56    63    70    71    68    54  
   46    48    51    57    58    64    65    52    66    72    73    63    70    71  
   45    47    49    50    56    63    70    54    55  
   47    49    63    54  
   48    51    57    64    65    59    52    53    61    66    67    72    73    70  
   49    50    56    63    68    54    55  
   51    57    58    64    59    60    52    53    61    62    66    72    73  
   50    56    63    70    68    69    54    55  
   56    63    68    54  
   57    58    64    65    59    60    52    53    61    72  
   53    61    62    66    67    72    57    59  
   61    62    66  
   55    56  
    0  
   63    70    71    68    69  
   58    64    65    59    60  
   64    65    59  
   60    64  
    0  
   62    66    67    72    73  
   66    67    72  
   70    71    68    69  
   65    72    70  
    0  
   67    72    73  
   72    73  
   69    70  
    0  
   71  
    0  
   73  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760  -1.317400   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    44   469.000  1.400
   42    63   469.000  1.400
   44    45   367.000  1.080
   44    47   469.000  1.400
   47    49   469.000  1.400
   47    54   450.000  1.364
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    63   469.000  1.400
   56    68   450.000  1.364
   63    70   310.000  1.470
   70    71   570.000  1.229
   70    40   317.000  1.522
   40    41   340.000  1.090
   40    43   317.000  1.510
   43    46   549.000  1.340
   43    64   320.000  1.462
   46    48   380.000  1.444
   46    72   320.000  1.462
   48    51   380.000  1.444
   48    52   465.000  1.376
   51    57   549.000  1.340
   51    59   510.000  1.338
   57    58   340.000  1.080
   57    64   320.000  1.462
   64    65   570.000  1.229
   59    60   553.000  0.945
   52    53   745.000  1.250
   52    61   465.000  1.376
   61    62   340.000  1.080
   61    66   465.000  1.376
   66    67   745.000  1.250
   66    72   270.000  1.476
   72    73   570.000  1.229
   68    69   553.000  0.945
   54    55   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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    70    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  112.02700
   38    33    34    90.00000  108.74100
   38    42    44    60.00000  119.52600
   38    42    63    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    44    45    35.00000  120.00000
   42    44    47    63.00000  120.00000
   42    63    56    63.00000  120.00000
   42    63    70    60.00000  119.52600
   44    47    49    63.00000  120.00000
   44    47    54    70.00000  120.00000
   47    44    45    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    56    63.00000  120.00000
   47    54    55    35.00000  113.00000
   49    56    63    63.00000  120.00000
   49    56    68    70.00000  120.00000
   56    49    50    35.00000  120.00000
   56    63    70    60.00000  119.52600
   56    68    69    35.00000  113.00000
   63    42    44    63.00000  120.00000
   63    70    71    75.00000  123.78400
   63    70    40    65.00000  115.47100
   70    40    41    35.00000  109.50000
   70    40    43    70.00000  109.06800
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    70    71    80.00000  120.40000
   40    43    46    70.00000  124.00000
   40    43    64    65.00000  116.34900
   43    40    41    35.00000  109.50000
   43    46    48    70.00000  123.01800
   43    46    72    65.00000  118.96000
   43    64    57    65.00000  118.65900
   43    64    65    80.00000  123.72100
   46    48    51    70.00000  123.01800
   46    48    52    70.00000  117.34000
   46    72    66    65.00000  118.65900
   46    72    73    80.00000  123.72100
   48    51    57    70.00000  123.01800
   48    51    59    80.00000  121.38400
   48    52    53    65.00000  137.10300
   48    52    61    70.00000  123.01800
   51    57    58    35.00000  120.00000
   51    57    64    65.00000  118.96000
   51    59    60    70.00000  107.45700
   57    64    65    80.00000  123.72100
   64    43    46    65.00000  118.96000
   64    57    58    40.00000  117.72500
   59    51    57    80.00000  121.38400
   52    48    51    70.00000  117.34000
   52    61    62    40.00000  120.50800
   52    61    66    70.00000  117.34000
   61    52    53    65.00000  137.10300
   61    66    67    65.00000  137.10300
   61    66    72    65.00000  114.61000
   66    61    62    40.00000  120.50800
   66    72    73    80.00000  120.81000
   72    46    48    65.00000  118.96000
   72    66    67    85.00000  116.28000
   68    56    63    70.00000  120.00000
   54    47    49    70.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    70   0.56750  1.0 1.0
   29    33    40    70  -0.07550 -1.0 2.0
   29    33    40    70   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    44   2.26350  1.0 1.0
   33    38    42    44   0.76750 -1.0 2.0
   33    38    42    44   0.22500  1.0 3.0
   33    38    42    63   2.26350  1.0 1.0
   33    38    42    63   0.76750 -1.0 2.0
   33    38    42    63   0.22500  1.0 3.0
   33    40    43    46   0.09850  1.0 1.0
   33    40    43    46   0.15250 -1.0 2.0
   33    40    43    46  -0.50650  1.0 3.0
   33    40    43    64   0.09700  1.0 1.0
   33    40    43    64   0.15600 -1.0 2.0
   33    40    43    64  -0.50800  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.65300  1.0 1.0
   34    33    38    42  -0.03850 -1.0 2.0
   34    33    38    42   0.33900  1.0 3.0
   34    33    40    70  -0.09450  1.0 1.0
   34    33    40    70  -1.12950 -1.0 2.0
   34    33    40    70   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43   0.61850  1.0 1.0
   34    33    40    43  -0.22750 -1.0 2.0
   34    33    40    43   0.15300  1.0 3.0
   38    33    40    70   0.11950  1.0 1.0
   38    33    40    70   0.20300 -1.0 2.0
   38    33    40    70  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    42    44    45   3.62500 -1.0 2.0
   38    42    44    47   3.62500 -1.0 2.0
   38    42    63    56   3.62500 -1.0 2.0
   38    42   -63    70   3.62500 -1.0 2.0
   39    38    42    44   1.05000 -1.0 2.0
   39    38    42    63   1.05000 -1.0 2.0
   42    44    47    49   3.62500 -1.0 2.0
   42    44    47    54   3.62500 -1.0 2.0
   42    63    70    71   1.05000 -1.0 2.0
   42    63    70    40   2.26350  1.0 1.0
   42    63    70    40   0.76750 -1.0 2.0
   42    63    70    40   0.22500  1.0 3.0
   44    42    63    56   3.62500 -1.0 2.0
   44    42    63    70   3.62500 -1.0 2.0
   44    47    49    50   3.62500 -1.0 2.0
   44    47   -49    56   3.62500 -1.0 2.0
   44    47    54    55   0.84100 -1.0 2.0
   45    44    47    49   3.62500 -1.0 2.0
   45    44    47    54   3.62500 -1.0 2.0
   47    49    56    63   3.62500 -1.0 2.0
   47    49    56    68   3.62500 -1.0 2.0
   49    47    54    55   0.84100 -1.0 2.0
   49    56   -63    42   3.62500 -1.0 2.0
   49    56    63    70   3.62500 -1.0 2.0
   49    56    68    69   0.84100 -1.0 2.0
   50    49    56    63   3.62500 -1.0 2.0
   50    49    56    68   3.62500 -1.0 2.0
   56    63    70    71   1.05000 -1.0 2.0
   56    63    70    40   2.26350  1.0 1.0
   56    63    70    40   0.76750 -1.0 2.0
   56    63    70    40   0.22500  1.0 3.0
   63    42    44    45   3.62500 -1.0 2.0
   63    42   -44    47   3.62500 -1.0 2.0
   63    56    68    69   0.84100 -1.0 2.0
   63    70   -40    33   0.05850 -1.0 2.0
   63    70   -40    33   0.17250  1.0 3.0
   63    70    40    41   0.00000  1.0 1.0
   63    70    40    43   0.65300  1.0 1.0
   63    70    40    43  -0.03850 -1.0 2.0
   63    70    40    43   0.33900  1.0 3.0
   70    40    43    46  -0.51250  1.0 1.0
   70    40    43    46  -0.88800 -1.0 2.0
   70    40    43    46   0.08850  1.0 3.0
   70    40    43    64   0.09700  1.0 1.0
   70    40    43    64   0.15600 -1.0 2.0
   70    40    43    64  -0.50800  1.0 3.0
   71    70    40    33   0.30150 -1.0 2.0
   71    70    40    41   0.00000  1.0 1.0
   71    70    40    43   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.05850 -1.0 2.0
   40    33   -38    42   0.17250  1.0 3.0
   40    43    46    48   7.00000 -1.0 2.0
   40    43    46    72   7.00000 -1.0 2.0
   40    43    64    57   1.50000 -1.0 2.0
   40    43    64    65  -0.64400  1.0 1.0
   40    43    64    65   0.26850 -1.0 2.0
   41    40    43    46   0.00000  1.0 1.0
   41    40    43    64   0.15000  1.0 3.0
   43    46    48    51   0.28850  1.0 1.0
   43    46    48    51   2.61350 -1.0 2.0
   43    46    48    51   0.78400  1.0 3.0
   43    46    48    52   0.28850  1.0 1.0
   43    46    48    52   2.61350 -1.0 2.0
   43    46    48    52   0.78400  1.0 3.0
   43    46    72    66  -1.18350  1.0 1.0
   43    46    72    66   1.45950 -1.0 2.0
   43    46    72    73   1.00000 -1.0 2.0
   46    43    64    57  -1.18350  1.0 1.0
   46    43    64    57   1.45950 -1.0 2.0
   46    43    64    65   1.00000 -1.0 2.0
   46    48   -51    57   0.28850  1.0 1.0
   46    48   -51    57   2.61350 -1.0 2.0
   46    48   -51    57   0.78400  1.0 3.0
   46    48    51    59   0.50950  1.0 1.0
   46    48    51    59   0.56650 -1.0 2.0
   46    48    51    59   0.34050  1.0 3.0
   46    48    52    53   7.00000 -1.0 2.0
   46    48    52    61   7.00000 -1.0 2.0
   48    46    72    66  -1.18350  1.0 1.0
   48    46    72    66   1.45950 -1.0 2.0
   48    46    72    73   1.00000 -1.0 2.0
   48    51    57    58   7.00000 -1.0 2.0
   48    51    57    64   7.00000 -1.0 2.0
   48    51    59    60  -0.66100  1.0 1.0
   48    51    59    60   1.20850 -1.0 2.0
   48    51    59    60  -0.36000  1.0 3.0
   48    52    61    62   7.00000 -1.0 2.0
   48    52   -61    66   7.00000 -1.0 2.0
   51    48    52    53   7.00000 -1.0 2.0
   51    48    52    61   7.00000 -1.0 2.0
   51    57   -64    43  -1.18350  1.0 1.0
   51    57   -64    43   1.45950 -1.0 2.0
   51    57    64    65   1.00000 -1.0 2.0
   57    51    59    60  -0.66100  1.0 1.0
   57    51    59    60   1.20850 -1.0 2.0
   57    51    59    60  -0.36000  1.0 3.0
   58    57    64    43   0.93700 -1.0 2.0
   58    57    64    65   0.00000  1.0 1.0
   64    43   -46    48   7.00000 -1.0 2.0
   64    43    46    72   7.00000 -1.0 2.0
   59    51    57    58   7.00000 -1.0 2.0
   59    51    57    64   7.00000 -1.0 2.0
   52    48    51    57   0.28850  1.0 1.0
   52    48    51    57   2.61350 -1.0 2.0
   52    48    51    57   0.78400  1.0 3.0
   52    48    51    59   0.50950  1.0 1.0
   52    48    51    59   0.56650 -1.0 2.0
   52    48    51    59   0.34050  1.0 3.0
   52    61    66    67   7.00000 -1.0 2.0
   52    61    66    72   7.00000 -1.0 2.0
   53    52    61    62   7.00000 -1.0 2.0
   53    52    61    66   7.00000 -1.0 2.0
   61    66   -72    46  -1.18350  1.0 1.0
   61    66   -72    46   1.45950 -1.0 2.0
   61    66    72    73   1.00000 -1.0 2.0
   62    61    66    67   7.00000 -1.0 2.0
   62    61    66    72   7.00000 -1.0 2.0
   67    66    72    46   1.50000 -1.0 2.0
   67    66    72    73  -0.11900  1.0 1.0
   67    66    72    73   0.76850 -1.0 2.0
   67    66    72    73   0.14100  1.0 3.0
   72    46    48    51  -0.18600  1.0 3.0
   72    46   -48    52  -0.18600  1.0 3.0
   68    56    63    42   3.62500 -1.0 2.0
   68    56    63    70   3.62500 -1.0 2.0
   54    47    49    50   3.62500 -1.0 2.0
   54    47    49    56   3.62500 -1.0 2.0
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
   33    42    38    39  10.50000 -1.0 2.0
   44    63    42    38   4.00000 -1.0 2.0
   47    45    44    42   1.10000 -1.0 2.0
   49    54    47    44   4.00000 -1.0 2.0
   56    50    49    47   1.10000 -1.0 2.0
   63    68    56    49   4.00000 -1.0 2.0
   56    70    63    42   4.00000 -1.0 2.0
   63    40    70    71  10.50000 -1.0 2.0
   40    64    43    46   1.10000 -1.0 2.0
   48    72    46    43   1.10000 -1.0 2.0
   46    51    48    52   1.10000 -1.0 2.0
   48    59    51    57   1.10000 -1.0 2.0
   64    58    57    51   1.10000 -1.0 2.0
   43    57    64    65  10.50000 -1.0 2.0
   61    53    52    48   1.10000 -1.0 2.0
   52    62    61    66   1.10000 -1.0 2.0
   72    67    66    61   1.10000 -1.0 2.0
   46    66    72    73  10.50000 -1.0 2.0
END
