* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    147    242     434
    1     0 S   NP   _N1_     1    28.49314    95.46718   -22.52409
    2     1 S   H    _HN1     2     1.02838    33.36451   168.74513
    3     1 S   H    _H1_     3     1.02780    97.88448   -80.55111
    4     1 S   H    _H2_     4     1.02960    80.75665    26.85272
    5     1 S   CT   _CA1     5     1.50111   141.17248   138.01240
    6     5 S   HC   _HA1     6     1.09574   105.23928    76.64134
    7     5 S   CO3  _C1_     7     1.53781   112.41599   -43.59589
    8     7 S   O2Z  _O11     8     1.26357   115.00269   -43.56840
    9     7 S   O2Z  _O12     9     1.26238   114.92108   135.66889
   10     5 S   CT   _CB1    10     1.53100   107.44151  -165.42550
   11    10 S   HC   HB11    11     1.09825   109.33538   -50.82277
   12    10 S   HC   HB12    12     1.09819   110.40940    65.72520
   13    10 S   CT   _CG1    13     1.53014   112.67899  -171.92513
   14    13 S   HC   HG11    14     1.09595   110.46092   -63.89262
   15    13 S   HC   HG12    15     1.09653   109.96832    55.33559
   16    13 S   C    _CD1    16     1.51813   112.32954   175.70673
   17    16 S   O    _OE1    17     1.22717   123.26856    -1.31433
   18    16 S   N    _N2_    18     1.38639   111.64243   178.82630
   19    18 S   H    _HN2    19     1.01588   119.00835     1.36358
   20    18 S   CT1  _CA2    20     1.46152   123.35534   179.64834
   21    20 S   HC   _HA2    21     1.09736   109.44074    -6.74945
   22    20 S   C    _C2_    22     1.53450   108.39779  -122.39603
   23    22 S   O    _O2_    23     1.23035   122.16696  -144.95021
   24    20 S   CT   _CB2    32     1.53425   111.60860   115.38737
   25    24 S   HC   HB21    33     1.09562   109.89983    55.97082
   26    24 S   HC   HB22    34     1.09404   109.59620   175.08921
   27    22 S   N    _N3_    24     1.38478   113.46937    42.34989
   28    27 S   H    _HN3    25     1.01508   118.99051    -0.44543
   29    24 S   S    _SG2    35     1.82415   111.82764   -65.71175
   30    27 S   CT   _CA3    26     1.45442   123.36162   175.07065
   31    30 S   HC   HA31    27     1.09527   109.18340    25.93572
   32    30 S   HC   HA32    28     1.09494   107.15303   142.93772
   33    29 S   CT   _C14    36     1.83716   100.73398   161.51953
   34    33 S   HC   _H7_    37     1.09769   105.18520   -51.64741
   35    30 S   CO3  _C3_    29     1.52920   113.07905   -97.48804
   36    35 S   O2Z  _O31    30     1.26403   115.37876   -45.23284
   37    35 S   O2Z  _O32    31     1.26351   114.99496   135.66843
   38    33 S   CT   _C13    38     1.54217   108.73246  -168.27040
   39    38 S   HC   _H6_    39     1.09489   113.40815   -30.66558
   40    38 S   C3T  _C11    40     1.51072   105.19577  -150.15467
   41    38 S   OH   _O37    74     1.42449   109.83166    90.05054
   42    41 S   HO   _H17    75     0.97276   107.15557   -62.44340
   43    40 S   C3T  _C12    41     1.52235   118.80865   159.49448
   44    43 S   HC   _H14    42     1.07911   121.15709  -150.45418
   45    43 S   HC   _H15    43     1.08407   118.31846    -2.64634
   46    40 S   CT   _C10    45     1.53558   110.79265    -1.40931
   47    40 S   O3T  _O33    44     1.44028   115.75010  -135.17477
   48    46 S   CT   _C9_    46     1.55192   117.93843   143.25506
   49    48 S   HC   _H5_    47     1.09591   107.26751   164.97417
   50    46 S   CT   _C18    70     1.55623   108.08511   -94.46863
   51    50 S   HC   _H18    71     1.09515   111.94499    52.73858
   52    50 S   HC   _H19    72     1.09613   111.08787   -66.80816
   53    50 S   HC   _H20    73     1.09543   111.78184   173.80935
   54    48 S   CT   _C8_    48     1.53937   115.01052   -76.07652
   55    54 S   HC   _H4_    49     1.09498   111.76379   170.14769
   56    48 S   OH   _O38    68     1.42382   111.49072    51.22764
   57    56 S   HO   _H21    69     0.97233   107.93629   175.19168
   58    54 S   CT   _C7_    50     1.52789   112.27341   -62.49407
   59    58 S   HC   _H3_    51     1.10459   106.46442  -179.94065
   60    58 S   CT   _C16    52     1.54410    97.36028    69.95037
   61    60 S   HC   _H8_    53     1.09369   109.32190   163.74859
   62    58 S   CM   _C5_    60     1.51456   119.18494   -63.50798
   63    60 S   CO4  _C17    54     1.51586    96.46311    48.88675
   64    63 S   O    _O34    55     1.21904   126.89976   145.91003
   65    33 S   CT   _C15    57     1.55905   118.57123    71.39206
   66    62 S   CM   _C6_    61     1.34322   123.08746   150.54879
   67    66 S   HC   _H12    62     1.08554   121.40376   176.79106
   68    66 S   HC   _H13    63     1.08369   122.12031    -1.36530
   69    62 S   CT   _C4_    64     1.50682   117.10672   -36.63378
   70    69 S   HC   _H9_    65     1.09513   110.16724   -51.15367
   71    69 S   HC   _H10    66     1.09297   111.30005    69.33338
   72    69 S   HC   _H11    67     1.09558   112.15636  -170.52468
   73    54 S   OS   _O35    56     1.44180   110.55273    50.04477
   74    65 S   OH   _O36    58     1.42890   107.55978   -87.93969
   75    74 S   HO   _H16    59     0.96941   108.63692    65.42662
  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
  18   8   2   1   1  14   7  18   5   1   7   3   2  19   3  17
   8   8   3   2   1  14   7   4   1  16   8  10   6  10   4   2
   3   6   2   1   3   2   1   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    65    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    60    65    74    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    46    48    58    60    61    63    65    74    75    50    41    42  
   38    39    40    46    60    65    74    41  
   36    37  
   37  
    0  
   39    40    43    44    45    47    46    48    60    65    74    50    41    42  
   40    43    47    46    65    41    42  
   43    44    45    47    46    48    49    54    60    65    74    56    50    51    52    53    41    42  
   42    43    46    47    65  
    0  
   44    45    47    46    48    65    50  
   45    47    46  
   47    46  
   48    49    54    55    58    60    61    63    73    65    74    75    56    57    50    51    52    53    47  
   48    65    50  
   49    54    55    58    59    60    63    73    65    74    62    56    57    50    51    52    53  
   54    55    58    73    65    56    57    50  
   51    52    53    54    56    60    65    74  
   52    53    65  
   53    65  
   65  
   55    58    59    60    61    63    64    73    65    62    66    69    56    57  
   58    59    60    63    73    62    56  
   57    58    65    73  
    0  
   59    60    61    63    64    73    65    74    62    66    67    68    69    70    71    72  
   60    61    63    73    65    62    66    69  
   61    63    64    73    65    74    75    62    66    69  
   63    64    73    65    74    62  
   66    67    68    69    70    71    72    63    65    73  
   64    73    65    74  
   73    65  
   74    75    73  
   67    68    69    70    71    72  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
    0  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   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   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    65   268.000  1.529
   38    39   340.000  1.090
   38    40   275.000  1.510
   38    41   320.000  1.410
   40    43   260.000  1.509
   40    47   335.000  1.432
   40    46   275.000  1.510
   43    44   340.000  1.088
   43    45   340.000  1.088
   43    47   335.000  1.432
   46    48   268.000  1.529
   46    65   268.000  1.529
   46    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    56   320.000  1.410
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    73   320.000  1.410
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   317.000  1.510
   60    61   340.000  1.090
   60    63   317.000  1.522
   60    65   268.000  1.529
   63    64   570.000  1.229
   63    73   214.000  1.327
   65    74   320.000  1.410
   74    75   553.000  0.945
   62    66   549.000  1.340
   62    69   317.000  1.510
   66    67   340.000  1.080
   66    68   340.000  1.080
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   56    57   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    65    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.37300
   33    38    41    50.00000  109.50000
   33    65    46    58.35000  112.70000
   33    65    60    58.35000  112.70000
   33    65    74    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    60.00000  120.94000
   38    40    47    80.00000  116.47100
   38    40    46    58.35000  112.70000
   38    41    42    55.00000  108.50000
   40    38    39    45.00000  109.38400
   40    43    44    37.50000  117.20000
   40    43    45    37.50000  117.20000
   40    43    47    15.00000   60.43100
   40    47    43    15.00000   59.14900
   40    46    48    70.00000  112.37300
   40    46    65    70.00000  112.37300
   40    46    50    70.00000  112.37300
   45    43    44    35.00000  114.30000
   47    40    43    15.00000   60.43100
   47    43    44    50.00000  114.27700
   47    43    45    50.00000  114.27700
   46    40    43    60.00000  120.94000
   46    40    47    80.00000  116.47100
   46    48    49    37.50000  110.70000
   46    48    54    58.35000  112.70000
   46    48    56    50.00000  109.50000
   46    65    60    58.35000  112.70000
   46    65    74    50.00000  109.50000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    58    58.35000  112.70000
   48    54    73    50.00000  109.50000
   48    56    57    55.00000  108.50000
   54    48    49    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    58.35000  112.70000
   54    58    62    70.00000  112.02700
   54    73    63    83.00000  116.90000
   58    54    55    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    63    63.00000  111.10000
   58    60    65    58.35000  112.70000
   58    62    66    70.00000  124.00000
   58    62    69    65.00000  117.92700
   60    58    59    37.50000  110.70000
   60    63    64    80.00000  120.40000
   60    63    73    81.00000  111.40000
   60    65    74    50.00000  109.50000
   63    60    61    35.00000  109.50000
   73    54    55    35.00000  109.50000
   73    54    58    50.00000  109.50000
   73    63    64    83.00000  123.40000
   65    33    34    37.50000  110.70000
   65    33    38    58.35000  112.70000
   65    46    48    58.35000  112.70000
   65    60    61    37.50000  110.70000
   65    60    63    63.00000  111.10000
   65    74    75    55.00000  108.50000
   62    58    59    35.00000  109.50000
   62    58    60    70.00000  112.02700
   62    66    67    35.00000  120.00000
   62    66    68    35.00000  120.00000
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    72    35.00000  109.50000
   68    66    67    35.00000  117.00000
   69    62    66    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    48    49    35.00000  109.50000
   56    48    54    50.00000  109.50000
   50    46    48    58.35000  112.70000
   50    46    65    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    65   0.01700  1.0 1.0
   24    29    33    65  -0.23550 -1.0 2.0
   24    29    33    65   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    65    46   0.44750  1.0 1.0
   29    33    65    46  -0.17800 -1.0 2.0
   29    33    65    46   0.20200  1.0 3.0
   29    33    65    60   0.44750  1.0 1.0
   29    33    65    60  -0.17800 -1.0 2.0
   29    33    65    60   0.20200  1.0 3.0
   29    33    65    74   0.56750  1.0 1.0
   29    33    65    74  -0.07550 -1.0 2.0
   29    33    65    74   0.20000  1.0 3.0
   33    38    40    43   0.07850  1.0 1.0
   33    38    40    43  -0.03950 -1.0 2.0
   33    38    40    43   0.67350  1.0 3.0
   33    38    40    47   0.02550  1.0 1.0
   33    38    40    47  -0.02600 -1.0 2.0
   33    38    40    47   1.20400  1.0 3.0
   33    38   -40    46   0.56750  1.0 1.0
   33    38   -40    46  -0.07550 -1.0 2.0
   33    38   -40    46   0.20000  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    65    74    75  -0.11600  1.0 1.0
   33    65    74    75  -0.09450 -1.0 2.0
   33    65    74    75   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    65    46   0.15000  1.0 3.0
   34    33    65    60   0.15000  1.0 3.0
   34    33    65    74   0.23400  1.0 3.0
   38    33   -65    46   0.56750  1.0 1.0
   38    33   -65    46  -0.07550 -1.0 2.0
   38    33   -65    46   0.20000  1.0 3.0
   38    33    65    60   0.56750  1.0 1.0
   38    33    65    60  -0.07550 -1.0 2.0
   38    33    65    60   0.20000  1.0 3.0
   38    33    65    74   0.86500  1.0 1.0
   38    33    65    74  -0.17500 -1.0 2.0
   38    33    65    74   0.20800  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    45   0.15000  1.0 3.0
   38    40   -43    47   0.02550  1.0 1.0
   38    40   -43    47  -0.02600 -1.0 2.0
   38    40   -43    47   1.20400  1.0 3.0
   38    40   -47    43   0.06250  1.0 1.0
   38    40   -47    43  -0.01100 -1.0 2.0
   38    40   -47    43   0.28050  1.0 3.0
   38    40    46    48   0.56750  1.0 1.0
   38    40    46    48  -0.07550 -1.0 2.0
   38    40    46    48   0.20000  1.0 3.0
   38    40   -46    65   0.56750  1.0 1.0
   38    40   -46    65  -0.07550 -1.0 2.0
   38    40   -46    65   0.20000  1.0 3.0
   38    40    46    50   0.56750  1.0 1.0
   38    40    46    50  -0.07550 -1.0 2.0
   38    40    46    50   0.20000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    47   0.23400  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.11600  1.0 1.0
   40    38    41    42  -0.09450 -1.0 2.0
   40    38    41    42   0.21250  1.0 3.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    54   0.47050  1.0 1.0
   40    46    48    54   0.03900 -1.0 2.0
   40    46    48    54   0.20100  1.0 3.0
   40    46    48    56   0.86500  1.0 1.0
   40    46    48    56  -0.17500 -1.0 2.0
   40    46    48    56   0.20800  1.0 3.0
   40    46   -65    33   0.47050  1.0 1.0
   40    46   -65    33   0.03900 -1.0 2.0
   40    46   -65    33   0.20100  1.0 3.0
   40    46    65    60   0.47050  1.0 1.0
   40    46    65    60   0.03900 -1.0 2.0
   40    46    65    60   0.20100  1.0 3.0
   40    46    65    74   0.86500  1.0 1.0
   40    46    65    74  -0.17500 -1.0 2.0
   40    46    65    74   0.20800  1.0 3.0
   40    46    50    51   0.15000  1.0 3.0
   40    46    50    52   0.15000  1.0 3.0
   40    46    50    53   0.15000  1.0 3.0
   43    40    46    48   0.07850  1.0 1.0
   43    40    46    48  -0.03950 -1.0 2.0
   43    40    46    48   0.67350  1.0 3.0
   43    40    46    65   0.07850  1.0 1.0
   43    40    46    65  -0.03950 -1.0 2.0
   43    40    46    65   0.67350  1.0 3.0
   43    40    46    50   0.07850  1.0 1.0
   43    40    46    50  -0.03950 -1.0 2.0
   43    40    46    50   0.67350  1.0 3.0
   44    43   -47    40   0.36800  1.0 3.0
   45    43   -47    40   0.36800  1.0 3.0
   47    40   -43    44   0.23400  1.0 3.0
   47    40   -43    45   0.23400  1.0 3.0
   47    40    46    48   0.02550  1.0 1.0
   47    40    46    48  -0.02600 -1.0 2.0
   47    40    46    48   1.20400  1.0 3.0
   47    40    46    65   0.02550  1.0 1.0
   47    40    46    65  -0.02600 -1.0 2.0
   47    40    46    65   1.20400  1.0 3.0
   47    40    46    50   0.02550  1.0 1.0
   47    40    46    50  -0.02600 -1.0 2.0
   47    40    46    50   1.20400  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    47   0.02550  1.0 1.0
   46    40   -43    47  -0.02600 -1.0 2.0
   46    40   -43    47   1.20400  1.0 3.0
   46    40   -47    43   0.06250  1.0 1.0
   46    40   -47    43  -0.01100 -1.0 2.0
   46    40   -47    43   0.28050  1.0 3.0
   46    48    54    55   0.15000  1.0 3.0
   46    48    54    58   0.56750  1.0 1.0
   46    48    54    58  -0.07550 -1.0 2.0
   46    48    54    58   0.20000  1.0 3.0
   46    48    54    73   0.62750  1.0 1.0
   46    48    54    73  -0.30950 -1.0 2.0
   46    48    54    73   0.27300  1.0 3.0
   46    48    56    57  -0.11600  1.0 1.0
   46    48    56    57  -0.09450 -1.0 2.0
   46    48    56    57   0.21250  1.0 3.0
   46    65    74    75  -0.11600  1.0 1.0
   46    65    74    75  -0.09450 -1.0 2.0
   46    65    74    75   0.21250  1.0 3.0
   48    46    65    33   0.56750  1.0 1.0
   48    46    65    33  -0.07550 -1.0 2.0
   48    46    65    33   0.20000  1.0 3.0
   48    46    65    60   0.56750  1.0 1.0
   48    46    65    60  -0.07550 -1.0 2.0
   48    46    65    60   0.20000  1.0 3.0
   48    46    65    74   0.86500  1.0 1.0
   48    46    65    74  -0.17500 -1.0 2.0
   48    46    65    74   0.20800  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    53   0.15000  1.0 3.0
   48    54    58    59   0.15000  1.0 3.0
   48    54   -58    60   0.56750  1.0 1.0
   48    54   -58    60  -0.07550 -1.0 2.0
   48    54   -58    60   0.20000  1.0 3.0
   48    54    58    62   0.34400  1.0 1.0
   48    54    58    62   0.09450 -1.0 2.0
   48    54    58    62   0.11100  1.0 3.0
   48    54    73    63  -0.25900  1.0 1.0
   48    54    73    63  -0.47000 -1.0 2.0
   48    54    73    63   0.11750  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    58   0.15000  1.0 3.0
   49    48    54    73   0.23400  1.0 3.0
   49    48    56    57   0.19450  1.0 3.0
   54    48    56    57  -0.11600  1.0 1.0
   54    48    56    57  -0.09450 -1.0 2.0
   54    48    56    57   0.21250  1.0 3.0
   54    58    60    61   0.15000  1.0 3.0
   54    58   -60    63  -0.95700  1.0 1.0
   54    58   -60    63  -0.18200 -1.0 2.0
   54    58   -60    63   0.29450  1.0 3.0
   54    58    60    65   0.56750  1.0 1.0
   54    58    60    65  -0.07550 -1.0 2.0
   54    58    60    65   0.20000  1.0 3.0
   54    58    62    66   0.09850  1.0 1.0
   54    58    62    66   0.15250 -1.0 2.0
   54    58    62    66  -0.50650  1.0 3.0
   54    58    62    69   0.46850  1.0 1.0
   54    58    62    69   0.08550 -1.0 2.0
   54    58    62    69   0.09800  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    62   0.15000  1.0 3.0
   55    54    73    63   0.08050  1.0 3.0
   58    54   -73    63  -0.25900  1.0 1.0
   58    54   -73    63  -0.47000 -1.0 2.0
   58    54   -73    63   0.11750  1.0 3.0
   58    60    63    64   0.30150 -1.0 2.0
   58    60   -63    73   0.36750  1.0 3.0
   58    60    65    33   0.56750  1.0 1.0
   58    60    65    33  -0.07550 -1.0 2.0
   58    60    65    33   0.20000  1.0 3.0
   58    60   -65    46   0.56750  1.0 1.0
   58    60   -65    46  -0.07550 -1.0 2.0
   58    60   -65    46   0.20000  1.0 3.0
   58    60    65    74   0.86500  1.0 1.0
   58    60    65    74  -0.17500 -1.0 2.0
   58    60    65    74   0.20800  1.0 3.0
   58    62    66    67   7.00000 -1.0 2.0
   58    62    66    68   7.00000 -1.0 2.0
   58    62    69    70   0.34800  1.0 3.0
   58    62    69    71   0.34800  1.0 3.0
   58    62    69    72   0.34800  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    63  -0.11250  1.0 3.0
   59    58    60    65   0.15000  1.0 3.0
   59    58    62    66   0.00000  1.0 1.0
   59    58    62    69   0.34800  1.0 3.0
   60    58    62    66   0.09850  1.0 1.0
   60    58    62    66   0.15250 -1.0 2.0
   60    58    62    66  -0.50650  1.0 3.0
   60    58    62    69   0.46850  1.0 1.0
   60    58    62    69   0.08550 -1.0 2.0
   60    58    62    69   0.09800  1.0 3.0
   60    63   -73    54   1.63150  1.0 1.0
   60    63   -73    54   2.92000 -1.0 2.0
   60    65    74    75  -0.11600  1.0 1.0
   60    65    74    75  -0.09450 -1.0 2.0
   60    65    74    75   0.21250  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    73   0.00000  1.0 1.0
   61    60    65    33   0.15000  1.0 3.0
   61    60    65    46   0.15000  1.0 3.0
   61    60    65    74   0.23400  1.0 3.0
   63    60    65    33  -0.95700  1.0 1.0
   63    60    65    33  -0.18200 -1.0 2.0
   63    60    65    33   0.29450  1.0 3.0
   63    60    65    46  -0.95700  1.0 1.0
   63    60    65    46  -0.18200 -1.0 2.0
   63    60    65    46   0.29450  1.0 3.0
   63    60    65    74  -0.09450  1.0 1.0
   63    60    65    74  -1.12950 -1.0 2.0
   63    60    65    74   0.54000  1.0 3.0
   64    63    73    54   3.00000 -1.0 2.0
   73    54    58    59   0.23400  1.0 3.0
   73    54   -58    60   0.62750  1.0 1.0
   73    54   -58    60  -0.30950 -1.0 2.0
   73    54   -58    60   0.27300  1.0 3.0
   73    54    58    62   0.61850  1.0 1.0
   73    54    58    62  -0.22750 -1.0 2.0
   73    54    58    62   0.15300  1.0 3.0
   65    33    38    39   0.15000  1.0 3.0
   65    33   -38    40   0.47050  1.0 1.0
   65    33   -38    40   0.03900 -1.0 2.0
   65    33   -38    40   0.20100  1.0 3.0
   65    33    38    41   0.86500  1.0 1.0
   65    33    38    41  -0.17500 -1.0 2.0
   65    33    38    41   0.20800  1.0 3.0
   65    46    48    49   0.15000  1.0 3.0
   65    46   -48    54   0.56750  1.0 1.0
   65    46   -48    54  -0.07550 -1.0 2.0
   65    46   -48    54   0.20000  1.0 3.0
   65    46    48    56   0.86500  1.0 1.0
   65    46    48    56  -0.17500 -1.0 2.0
   65    46    48    56   0.20800  1.0 3.0
   65    46    50    51   0.15000  1.0 3.0
   65    46    50    52   0.15000  1.0 3.0
   65    46    50    53   0.15000  1.0 3.0
   65    60    63    64   0.30150 -1.0 2.0
   65    60    63    73   0.36750  1.0 3.0
   62    58    60    61   0.15000  1.0 3.0
   62    58    60    63  -0.98800  1.0 1.0
   62    58    60    63   0.48800 -1.0 2.0
   62    58    60    63   0.76800  1.0 3.0
   62    58    60    65   0.34400  1.0 1.0
   62    58    60    65   0.09450 -1.0 2.0
   62    58    60    65   0.11100  1.0 3.0
   66    62    69    70   0.00000  1.0 1.0
   66    62    69    71   0.00000  1.0 1.0
   66    62    69    72   0.00000  1.0 1.0
   69    62    66    67   7.00000 -1.0 2.0
   69    62    66    68   7.00000 -1.0 2.0
   56    48    54    55   0.23400  1.0 3.0
   56    48    54    58   0.86500  1.0 1.0
   56    48    54    58  -0.17500 -1.0 2.0
   56    48    54    58   0.20800  1.0 3.0
   56    48    54    73   3.69350  1.0 1.0
   56    48    54    73  -1.82950 -1.0 2.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    54   0.56750  1.0 1.0
   50    46    48    54  -0.07550 -1.0 2.0
   50    46    48    54   0.20000  1.0 3.0
   50    46    48    56   0.86500  1.0 1.0
   50    46    48    56  -0.17500 -1.0 2.0
   50    46    48    56   0.20800  1.0 3.0
   50    46    65    33   0.56750  1.0 1.0
   50    46    65    33  -0.07550 -1.0 2.0
   50    46    65    33   0.20000  1.0 3.0
   50    46    65    60   0.56750  1.0 1.0
   50    46    65    60  -0.07550 -1.0 2.0
   50    46    65    60   0.20000  1.0 3.0
   50    46    65    74   0.86500  1.0 1.0
   50    46    65    74  -0.17500 -1.0 2.0
   50    46    65    74   0.20800  1.0 3.0
   41    38    40    43   0.86500  1.0 1.0
   41    38    40    43  -0.17500 -1.0 2.0
   41    38    40    43   0.20800  1.0 3.0
   41    38    40    47   3.69350  1.0 1.0
   41    38    40    47  -1.82950 -1.0 2.0
   41    38    40    46   0.86500  1.0 1.0
   41    38    40    46  -0.17500 -1.0 2.0
   41    38    40    46   0.20800  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
   60    73    63    64  10.50000 -1.0 2.0
   58    69    62    66  15.00000 -1.0 2.0
   67    68    66    62  15.00000 -1.0 2.0
END
