* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    237     440
    1     0 S   NP   _N1_     1    28.70476    97.23923   -23.39133
    2     1 S   H    _HN1     2     1.02788   104.93130   -90.37423
    3     1 S   H    _H1_     3     1.02949    66.62761    13.51413
    4     1 S   H    _H2_     4     1.02829    43.86617   169.18599
    5     1 S   CT   _CA1     5     1.50109   141.05696   107.51082
    6     5 S   HC   _HA1     6     1.09573   105.19218    99.95263
    7     5 S   CO3  _C1_     7     1.53788   112.48897   -20.28603
    8     7 S   O2Z  _O11     8     1.26371   115.01010   -42.19705
    9     7 S   O2Z  _O12     9     1.26242   114.94839   136.95860
   10     5 S   CT   _CB1    10     1.53080   107.42618  -142.05466
   11    10 S   HC   HB11    11     1.09833   109.37424   -49.65586
   12    10 S   HC   HB12    12     1.09812   110.44861    66.95887
   13    10 S   CT   _CG1    13     1.52989   112.59818  -170.62684
   14    13 S   HC   HG11    14     1.09580   110.63891   -65.79061
   15    13 S   HC   HG12    15     1.09671   109.77060    53.43604
   16    13 S   C    _CD1    16     1.51800   112.23077   173.90478
   17    16 S   O    _OE1    17     1.22730   123.27105     7.39972
   18    16 S   N    _N2_    18     1.38642   111.64778  -172.63393
   19    18 S   H    _HN2    19     1.01571   118.97320     1.76791
   20    18 S   CT1  _CA2    20     1.46261   123.48240   177.57691
   21    20 S   HC   _HA2    21     1.09738   109.29762     4.82893
   22    20 S   C    _C2_    22     1.53629   108.78620  -110.63438
   23    22 S   O    _O2_    23     1.23059   122.32127  -149.48875
   24    20 S   CT   _CB2    32     1.53352   111.45146   126.78513
   25    24 S   HC   HB21    33     1.09579   109.95732    55.85212
   26    24 S   HC   HB22    34     1.09447   110.06525   175.08227
   27    22 S   N    _N3_    24     1.38344   113.79409    38.06132
   28    27 S   H    _HN3    25     1.01558   119.57703    -3.31434
   29    24 S   S    _SG2    35     1.82765   111.33069   -65.06872
   30    27 S   CT   _CA3    26     1.45275   123.23501   177.14343
   31    30 S   HC   HA31    27     1.09548   107.51331   -64.72943
   32    30 S   HC   HA32    28     1.09556   107.99367    51.72092
   33    29 S   CT   _C13    36     1.84650    99.73090   169.42047
   34    33 S   HC   _H9_    37     1.09952   104.18586   -59.21131
   35    30 S   CO3  _C3_    29     1.52959   114.06078   173.72277
   36    35 S   O2Z  _O31    30     1.26379   116.07593    -0.42011
   37    35 S   O2Z  _O32    31     1.26427   114.41357   179.63684
   38    33 S   CT   _C12    38     1.56636   113.00777    64.39439
   39    38 S   OM   _O34    39     1.32404   107.29551  -112.56529
   40    38 S   HC   _H8_    40     1.09886   108.84430    18.63440
   41    38 S   CT   _C11    41     1.57477   104.10678   131.47799
   42    41 S   HC   _H7_    42     1.10089   106.79471    82.33388
   43    41 S   CT   _C5_    43     1.54847   115.62769  -159.20104
   44    43 S   HC   _H3_    44     1.09792   108.86897    53.25531
   45    41 S   CT   _C10    61     1.56722   104.52695   -31.78181
   46    43 S   CT   _C6_    45     1.53958   112.86651   172.13353
   47    46 S   HC   _H14    46     1.09933   109.52540   164.07016
   48    46 S   HC   _H15    47     1.09657   109.61037   -84.17131
   49    33 S   CT   _C14    62     1.54962   113.93848  -175.15892
   50    49 S   HC   _H10    63     1.09900   106.86907   141.45577
   51    45 S   CT   _C15    66     1.55091   113.13560   -72.75623
   52    51 S   HC   _H17    67     1.09587   110.97828   171.78621
   53    51 S   HC   _H18    68     1.09146   113.30381    50.69950
   54    51 S   HC   _H19    69     1.09473   111.52634   -69.09859
   55    43 S   CT   _C4_    72     1.53614   112.37875   -64.22616
   56    55 S   HC   _H11    73     1.09490   111.49881   -55.20913
   57    55 S   HC   _H12    74     1.09573   110.97579  -175.45308
   58    55 S   HC   _H13    75     1.09363   111.39014    66.31848
   59    46 S   CT   _C7_    48     1.53486   116.49160    40.72163
   60    59 S   HC   _H4_    49     1.09744   109.47117    61.82771
   61    49 S   OH   _O33    64     1.41647   114.28864    23.94242
   62    61 S   HO   _H16    65     0.97247   107.44418    38.23260
   63    59 S   CT   _C8_    50     1.54035   117.98259   -65.11667
   64    63 S   HC   _H5_    51     1.09690   110.63336   107.65264
   65    63 S   CM   _C16    52     1.49497   100.32903  -138.42211
   66    63 S   CT   _C9_    59     1.54542   113.90242   -15.86216
   67    66 S   HC   _H6_    60     1.09660   107.40350   -50.07407
   68    65 S   CO4  _C18    53     1.46984   110.14658    18.03258
   69    68 S   O    _O36    54     1.21743   127.14548   170.47214
   70    65 S   CM   _C17    56     1.33662   128.43182  -157.82249
   71    70 S   HC   _H21    57     1.08475   120.86629    -2.06251
   72    70 S   HC   _H22    58     1.08514   121.80607   177.84314
   73    66 S   OH   _O35    70     1.43056   110.49731  -162.61972
   74    73 S   HO   _H20    71     0.97129   108.44566   -60.42193
   75    59 S   OS   _O37    55     1.44902   105.69998   176.15539
  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
  14   8   2   1   1  14   6   5  23   8  16   9  18  14   6   5
  11   4   8   3   2   1   4   2   1   1  11   6   2   1  12   7
   9   6   2   5   2   3   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    49    50    61  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    66    45    49    50    61    62    51  
   38    39    40    41    45    49    50    61  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    66    45    49    50    61    51    55  
   40    41    42    43    45    49  
   41    42    43    45    49  
   42    43    44    46    47    48    59    63    66    67    45    49    50    61    51    52    53    54    73    55    56    57    58  
   43    44    46    66    45    49    51    55  
   44    46    47    48    59    60    63    75    66    45    49    51    55    56    57    58  
   46    47    48    59    45    55    56    57    58  
   49    50    61    62    51    52    53    54    73    74    55    46    59    63    64    65    66    67  
   47    48    59    60    63    64    65    68    75    66    55    56    57    58  
   48    59    60    63    75    55  
   59    60    63    75    55  
   50    61    62    51    52    53    54    73    63    66    67  
   61    62    51    66  
   52    53    54    73    61    63    66    67  
   53    54    66  
   54    66  
   66  
   56    57    58    59  
   57    58  
   58  
    0  
   60    63    64    65    68    69    75    70    66    67    73  
   63    64    65    68    75    66  
   62    66  
    0  
   64    65    68    69    75    70    71    72    66    67    73    74  
   65    68    75    70    66    67    73  
   68    69    75    70    71    72    66    67    73  
   67    73    74    68    70    75  
   73    74  
   69    75    70    71    72  
   75    70  
   71    72    75  
   72  
    0  
   74  
    0  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    49   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   268.000  1.529
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    55   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    59   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    75   320.000  1.410
   63    64   340.000  1.090
   63    65   317.000  1.510
   63    66   268.000  1.529
   65    68   320.000  1.462
   65    70   549.000  1.340
   68    69   570.000  1.229
   68    75   214.000  1.327
   70    71   340.000  1.080
   70    72   340.000  1.080
   66    67   340.000  1.090
   66    45   268.000  1.529
   66    73   320.000  1.410
   45    49   268.000  1.529
   45    51   268.000  1.529
   49    50   340.000  1.090
   49    61   320.000  1.410
   61    62   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   73    74   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    49    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    45    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    55    58.35000  112.70000
   41    45    66    58.35000  112.70000
   41    45    49    58.35000  112.70000
   41    45    51    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    59    58.35000  112.70000
   43    55    56    37.50000  110.70000
   43    55    57    37.50000  110.70000
   43    55    58    37.50000  110.70000
   46    43    44    37.50000  110.70000
   46    59    60    37.50000  110.70000
   46    59    63    58.35000  112.70000
   46    59    75    50.00000  109.50000
   48    46    47    33.00000  107.80000
   59    46    47    37.50000  110.70000
   59    46    48    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    70.00000  112.02700
   59    63    66    58.35000  112.70000
   59    75    68    83.00000  116.90000
   63    59    60    37.50000  110.70000
   63    65    68    65.00000  116.34900
   63    65    70    70.00000  124.00000
   63    66    67    37.50000  110.70000
   63    66    45    58.35000  112.70000
   63    66    73    50.00000  109.50000
   65    63    64    35.00000  109.50000
   65    68    69    80.00000  123.72100
   65    68    75    90.00000  111.29400
   65    70    71    35.00000  120.00000
   65    70    72    35.00000  120.00000
   75    59    60    35.00000  109.50000
   75    59    63    50.00000  109.50000
   75    68    69    83.00000  123.40000
   70    65    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   66    63    64    37.50000  110.70000
   66    63    65    70.00000  112.02700
   66    45    49    58.35000  112.70000
   66    45    51    58.35000  112.70000
   66    73    74    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    41    43    58.35000  112.70000
   45    66    67    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    61    50.00000  109.50000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    54    37.50000  110.70000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    61    62    55.00000  108.50000
   61    49    50    35.00000  109.50000
   51    45    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   73    66    67    35.00000  109.50000
   73    66    45    50.00000  109.50000
   55    43    44    37.50000  110.70000
   55    43    46    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    45   0.44750  1.0 1.0
   29    33    49    45  -0.17800 -1.0 2.0
   29    33    49    45   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    61   0.56750  1.0 1.0
   29    33    49    61  -0.07550 -1.0 2.0
   29    33    49    61   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38   -41    45   0.56750  1.0 1.0
   33    38   -41    45  -0.07550 -1.0 2.0
   33    38   -41    45   0.20000  1.0 3.0
   33    49    61    62  -0.11600  1.0 1.0
   33    49    61    62  -0.09450 -1.0 2.0
   33    49    61    62   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    45   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    61   0.23400  1.0 3.0
   38    33   -49    45   0.56750  1.0 1.0
   38    33   -49    45  -0.07550 -1.0 2.0
   38    33   -49    45   0.20000  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    61   0.86500  1.0 1.0
   38    33    49    61  -0.17500 -1.0 2.0
   38    33    49    61   0.20800  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    46   0.56750  1.0 1.0
   38    41    43    46  -0.07550 -1.0 2.0
   38    41    43    46   0.20000  1.0 3.0
   38    41    43    55   0.56750  1.0 1.0
   38    41    43    55  -0.07550 -1.0 2.0
   38    41    43    55   0.20000  1.0 3.0
   38    41    45    66   0.56750  1.0 1.0
   38    41    45    66  -0.07550 -1.0 2.0
   38    41    45    66   0.20000  1.0 3.0
   38    41   -45    49   0.56750  1.0 1.0
   38    41   -45    49  -0.07550 -1.0 2.0
   38    41   -45    49   0.20000  1.0 3.0
   38    41    45    51   0.56750  1.0 1.0
   38    41    45    51  -0.07550 -1.0 2.0
   38    41    45    51   0.20000  1.0 3.0
   39    38    41    42   0.23400  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    45   0.62750  1.0 1.0
   39    38    41    45  -0.30950 -1.0 2.0
   39    38    41    45   0.27300  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    45   0.15000  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    48   0.15000  1.0 3.0
   41    43    46    59   0.56750  1.0 1.0
   41    43    46    59  -0.07550 -1.0 2.0
   41    43    46    59   0.20000  1.0 3.0
   41    43    55    56   0.15000  1.0 3.0
   41    43    55    57   0.15000  1.0 3.0
   41    43    55    58   0.15000  1.0 3.0
   41    45   -49    33   0.56750  1.0 1.0
   41    45   -49    33  -0.07550 -1.0 2.0
   41    45   -49    33   0.20000  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    61   0.86500  1.0 1.0
   41    45    49    61  -0.17500 -1.0 2.0
   41    45    49    61   0.20800  1.0 3.0
   41    45    51    52   0.15000  1.0 3.0
   41    45    51    53   0.15000  1.0 3.0
   41    45    51    54   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    55   0.15000  1.0 3.0
   42    41    45    66   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    45    51   0.15000  1.0 3.0
   43    41    45    66   0.56750  1.0 1.0
   43    41    45    66  -0.07550 -1.0 2.0
   43    41    45    66   0.20000  1.0 3.0
   43    41    45    49   0.56750  1.0 1.0
   43    41    45    49  -0.07550 -1.0 2.0
   43    41    45    49   0.20000  1.0 3.0
   43    41    45    51   0.56750  1.0 1.0
   43    41    45    51  -0.07550 -1.0 2.0
   43    41    45    51   0.20000  1.0 3.0
   43    46    59    60   0.15000  1.0 3.0
   43    46    59    63   0.56750  1.0 1.0
   43    46    59    63  -0.07550 -1.0 2.0
   43    46    59    63   0.20000  1.0 3.0
   43    46    59    75   0.62750  1.0 1.0
   43    46    59    75  -0.30950 -1.0 2.0
   43    46    59    75   0.27300  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    59   0.15000  1.0 3.0
   44    43    55    56   0.15000  1.0 3.0
   44    43    55    57   0.15000  1.0 3.0
   44    43    55    58   0.15000  1.0 3.0
   46    43    55    56   0.15000  1.0 3.0
   46    43    55    57   0.15000  1.0 3.0
   46    43    55    58   0.15000  1.0 3.0
   46    59    63    64   0.15000  1.0 3.0
   46    59    63    65   0.34400  1.0 1.0
   46    59    63    65   0.09450 -1.0 2.0
   46    59    63    65   0.11100  1.0 3.0
   46    59    63    66   0.56750  1.0 1.0
   46    59    63    66  -0.07550 -1.0 2.0
   46    59    63    66   0.20000  1.0 3.0
   46    59    75    68  -0.25900  1.0 1.0
   46    59    75    68  -0.47000 -1.0 2.0
   46    59    75    68   0.11750  1.0 3.0
   47    46    59    60   0.15000  1.0 3.0
   47    46    59    63   0.15000  1.0 3.0
   47    46    59    75   0.23400  1.0 3.0
   48    46    59    60   0.15000  1.0 3.0
   48    46    59    63   0.15000  1.0 3.0
   48    46    59    75   0.23400  1.0 3.0
   59    63   -65    68   0.09700  1.0 1.0
   59    63   -65    68   0.15600 -1.0 2.0
   59    63   -65    68  -0.50800  1.0 3.0
   59    63    65    70   0.09850  1.0 1.0
   59    63    65    70   0.15250 -1.0 2.0
   59    63    65    70  -0.50650  1.0 3.0
   59    63    66    67   0.15000  1.0 3.0
   59    63    66    45   0.56750  1.0 1.0
   59    63    66    45  -0.07550 -1.0 2.0
   59    63    66    45   0.20000  1.0 3.0
   59    63    66    73   0.86500  1.0 1.0
   59    63    66    73  -0.17500 -1.0 2.0
   59    63    66    73   0.20800  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    59    75    68   0.08050  1.0 3.0
   63    59   -75    68  -0.25900  1.0 1.0
   63    59   -75    68  -0.47000 -1.0 2.0
   63    59   -75    68   0.11750  1.0 3.0
   63    65    68    69  -0.64400  1.0 1.0
   63    65    68    69   0.26850 -1.0 2.0
   63    65   -68    75  -0.15000  1.0 1.0
   63    65   -68    75   0.89550 -1.0 2.0
   63    65   -68    75  -0.06900  1.0 3.0
   63    65    70    71   7.00000 -1.0 2.0
   63    65    70    72   7.00000 -1.0 2.0
   63    66    45    41   0.56750  1.0 1.0
   63    66    45    41  -0.07550 -1.0 2.0
   63    66    45    41   0.20000  1.0 3.0
   63    66    45    49   0.56750  1.0 1.0
   63    66    45    49  -0.07550 -1.0 2.0
   63    66    45    49   0.20000  1.0 3.0
   63    66    45    51   0.56750  1.0 1.0
   63    66    45    51  -0.07550 -1.0 2.0
   63    66    45    51   0.20000  1.0 3.0
   63    66    73    74  -0.11600  1.0 1.0
   63    66    73    74  -0.09450 -1.0 2.0
   63    66    73    74   0.21250  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   64    63    65    70   0.00000  1.0 1.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    45   0.15000  1.0 3.0
   64    63    66    73   0.23400  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    45   0.34400  1.0 1.0
   65    63    66    45   0.09450 -1.0 2.0
   65    63    66    45   0.11100  1.0 3.0
   65    63    66    73   1.05650  1.0 1.0
   65    63    66    73   0.15600 -1.0 2.0
   65    63    66    73   0.53150  1.0 3.0
   65    68   -75    59   2.00000 -1.0 2.0
   68    65    70    71   7.00000 -1.0 2.0
   68    65    70    72   7.00000 -1.0 2.0
   69    68    75    59   3.00000 -1.0 2.0
   75    59    63    64   0.23400  1.0 3.0
   75    59   -63    65   0.61850  1.0 1.0
   75    59   -63    65  -0.22750 -1.0 2.0
   75    59   -63    65   0.15300  1.0 3.0
   75    59    63    66   0.62750  1.0 1.0
   75    59    63    66  -0.30950 -1.0 2.0
   75    59    63    66   0.27300  1.0 3.0
   70    65    68    69   1.00000 -1.0 2.0
   70    65    68    75  -0.56150  1.0 1.0
   70    65    68    75   2.19150 -1.0 2.0
   66    63    65    68   0.09700  1.0 1.0
   66    63    65    68   0.15600 -1.0 2.0
   66    63    65    68  -0.50800  1.0 3.0
   66    63    65    70   0.09850  1.0 1.0
   66    63    65    70   0.15250 -1.0 2.0
   66    63    65    70  -0.50650  1.0 3.0
   66    45    49    33   0.56750  1.0 1.0
   66    45    49    33  -0.07550 -1.0 2.0
   66    45    49    33   0.20000  1.0 3.0
   66    45    49    50   0.15000  1.0 3.0
   66    45    49    61   0.86500  1.0 1.0
   66    45    49    61  -0.17500 -1.0 2.0
   66    45    49    61   0.20800  1.0 3.0
   66    45    51    52   0.15000  1.0 3.0
   66    45    51    53   0.15000  1.0 3.0
   66    45    51    54   0.15000  1.0 3.0
   67    66    45    41   0.15000  1.0 3.0
   67    66    45    49   0.15000  1.0 3.0
   67    66    45    51   0.15000  1.0 3.0
   67    66    73    74   0.19450  1.0 3.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    46   0.56750  1.0 1.0
   45    41    43    46  -0.07550 -1.0 2.0
   45    41    43    46   0.20000  1.0 3.0
   45    41    43    55   0.56750  1.0 1.0
   45    41    43    55  -0.07550 -1.0 2.0
   45    41    43    55   0.20000  1.0 3.0
   45    66    73    74  -0.11600  1.0 1.0
   45    66    73    74  -0.09450 -1.0 2.0
   45    66    73    74   0.21250  1.0 3.0
   45    49    61    62  -0.11600  1.0 1.0
   45    49    61    62  -0.09450 -1.0 2.0
   45    49    61    62   0.21250  1.0 3.0
   49    33    38    39   0.62750  1.0 1.0
   49    33    38    39  -0.30950 -1.0 2.0
   49    33    38    39   0.27300  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    45    51    52   0.15000  1.0 3.0
   49    45    51    53   0.15000  1.0 3.0
   49    45    51    54   0.15000  1.0 3.0
   50    49    61    62   0.19450  1.0 3.0
   51    45    49    33   0.56750  1.0 1.0
   51    45    49    33  -0.07550 -1.0 2.0
   51    45    49    33   0.20000  1.0 3.0
   51    45    49    50   0.15000  1.0 3.0
   51    45    49    61   0.86500  1.0 1.0
   51    45    49    61  -0.17500 -1.0 2.0
   51    45    49    61   0.20800  1.0 3.0
   73    66    45    41   0.86500  1.0 1.0
   73    66    45    41  -0.17500 -1.0 2.0
   73    66    45    41   0.20800  1.0 3.0
   73    66    45    49   0.86500  1.0 1.0
   73    66    45    49  -0.17500 -1.0 2.0
   73    66    45    49   0.20800  1.0 3.0
   73    66    45    51   0.86500  1.0 1.0
   73    66    45    51  -0.17500 -1.0 2.0
   73    66    45    51   0.20800  1.0 3.0
   55    43    46    47   0.15000  1.0 3.0
   55    43    46    48   0.15000  1.0 3.0
   55    43    46    59   0.56750  1.0 1.0
   55    43    46    59  -0.07550 -1.0 2.0
   55    43    46    59   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   63    68    65    70   1.10000 -1.0 2.0
   65    75    68    69  10.50000 -1.0 2.0
   71    72    70    65   1.10000 -1.0 2.0
END
