* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    144    231     437
    1     0 S   NP   _N1_     1    29.22933    93.27682   -23.38824
    2     1 S   H    _HN1     2     1.02777   103.94148   -87.46797
    3     1 S   H    _H1_     3     1.02955    89.57208    21.36860
    4     1 S   H    _H2_     4     1.02829    20.87237   168.77658
    5     1 S   CT   _CA1     5     1.50128   129.17595   137.66924
    6     5 S   HC   _HA1     6     1.09572   105.20495    70.55701
    7     5 S   CO3  _C1_     7     1.53794   112.41981   -49.64472
    8     7 S   O2Z  _O11     8     1.26369   114.99681   -42.10051
    9     7 S   O2Z  _O12     9     1.26238   114.94669   136.98946
   10     5 S   CT   _CB1    10     1.53076   107.41348  -171.47569
   11    10 S   HC   HB11    11     1.09828   109.35864   -49.80866
   12    10 S   HC   HB12    12     1.09829   110.43789    66.77340
   13    10 S   CT   _CG1    13     1.53003   112.65239  -170.84921
   14    13 S   HC   HG11    14     1.09587   110.49469   -64.46555
   15    13 S   HC   HG12    15     1.09655   109.97791    54.83434
   16    13 S   C    _CD1    16     1.51743   112.21167   175.18322
   17    16 S   O    _OE1    17     1.22797   123.23753     0.63304
   18    16 S   N    _N2_    18     1.38627   111.74011  -179.62675
   19    18 S   H    _HN2    19     1.01585   119.16656     0.82329
   20    18 S   CT1  _CA2    20     1.46066   123.13254   179.52194
   21    20 S   HC   _HA2    21     1.09539   109.06161    -7.90458
   22    20 S   C    _C2_    22     1.53470   108.64270  -122.63189
   23    22 S   O    _O2_    23     1.23032   122.39371  -149.35375
   24    20 S   CT   _CB2    32     1.53461   112.07329   114.61217
   25    24 S   HC   HB21    33     1.09663   109.36944    65.39365
   26    24 S   HC   HB22    34     1.09492   110.52942  -177.79868
   27    22 S   N    _N3_    24     1.38388   113.51308    38.23956
   28    27 S   H    _HN3    25     1.01626   119.45732    -3.74622
   29    24 S   S    _SG2    35     1.83233   114.90214   -53.80083
   30    27 S   CT   _CA3    26     1.45268   123.13800   176.86019
   31    30 S   HC   HA31    27     1.09552   107.55261   -63.24962
   32    30 S   HC   HA32    28     1.09558   107.92141    53.15559
   33    29 S   CT   _C12    36     1.83836   100.80415   -70.50947
   34    33 S   HC   _H5_    37     1.09354   104.32427    38.06388
   35    30 S   CO3  _C3_    29     1.52931   114.13347   175.12991
   36    35 S   O2Z  _O31    30     1.26367   116.06852    -0.42290
   37    35 S   O2Z  _O32    31     1.26429   114.40815   179.62938
   38    33 S   CM   _C13    38     1.53878   117.15297   -80.93954
   39    33 S   CT   _C11    53     1.55910   108.72068   151.48535
   40    39 S   HC   _H4_    54     1.09515   109.92905    61.47526
   41    38 S   CT   _C15    39     1.54304   110.14952   176.62838
   42    39 S   OH   _O36    55     1.42922   108.56342   -54.83319
   43    42 S   HO   _H18    56     0.97383   108.00378   -53.80551
   44    38 S   CMA  _C14    74     1.36072   128.05917    -6.31317
   45    44 S   OM   _O33    75     1.25885   135.13055     0.09279
   46    44 S   HC   _H15    76     1.08773   113.12110  -178.92845
   47    41 S   CT   _C5_    40     1.58586   109.74485    62.23683
   48    41 S   CO4  _C16    69     1.54009   114.27693  -170.31527
   49    48 S   O    _O34    70     1.22918   124.37054   108.82216
   50    48 S   HC   _H16    71     1.10216   116.32018   -71.44840
   51    41 S   OH   _O35    72     1.43980   106.43540   -57.23138
   52    51 S   HO   _H17    73     0.97198   108.62592  -167.40562
   53    47 S   CT   _C6_    41     1.55295   110.34554   179.26193
   54    53 S   HC   _H9_    42     1.09656   110.20130    50.90766
   55    53 S   HC   _H10    43     1.09688   110.38691   -66.21528
   56    47 S   CT   _C4_    65     1.55580   108.86045    60.66233
   57    56 S   HC   _H6_    66     1.09293   112.96370   -65.74731
   58    56 S   HC   _H7_    67     1.08776   113.21719   172.56837
   59    56 S   HC   _H8_    68     1.09426   111.45291    54.74827
   60    53 S   CT   _C7_    44     1.52351   113.62253   171.92479
   61    60 S   HC   _H11    45     1.09395   111.38555    65.47402
   62    60 S   HC   _H12    46     1.09695   108.82069  -178.21633
   63    60 S   CT   _C8_    47     1.51892   111.06595   -58.37346
   64    63 S   HC   _H13    48     1.09789   108.75805   179.91377
   65    63 S   HC   _H14    49     1.09922   107.68540   -65.76208
   66    63 S   CT   _C9_    50     1.55235   114.87056    55.93727
   67    47 S   CT   _C10    51     1.58844   107.90838   -61.82391
   68    67 S   HC   _H3_    52     1.10194   105.45157   -55.56852
   69    66 S   CT   _C17    57     1.54034   110.08341    77.55909
   70    69 S   HC   _H19    58     1.09418   111.77304  -176.41439
   71    69 S   HC   _H20    59     1.09739   110.54738    64.81111
   72    69 S   HC   _H21    60     1.08841   113.42680   -53.70713
   73    66 S   CT   _C18    61     1.55571   104.96393  -168.86378
   74    73 S   HC   _H22    62     1.09355   112.53559  -163.36130
   75    73 S   HC   _H23    63     1.09547   111.52340    74.35135
   76    73 S   HC   _H24    64     1.09732   110.93084   -45.05463
  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
  16   7   2   1   1  16  14   6  20   5   1   5   1   1  21   7
   2   1   4   1  15   7   6   7   3   2   1   9   5   4  13   5
   4  10   9   2   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    67    39    40    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    47    66    67    68    39    40    42    43    48    51    44    45    46  
   38    41    67    39    40    42    44  
   36    37  
   37  
    0  
   41    47    53    67    39    40    42    56    48    49    50    51    52    44    45    46  
   40    42    43    69    73    56    44    41    47    53    63    66    67    68  
   42    43    47    66    67    68  
   47    53    54    55    60    66    67    68    56    57    58    59    48    49    50    51    52    44    45    46  
   43    47    66    67    68  
   67  
   45    46    47    48    51  
   46  
    0  
   53    54    55    60    61    62    63    66    67    68    69    73    56    57    58    59    48    49    50    51    52  
   49    50    51    52    53    56    67  
   50    51  
   51  
   52    53    56    67  
    0  
   54    55    60    61    62    63    64    65    66    67    68    56    57    58    59  
   55    60    61    62    63    67    56  
   60    61    62    63    67    56  
   57    58    59    60    66    67    68  
   58    59    67  
   59    67  
   67  
   61    62    63    64    65    66    67    69    73  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70    71    72    73    74    75    76  
   65    66    67    69    73  
   66    67    69    73  
   67    68    69    70    71    72    73    74    75    76  
   68    69    70    71    72    73    74    75    76  
   69    73  
   70    71    72    73    74    75    76  
   71    72    73  
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   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   317.000  1.510
   33    39   268.000  1.529
   38    41   317.000  1.510
   38    44   465.000  1.376
   41    47   268.000  1.529
   41    48   317.000  1.522
   41    51   320.000  1.410
   47    53   268.000  1.529
   47    67   268.000  1.529
   47    56   268.000  1.529
   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   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   268.000  1.529
   66    69   268.000  1.529
   66    73   268.000  1.529
   67    68   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   48    49   570.000  1.229
   48    50   340.000  1.090
   51    52   553.000  0.945
   44    45   745.000  1.250
   44    46   335.000  1.111
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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    65.00000  117.92700
   33    38    44    70.00000  124.00000
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    47    70.00000  112.02700
   38    41    48    70.00000  109.06800
   38    41    51    90.00000  110.39200
   38    44    45    65.00000  137.10300
   38    44    46    45.00000  105.30000
   41    47    53    58.35000  112.70000
   41    47    67    58.35000  112.70000
   41    47    56    58.35000  112.70000
   41    48    49    80.00000  120.40000
   41    48    50    35.00000  115.00000
   41    51    52    55.00000  108.50000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    60    58.35000  112.70000
   47    67    66    58.35000  112.70000
   47    67    68    37.50000  110.70000
   47    67    39    58.35000  112.70000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    59    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    58.35000  112.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    58.35000  112.70000
   63    66    69    58.35000  112.70000
   63    66    73    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    39    58.35000  112.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    37.50000  110.70000
   67    47    53    58.35000  112.70000
   67    39    40    37.50000  110.70000
   67    39    42    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    67    68    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   69    66    67    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    66    67    58.35000  112.70000
   73    66    69    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   56    47    53    58.35000  112.70000
   56    47    67    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   48    41    47    63.00000  111.10000
   50    48    49    35.00000  123.00000
   51    41    47    50.00000  109.50000
   51    41    48    90.00000  109.61100
   44    38    41    70.00000  124.00000
   46    44    45    50.00000  124.16400
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    38    41    47   0.46850  1.0 1.0
   33    38    41    47   0.08550 -1.0 2.0
   33    38    41    47   0.09800  1.0 3.0
   33    38    41    48   0.17250  1.0 1.0
   33    38    41    48  -0.04100 -1.0 2.0
   33    38    41    48  -0.33850  1.0 3.0
   33    38    41    51   0.18000  1.0 1.0
   33    38    41    51   0.16450 -1.0 2.0
   33    38    41    51   0.04450  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    39    67   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    42   1.05650  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42   0.53150  1.0 3.0
   38    41    47    53   0.34400  1.0 1.0
   38    41    47    53   0.09450 -1.0 2.0
   38    41    47    53   0.11100  1.0 3.0
   38    41   -47    67   0.34400  1.0 1.0
   38    41   -47    67   0.09450 -1.0 2.0
   38    41   -47    67   0.11100  1.0 3.0
   38    41    47    56   0.34400  1.0 1.0
   38    41    47    56   0.09450 -1.0 2.0
   38    41    47    56   0.11100  1.0 3.0
   38    41    48    49   0.30150 -1.0 2.0
   38    41    48    50   0.81450  1.0 1.0
   38    41    48    50  -0.29600 -1.0 2.0
   38    41    48    50   0.60450  1.0 3.0
   38    41    51    52  -0.07800  1.0 1.0
   38    41    51    52  -0.21500 -1.0 2.0
   38    41    51    52  -0.03150  1.0 3.0
   41    38    44    45   7.00000 -1.0 2.0
   41    38    44    46   7.00000 -1.0 2.0
   41    47    53    54   0.15000  1.0 3.0
   41    47    53    55   0.15000  1.0 3.0
   41    47    53    60   0.56750  1.0 1.0
   41    47    53    60  -0.07550 -1.0 2.0
   41    47    53    60   0.20000  1.0 3.0
   41    47    67    66   0.56750  1.0 1.0
   41    47    67    66  -0.07550 -1.0 2.0
   41    47    67    66   0.20000  1.0 3.0
   41    47    67    68   0.15000  1.0 3.0
   41    47    67    39   0.56750  1.0 1.0
   41    47    67    39  -0.07550 -1.0 2.0
   41    47    67    39   0.20000  1.0 3.0
   41    47    56    57   0.15000  1.0 3.0
   41    47    56    58   0.15000  1.0 3.0
   41    47    56    59   0.15000  1.0 3.0
   47    41    48    49   0.30150 -1.0 2.0
   47    41    48    50   0.74550  1.0 1.0
   47    41    48    50  -0.00500 -1.0 2.0
   47    41    51    52  -0.11600  1.0 1.0
   47    41    51    52  -0.09450 -1.0 2.0
   47    41    51    52   0.21250  1.0 3.0
   47    53    60    61   0.15000  1.0 3.0
   47    53    60    62   0.15000  1.0 3.0
   47    53    60    63   0.56750  1.0 1.0
   47    53    60    63  -0.07550 -1.0 2.0
   47    53    60    63   0.20000  1.0 3.0
   47    67   -39    33   0.56750  1.0 1.0
   47    67   -39    33  -0.07550 -1.0 2.0
   47    67   -39    33   0.20000  1.0 3.0
   47    67    39    40   0.15000  1.0 3.0
   47    67    39    42   0.86500  1.0 1.0
   47    67    39    42  -0.17500 -1.0 2.0
   47    67    39    42   0.20800  1.0 3.0
   53    47    67    66   0.56750  1.0 1.0
   53    47    67    66  -0.07550 -1.0 2.0
   53    47    67    66   0.20000  1.0 3.0
   53    47    67    68   0.15000  1.0 3.0
   53    47    67    39   0.56750  1.0 1.0
   53    47    67    39  -0.07550 -1.0 2.0
   53    47    67    39   0.20000  1.0 3.0
   53    47    56    57   0.15000  1.0 3.0
   53    47    56    58   0.15000  1.0 3.0
   53    47    56    59   0.15000  1.0 3.0
   53    60    63    64   0.15000  1.0 3.0
   53    60    63    65   0.15000  1.0 3.0
   53    60   -63    66   0.56750  1.0 1.0
   53    60   -63    66  -0.07550 -1.0 2.0
   53    60   -63    66   0.20000  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    63   0.15000  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    63   0.15000  1.0 3.0
   60    63    66    67   0.56750  1.0 1.0
   60    63    66    67  -0.07550 -1.0 2.0
   60    63    66    67   0.20000  1.0 3.0
   60    63    66    69   0.56750  1.0 1.0
   60    63    66    69  -0.07550 -1.0 2.0
   60    63    66    69   0.20000  1.0 3.0
   60    63    66    73   0.56750  1.0 1.0
   60    63    66    73  -0.07550 -1.0 2.0
   60    63    66    73   0.20000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66   -67    47   0.56750  1.0 1.0
   63    66   -67    47  -0.07550 -1.0 2.0
   63    66   -67    47   0.20000  1.0 3.0
   63    66    67    68   0.15000  1.0 3.0
   63    66    67    39   0.56750  1.0 1.0
   63    66    67    39  -0.07550 -1.0 2.0
   63    66    67    39   0.20000  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66    69    72   0.15000  1.0 3.0
   63    66    73    74   0.15000  1.0 3.0
   63    66    73    75   0.15000  1.0 3.0
   63    66    73    76   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    63    66    73   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   65    63    66    73   0.15000  1.0 3.0
   66    67    39    33   0.56750  1.0 1.0
   66    67    39    33  -0.07550 -1.0 2.0
   66    67    39    33   0.20000  1.0 3.0
   66    67    39    40   0.15000  1.0 3.0
   66    67    39    42   0.86500  1.0 1.0
   66    67    39    42  -0.17500 -1.0 2.0
   66    67    39    42   0.20800  1.0 3.0
   67    47    53    54   0.15000  1.0 3.0
   67    47    53    55   0.15000  1.0 3.0
   67    47   -53    60   0.56750  1.0 1.0
   67    47   -53    60  -0.07550 -1.0 2.0
   67    47   -53    60   0.20000  1.0 3.0
   67    47    56    57   0.15000  1.0 3.0
   67    47    56    58   0.15000  1.0 3.0
   67    47    56    59   0.15000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.15000  1.0 3.0
   67    39    42    43  -0.11600  1.0 1.0
   67    39    42    43  -0.09450 -1.0 2.0
   67    39    42    43   0.21250  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    42   0.23400  1.0 3.0
   39    33   -38    41   0.46850  1.0 1.0
   39    33   -38    41   0.08550 -1.0 2.0
   39    33   -38    41   0.09800  1.0 3.0
   39    33    38    44   0.09850  1.0 1.0
   39    33    38    44   0.15250 -1.0 2.0
   39    33    38    44  -0.50650  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   69    66    67    47   0.56750  1.0 1.0
   69    66    67    47  -0.07550 -1.0 2.0
   69    66    67    47   0.20000  1.0 3.0
   69    66    67    68   0.15000  1.0 3.0
   69    66    67    39   0.56750  1.0 1.0
   69    66    67    39  -0.07550 -1.0 2.0
   69    66    67    39   0.20000  1.0 3.0
   69    66    73    74   0.15000  1.0 3.0
   69    66    73    75   0.15000  1.0 3.0
   69    66    73    76   0.15000  1.0 3.0
   73    66    67    47   0.56750  1.0 1.0
   73    66    67    47  -0.07550 -1.0 2.0
   73    66    67    47   0.20000  1.0 3.0
   73    66    67    68   0.15000  1.0 3.0
   73    66    67    39   0.56750  1.0 1.0
   73    66    67    39  -0.07550 -1.0 2.0
   73    66    67    39   0.20000  1.0 3.0
   73    66    69    70   0.15000  1.0 3.0
   73    66    69    71   0.15000  1.0 3.0
   73    66    69    72   0.15000  1.0 3.0
   56    47    53    54   0.15000  1.0 3.0
   56    47    53    55   0.15000  1.0 3.0
   56    47    53    60   0.56750  1.0 1.0
   56    47    53    60  -0.07550 -1.0 2.0
   56    47    53    60   0.20000  1.0 3.0
   56    47    67    66   0.56750  1.0 1.0
   56    47    67    66  -0.07550 -1.0 2.0
   56    47    67    66   0.20000  1.0 3.0
   56    47    67    68   0.15000  1.0 3.0
   56    47    67    39   0.56750  1.0 1.0
   56    47    67    39  -0.07550 -1.0 2.0
   56    47    67    39   0.20000  1.0 3.0
   48    41    47    53  -0.95700  1.0 1.0
   48    41    47    53  -0.18200 -1.0 2.0
   48    41    47    53   0.29450  1.0 3.0
   48    41    47    67  -0.95700  1.0 1.0
   48    41    47    67  -0.18200 -1.0 2.0
   48    41    47    67   0.29450  1.0 3.0
   48    41    47    56  -0.95700  1.0 1.0
   48    41    47    56  -0.18200 -1.0 2.0
   48    41    47    56   0.29450  1.0 3.0
   48    41    51    52   0.91850  1.0 1.0
   48    41    51    52   0.57950  1.0 3.0
   51    41    47    53   0.86500  1.0 1.0
   51    41    47    53  -0.17500 -1.0 2.0
   51    41    47    53   0.20800  1.0 3.0
   51    41    47    67   0.86500  1.0 1.0
   51    41    47    67  -0.17500 -1.0 2.0
   51    41    47    67   0.20800  1.0 3.0
   51    41    47    56   0.86500  1.0 1.0
   51    41    47    56  -0.17500 -1.0 2.0
   51    41    47    56   0.20800  1.0 3.0
   51    41    48    49   0.30150 -1.0 2.0
   51    41    48    50   0.00000  1.0 1.0
   44    38    41    47   0.09850  1.0 1.0
   44    38    41    47   0.15250 -1.0 2.0
   44    38    41    47  -0.50650  1.0 3.0
   44    38    41    48  -0.51250  1.0 1.0
   44    38    41    48  -0.88800 -1.0 2.0
   44    38    41    48   0.08850  1.0 3.0
   44    38    41    51   0.67800  1.0 1.0
   44    38    41    51   0.47050 -1.0 2.0
   44    38    41    51  -0.62500  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    44   1.10000 -1.0 2.0
   41    50    48    49  10.50000 -1.0 2.0
   45    46    44    38   1.10000 -1.0 2.0
END
