* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    148    240     444
    1     0 S   NP   _N1_     1    28.67796    95.68796   -22.90278
    2     1 S   H    _HN1     2     1.02780    99.83468   -83.67784
    3     1 S   H    _H1_     3     1.02952    77.59762    23.13525
    4     1 S   H    _H2_     4     1.02829    35.34577   169.18459
    5     1 S   CT   _CA1     5     1.50111   141.23897   130.34758
    6     5 S   HC   _HA1     6     1.09573   105.21196    82.02124
    7     5 S   CO3  _C1_     7     1.53794   112.43889   -38.21862
    8     7 S   O2Z  _O11     8     1.26370   114.99470   -42.66825
    9     7 S   O2Z  _O12     9     1.26238   114.94291   136.47476
   10     5 S   CT   _CB1    10     1.53085   107.42787  -159.99511
   11    10 S   HC   HB11    11     1.09828   109.38331   -49.93211
   12    10 S   HC   HB12    12     1.09814   110.43700    66.68065
   13    10 S   CT   _CG1    13     1.52973   112.59494  -170.94397
   14    13 S   HC   HG11    14     1.09572   110.54392   -64.75064
   15    13 S   HC   HG12    15     1.09667   109.85714    54.43778
   16    13 S   C    _CD1    16     1.51801   112.31000   174.84809
   17    16 S   O    _OE1    17     1.22721   123.31906     3.49088
   18    16 S   N    _N2_    18     1.38625   111.59253  -176.52847
   19    18 S   H    _HN2    19     1.01585   118.90772     1.50545
   20    18 S   CT1  _CA2    20     1.46106   123.43614   178.04886
   21    20 S   HC   _HA2    21     1.09739   109.37142    -3.25810
   22    20 S   C    _C2_    22     1.53499   108.33035  -118.60938
   23    22 S   O    _O2_    23     1.23042   122.35335  -147.62466
   24    20 S   CT   _CB2    32     1.53456   111.77936   118.90727
   25    24 S   HC   HB21    33     1.09374   110.22690    57.27875
   26    24 S   HC   HB22    34     1.09491   109.22437   175.59460
   27    22 S   N    _N3_    24     1.38354   113.57171    39.81689
   28    27 S   H    _HN3    25     1.01616   119.53337    -3.49878
   29    24 S   S    _SG2    35     1.83094   111.41752   -66.00520
   30    27 S   CT   _CA3    26     1.45285   123.16638   177.05038
   31    30 S   HC   HA31    27     1.09551   107.52124   -64.07512
   32    30 S   HC   HA32    28     1.09557   107.96060    52.34507
   33    29 S   CT   _C10    36     1.85962   103.24512   155.56067
   34    30 S   CO3  _C3_    29     1.52945   114.11138   174.32826
   35    34 S   O2Z  _O31    30     1.26371   116.06200    -0.83228
   36    34 S   O2Z  _O32    31     1.26429   114.41145   179.22620
   37    33 S   CT   _C9_    37     1.56108   111.78783    39.84832
   38    37 S   HC   _H13    38     1.09254   114.49682     3.29283
   39    37 S   HC   _H14    39     1.09622   110.59505  -115.86907
   40    33 S   CT   _C11    50     1.60676   115.42791   155.90637
   41    37 S   CT   _C8_    40     1.55161   107.61282   124.14232
   42    41 S   HC   _H4_    41     1.09651   110.08154   150.69211
   43    40 S   CT   _C15    51     1.53035   105.16048    89.66604
   44    43 S   HC   _H21    52     1.09185   113.18790   -86.93749
   45    43 S   HC   _H22    53     1.09240   112.71005   147.84591
   46    41 S   CT   _C12    62     1.54218   104.02468    30.64572
   47    41 S   CT   _C7_    42     1.54080   110.28854   -89.61948
   48    47 S   HC   _H11    43     1.09748   109.72843   -60.74228
   49    47 S   HC   _H12    44     1.09628   109.32506  -175.39849
   50    43 S   CO4  _C16    54     1.50197   104.16120    27.60678
   51    50 S   O    _O33    55     1.22681   122.49036   165.42339
   52    46 S   CT   _C13    63     1.55252   109.63733    76.10266
   53    52 S   HC   _H15    64     1.09383   111.89373  -164.48458
   54    52 S   HC   _H16    65     1.09807   110.59777    77.01919
   55    52 S   HC   _H17    66     1.08813   114.42749   -39.42356
   56    46 S   CT   _C14    67     1.55214   113.88125  -169.17556
   57    56 S   HC   _H18    68     1.09570   110.49499   173.11109
   58    56 S   HC   _H19    69     1.09101   115.28795    50.96916
   59    56 S   HC   _H20    70     1.09708   110.90136   -67.74897
   60    47 S   CT   _C6_    45     1.53337   114.37442    61.88223
   61    60 S   HC   _H9_    46     1.09768   108.72367   155.85994
   62    60 S   HC   _H10    47     1.09488   108.44188   -90.60489
   63    33 S   CT   _C17    56     1.57702   109.54970   -86.62713
   64    63 S   HC   _H5_    57     1.09022   110.60658   142.50271
   65    60 S   CT   _C5_    48     1.54503   114.58477    32.95356
   66    65 S   HC   _H3_    49     1.09480   106.68167    77.54939
   67    63 S   CT   _C18    58     1.52811   121.02026    18.78759
   68    67 S   HC   _H23    59     1.09450   112.61322   -63.16642
   69    67 S   HC   _H24    60     1.09705   110.02562   178.89164
   70    67 S   HC   _H25    61     1.09192   111.64921    60.97082
   71    65 S   CT   _C4_    71     1.53723   110.53133  -174.23693
   72    71 S   HC   _H6_    72     1.08758   114.58929    67.12157
   73    71 S   HC   _H7_    73     1.09717   109.55709   -52.23493
   74    71 S   HC   _H8_    74     1.09373   111.54249  -169.34207
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  25   2   1   1  18   7   6  29  19   7  14   6   5  17  10   5
   4   8   3   8   3   2   1   4   2   1   1   8   4   3   6   4
   5   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    63    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    65    40    43    50    63    64    67    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    60    65    66    40    43    44    45    50    51    63    64    67    68    69    70    46    52    56    71  
   35    36  
   36  
    0  
   38    39    41    42    47    48    49    60    65    40    43    50    63    64    67    46    52    56  
   39    41    42    47    40    63    46  
   41    42    47    40    63    46  
   43    44    45    50    51    63    64    67    46    52    53    54    55    56    57    58    59    71    72    73    74    41    42    47    60    61    62    65    66  
   42    47    48    49    60    61    62    65    43    63    46    52    53    54    55    56    57    58    59  
   47    48    49    60    46    52    56  
   44    45    50    51    63    64    67    46    52    56    71    60    65    66  
   45    50    51    63    46    65  
   50    51    63    46    65  
   52    53    54    55    56    57    58    59    71    47    48    49    50    60    63    65    66  
   48    49    60    61    62    65    66    52    56    71  
   49    60    61    62    65  
   60    61    62    65  
   51    63    64    67    68    69    70    65  
   63    64    67  
   53    54    55    56    57    58    59    65  
   54    55    56  
   55    56  
   56  
   57    58    59    65  
   58    59  
   59  
    0  
   61    62    65    66    71    72    73    74  
   62    65    66    71  
   65    66    71  
   64    67    68    69    70    65  
   67    68    69    70  
   66    71    72    73    74  
   71    72    73    74  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    63   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   268.000  1.529
   41    42   340.000  1.090
   41    47   268.000  1.529
   41    46   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    40   268.000  1.529
   65    71   268.000  1.529
   40    43   268.000  1.529
   40    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   317.000  1.522
   50    51   570.000  1.229
   50    63   317.000  1.522
   63    64   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   46    52   268.000  1.529
   46    56   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    63    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    40    65    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    46    58.35000  112.70000
   33    63    50    63.00000  111.10000
   33    63    64    37.50000  110.70000
   33    63    67    58.35000  112.70000
   37    41    42    37.50000  110.70000
   37    41    47    58.35000  112.70000
   37    41    46    58.35000  112.70000
   39    37    38    33.00000  107.80000
   41    37    38    37.50000  110.70000
   41    37    39    37.50000  110.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    60    58.35000  112.70000
   41    46    40    58.35000  112.70000
   41    46    52    58.35000  112.70000
   41    46    56    58.35000  112.70000
   47    41    42    37.50000  110.70000
   47    60    61    37.50000  110.70000
   47    60    62    37.50000  110.70000
   47    60    65    58.35000  112.70000
   49    47    48    33.00000  107.80000
   60    47    48    37.50000  110.70000
   60    47    49    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    40    58.35000  112.70000
   60    65    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    40    43    58.35000  112.70000
   65    40    46    58.35000  112.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    65    66    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    50    63.00000  111.10000
   40    46    52    58.35000  112.70000
   40    46    56    58.35000  112.70000
   43    50    51    80.00000  120.40000
   43    50    63    70.00000  116.00000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
   50    63    64    35.00000  109.50000
   50    63    67    63.00000  111.10000
   63    33    37    58.35000  112.70000
   63    33    40    58.35000  112.70000
   63    50    51    80.00000  120.40000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   67    63    64    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    47    58.35000  112.70000
   46    40    43    58.35000  112.70000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    37.50000  110.70000
   46    56    57    37.50000  110.70000
   46    56    58    37.50000  110.70000
   46    56    59    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    46    52    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
   71    65    66    37.50000  110.70000
   71    65    40    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   29    33    63    50   0.56750  1.0 1.0
   29    33    63    50  -0.07550 -1.0 2.0
   29    33    63    50   0.20000  1.0 3.0
   29    33    63    64   0.15000  1.0 3.0
   29    33    63    67   0.44750  1.0 1.0
   29    33    63    67  -0.17800 -1.0 2.0
   29    33    63    67   0.20200  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    47   0.56750  1.0 1.0
   33    37    41    47  -0.07550 -1.0 2.0
   33    37    41    47   0.20000  1.0 3.0
   33    37   -41    46   0.56750  1.0 1.0
   33    37   -41    46  -0.07550 -1.0 2.0
   33    37   -41    46   0.20000  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40   -43    50  -0.95700  1.0 1.0
   33    40   -43    50  -0.18200 -1.0 2.0
   33    40   -43    50   0.29450  1.0 3.0
   33    40   -46    41   0.56750  1.0 1.0
   33    40   -46    41  -0.07550 -1.0 2.0
   33    40   -46    41   0.20000  1.0 3.0
   33    40    46    52   0.56750  1.0 1.0
   33    40    46    52  -0.07550 -1.0 2.0
   33    40    46    52   0.20000  1.0 3.0
   33    40    46    56   0.56750  1.0 1.0
   33    40    46    56  -0.07550 -1.0 2.0
   33    40    46    56   0.20000  1.0 3.0
   33    63    67    68   0.15000  1.0 3.0
   33    63    67    69   0.15000  1.0 3.0
   33    63    67    70   0.15000  1.0 3.0
   37    33    40    65   0.56750  1.0 1.0
   37    33    40    65  -0.07550 -1.0 2.0
   37    33    40    65   0.20000  1.0 3.0
   37    33    40    43   0.56750  1.0 1.0
   37    33    40    43  -0.07550 -1.0 2.0
   37    33    40    43   0.20000  1.0 3.0
   37    33   -40    46   0.56750  1.0 1.0
   37    33   -40    46  -0.07550 -1.0 2.0
   37    33   -40    46   0.20000  1.0 3.0
   37    33    63    50  -0.95700  1.0 1.0
   37    33    63    50  -0.18200 -1.0 2.0
   37    33    63    50   0.29450  1.0 3.0
   37    33    63    64   0.15000  1.0 3.0
   37    33    63    67   0.56750  1.0 1.0
   37    33    63    67  -0.07550 -1.0 2.0
   37    33    63    67   0.20000  1.0 3.0
   37    41    47    48   0.15000  1.0 3.0
   37    41    47    49   0.15000  1.0 3.0
   37    41    47    60   0.56750  1.0 1.0
   37    41    47    60  -0.07550 -1.0 2.0
   37    41    47    60   0.20000  1.0 3.0
   37    41   -46    40   0.56750  1.0 1.0
   37    41   -46    40  -0.07550 -1.0 2.0
   37    41   -46    40   0.20000  1.0 3.0
   37    41    46    52   0.56750  1.0 1.0
   37    41    46    52  -0.07550 -1.0 2.0
   37    41    46    52   0.20000  1.0 3.0
   37    41    46    56   0.56750  1.0 1.0
   37    41    46    56  -0.07550 -1.0 2.0
   37    41    46    56   0.20000  1.0 3.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    47   0.15000  1.0 3.0
   38    37    41    46   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    47   0.15000  1.0 3.0
   39    37    41    46   0.15000  1.0 3.0
   41    47    60    61   0.15000  1.0 3.0
   41    47    60    62   0.15000  1.0 3.0
   41    47    60    65   0.56750  1.0 1.0
   41    47    60    65  -0.07550 -1.0 2.0
   41    47    60    65   0.20000  1.0 3.0
   41    46    52    53   0.15000  1.0 3.0
   41    46    52    54   0.15000  1.0 3.0
   41    46    52    55   0.15000  1.0 3.0
   41    46    56    57   0.15000  1.0 3.0
   41    46    56    58   0.15000  1.0 3.0
   41    46    56    59   0.15000  1.0 3.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    60   0.15000  1.0 3.0
   42    41    46    40   0.15000  1.0 3.0
   42    41    46    52   0.15000  1.0 3.0
   42    41    46    56   0.15000  1.0 3.0
   47    41    46    40   0.56750  1.0 1.0
   47    41    46    40  -0.07550 -1.0 2.0
   47    41    46    40   0.20000  1.0 3.0
   47    41    46    52   0.56750  1.0 1.0
   47    41    46    52  -0.07550 -1.0 2.0
   47    41    46    52   0.20000  1.0 3.0
   47    41    46    56   0.56750  1.0 1.0
   47    41    46    56  -0.07550 -1.0 2.0
   47    41    46    56   0.20000  1.0 3.0
   47    60    65    66   0.15000  1.0 3.0
   47    60   -65    40   0.56750  1.0 1.0
   47    60   -65    40  -0.07550 -1.0 2.0
   47    60   -65    40   0.20000  1.0 3.0
   47    60    65    71   0.56750  1.0 1.0
   47    60    65    71  -0.07550 -1.0 2.0
   47    60    65    71   0.20000  1.0 3.0
   48    47    60    61   0.15000  1.0 3.0
   48    47    60    62   0.15000  1.0 3.0
   48    47    60    65   0.15000  1.0 3.0
   49    47    60    61   0.15000  1.0 3.0
   49    47    60    62   0.15000  1.0 3.0
   49    47    60    65   0.15000  1.0 3.0
   60    65    40    33   0.56750  1.0 1.0
   60    65    40    33  -0.07550 -1.0 2.0
   60    65    40    33   0.20000  1.0 3.0
   60    65    40    43   0.56750  1.0 1.0
   60    65    40    43  -0.07550 -1.0 2.0
   60    65    40    43   0.20000  1.0 3.0
   60    65    40    46   0.56750  1.0 1.0
   60    65    40    46  -0.07550 -1.0 2.0
   60    65    40    46   0.20000  1.0 3.0
   60    65    71    72   0.15000  1.0 3.0
   60    65    71    73   0.15000  1.0 3.0
   60    65    71    74   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    40   0.15000  1.0 3.0
   61    60    65    71   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    40   0.15000  1.0 3.0
   62    60    65    71   0.15000  1.0 3.0
   65    40    43    44   0.15000  1.0 3.0
   65    40    43    45   0.15000  1.0 3.0
   65    40    43    50  -0.95700  1.0 1.0
   65    40    43    50  -0.18200 -1.0 2.0
   65    40    43    50   0.29450  1.0 3.0
   65    40   -46    41   0.56750  1.0 1.0
   65    40   -46    41  -0.07550 -1.0 2.0
   65    40   -46    41   0.20000  1.0 3.0
   65    40    46    52   0.56750  1.0 1.0
   65    40    46    52  -0.07550 -1.0 2.0
   65    40    46    52   0.20000  1.0 3.0
   65    40    46    56   0.56750  1.0 1.0
   65    40    46    56  -0.07550 -1.0 2.0
   65    40    46    56   0.20000  1.0 3.0
   66    65    40    33   0.15000  1.0 3.0
   66    65    40    43   0.15000  1.0 3.0
   66    65    40    46   0.15000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    74   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    41   0.56750  1.0 1.0
   40    33   -37    41  -0.07550 -1.0 2.0
   40    33   -37    41   0.20000  1.0 3.0
   40    33   -63    50  -0.95700  1.0 1.0
   40    33   -63    50  -0.18200 -1.0 2.0
   40    33   -63    50   0.29450  1.0 3.0
   40    33    63    64   0.15000  1.0 3.0
   40    33    63    67   0.56750  1.0 1.0
   40    33    63    67  -0.07550 -1.0 2.0
   40    33    63    67   0.20000  1.0 3.0
   40    65    71    72   0.15000  1.0 3.0
   40    65    71    73   0.15000  1.0 3.0
   40    65    71    74   0.15000  1.0 3.0
   40    43    50    51   0.30150 -1.0 2.0
   40    43   -50    63   0.60050  1.0 1.0
   40    43   -50    63   0.05600 -1.0 2.0
   40    43   -50    63   0.26150  1.0 3.0
   40    46    52    53   0.15000  1.0 3.0
   40    46    52    54   0.15000  1.0 3.0
   40    46    52    55   0.15000  1.0 3.0
   40    46    56    57   0.15000  1.0 3.0
   40    46    56    58   0.15000  1.0 3.0
   40    46    56    59   0.15000  1.0 3.0
   43    40    46    41   0.56750  1.0 1.0
   43    40    46    41  -0.07550 -1.0 2.0
   43    40    46    41   0.20000  1.0 3.0
   43    40    46    52   0.56750  1.0 1.0
   43    40    46    52  -0.07550 -1.0 2.0
   43    40    46    52   0.20000  1.0 3.0
   43    40    46    56   0.56750  1.0 1.0
   43    40    46    56  -0.07550 -1.0 2.0
   43    40    46    56   0.20000  1.0 3.0
   43    50   -63    33   0.60050  1.0 1.0
   43    50   -63    33   0.05600 -1.0 2.0
   43    50   -63    33   0.26150  1.0 3.0
   43    50    63    64   0.00000  1.0 1.0
   43    50    63    67   0.60050  1.0 1.0
   43    50    63    67   0.05600 -1.0 2.0
   43    50    63    67   0.26150  1.0 3.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    63   0.00000  1.0 1.0
   45    43    50    51   0.00000  1.0 1.0
   45    43    50    63   0.00000  1.0 1.0
   50    63    67    68  -0.11250  1.0 3.0
   50    63    67    69  -0.11250  1.0 3.0
   50    63    67    70  -0.11250  1.0 3.0
   51    50    63    33   0.30150 -1.0 2.0
   51    50    63    64   0.00000  1.0 1.0
   51    50    63    67   0.30150 -1.0 2.0
   63    33    37    38   0.15000  1.0 3.0
   63    33    37    39   0.15000  1.0 3.0
   63    33    37    41   0.56750  1.0 1.0
   63    33    37    41  -0.07550 -1.0 2.0
   63    33    37    41   0.20000  1.0 3.0
   63    33    40    65   0.56750  1.0 1.0
   63    33    40    65  -0.07550 -1.0 2.0
   63    33    40    65   0.20000  1.0 3.0
   63    33   -40    43   0.56750  1.0 1.0
   63    33   -40    43  -0.07550 -1.0 2.0
   63    33   -40    43   0.20000  1.0 3.0
   63    33    40    46   0.56750  1.0 1.0
   63    33    40    46  -0.07550 -1.0 2.0
   63    33    40    46   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   46    41    47    48   0.15000  1.0 3.0
   46    41    47    49   0.15000  1.0 3.0
   46    41   -47    60   0.56750  1.0 1.0
   46    41   -47    60  -0.07550 -1.0 2.0
   46    41   -47    60   0.20000  1.0 3.0
   46    40    43    44   0.15000  1.0 3.0
   46    40    43    45   0.15000  1.0 3.0
   46    40    43    50  -0.95700  1.0 1.0
   46    40    43    50  -0.18200 -1.0 2.0
   46    40    43    50   0.29450  1.0 3.0
   52    46    56    57   0.15000  1.0 3.0
   52    46    56    58   0.15000  1.0 3.0
   52    46    56    59   0.15000  1.0 3.0
   56    46    52    53   0.15000  1.0 3.0
   56    46    52    54   0.15000  1.0 3.0
   56    46    52    55   0.15000  1.0 3.0
   71    65    40    33   0.56750  1.0 1.0
   71    65    40    33  -0.07550 -1.0 2.0
   71    65    40    33   0.20000  1.0 3.0
   71    65    40    43   0.56750  1.0 1.0
   71    65    40    43  -0.07550 -1.0 2.0
   71    65    40    43   0.20000  1.0 3.0
   71    65    40    46   0.56750  1.0 1.0
   71    65    40    46  -0.07550 -1.0 2.0
   71    65    40    46   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
   35    30    34    36  10.50000 -1.0 2.0
   43    63    50    51  10.50000 -1.0 2.0
END
