* LIGAND DATABASE FILE (OPLS2005)
*
001      72    76    146    232     413
    1     0 S   NP   _N1_     1    28.02391    97.10619   -22.85498
    2     1 S   H    _HN1     2     1.02776   103.85228  -111.60851
    3     1 S   H    _H1_     3     1.02957    74.22825    -6.11395
    4     1 S   H    _H2_     4     1.02835    36.59526   146.92669
    5     1 S   CT   _CA1     5     1.50133   138.99339    96.99289
    6     5 S   HC   _HA1     6     1.09574   105.21202    88.37642
    7     5 S   CO3  _C1_     7     1.53788   112.36742   -31.81785
    8     7 S   O2Z  _O11     8     1.26368   114.99159   -43.50727
    9     7 S   O2Z  _O12     9     1.26234   114.93461   135.57701
   10     5 S   CT   _CB1    10     1.53094   107.42051  -153.69741
   11    10 S   HC   HB11    11     1.09827   109.34442   -50.29806
   12    10 S   HC   HB12    12     1.09816   110.42088    66.26381
   13    10 S   CT   _CG1    13     1.53017   112.67082  -171.35805
   14    13 S   HC   HG11    14     1.09593   110.50266   -64.41272
   15    13 S   HC   HG12    15     1.09657   109.91086    54.79329
   16    13 S   C    _CD1    16     1.51839   112.30836   175.17606
   17    16 S   O    _OE1    17     1.22751   123.29908     0.89962
   18    16 S   N    _N2_    18     1.38570   111.71752  -179.14774
   19    18 S   H    _HN2    19     1.01561   119.00453     4.52429
   20    18 S   CT1  _CA2    20     1.45815   122.85458   178.01949
   21    20 S   HC   _HA2    21     1.09729   108.92041    24.02725
   22    20 S   C    _C2_    22     1.52904   107.05308   -93.05898
   23    22 S   O    _O2_    23     1.22970   123.04013   -27.16200
   24    20 S   CT   _CB2    32     1.53167   112.22955   147.16016
   25    24 S   HC   HB21    33     1.09608   110.24760    54.26117
   26    24 S   HC   HB22    34     1.09447   110.12664   173.13770
   27    22 S   N    _N3_    24     1.38485   112.53454   155.66613
   28    27 S   H    _HN3    25     1.01656   120.36701    -2.27761
   29    24 S   S    _SG2    35     1.82537   111.15370   -66.35899
   30    27 S   CT   _CA3    26     1.45357   122.51361   178.54196
   31    30 S   HC   HA31    27     1.09567   107.82878   -55.78316
   32    30 S   HC   HA32    28     1.09565   107.60259    60.56881
   33    29 S   CT   _C9_    36     1.83756    99.17579   175.94711
   34    33 S   HC   _H3_    37     1.08479   106.70958   -48.62547
   35    30 S   CO3  _C3_    29     1.52899   114.27850  -177.64565
   36    35 S   O2Z  _O31    30     1.26342   116.03546     1.34625
   37    35 S   O2Z  _O32    31     1.26430   114.42188  -178.70291
   38    33 S   CM   _C4_    38     1.49377   109.25946  -172.40746
   39    38 S   CMA  _C5_    39     1.35425   109.72895   -95.39961
   40    39 S   OM   _O16    40     1.26267   128.04026   178.77747
   41    38 S   C3T  _C8_    61     1.47420   121.05797    88.02810
   42    41 S   HC   _H25    62     1.08599   113.53814  -150.98623
   43    39 S   OS   _O18    41     1.43779   109.27223    -2.44505
   44    70 S   O3T  _O20    63     1.43691   114.01942   149.68021
   45    33 S   CT   _C14    42     1.52583   113.24596    77.59969
   46    45 S   HC   _H31    43     1.09557   111.80855   -35.35788
   47    45 S   CT   _C11    44     1.56555   117.28609  -162.86294
   48    47 S   HC   _H28    45     1.09025   106.84809   -77.44175
   49    47 S   CT   _C10    46     1.53265   111.29367   165.67866
   50    49 S   HC   _H27    47     1.09518   111.72206     3.20491
   51    49 S   CO4  _C6_    48     1.50042   104.11307  -113.76237
   52    51 S   O    _O17    49     1.22230   125.12030   172.45699
   53    49 S   CT   _C17    69     1.52364   112.73283   127.48416
   54    53 S   HC   _H33    70     1.09556   111.65237    58.34623
   55    53 S   HC   _H34    71     1.09485   110.75437   -62.41171
   56    53 S   HC   _H35    72     1.09544   110.72356   177.82795
   57    51 S   OS   _O19    50     1.35837   110.87674    -9.11844
   58    47 S   CT   _C12    51     1.52801   116.06409    45.80238
   59    58 S   HC   _H29    52     1.09080   112.61035    -3.90726
   60    58 S   CT   _C7_    53     1.54604   114.17513  -129.12683
   61    60 S   HC   _H23    54     1.09822   108.34503  -179.14820
   62    60 S   HC   _H24    55     1.09745   109.43642   -65.66008
   63    60 S   C3T  _C16    56     1.51280   113.98248    58.15188
   64    63 S   C3T  _C15    57     1.52481   117.59539    55.28300
   65    64 S   HC   _H32    58     1.08597   118.14761     4.08797
   66    63 S   CT   _C18    65     1.50370   117.50844  -105.72028
   67    66 S   HC   _H36    66     1.09563   111.83455  -166.03751
   68    66 S   HC   _H37    67     1.09128   111.93414    73.59542
   69    66 S   HC   _H38    68     1.09507   110.34918   -46.87247
   70    64 S   C3T  _C13    59     1.52040   121.73992  -147.85747
   71    70 S   HC   _H30    60     1.08623   115.74832   -71.30955
   72    63 S   O3T  _O21    64     1.43923   116.03199   120.68976
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  12   9   3  10   4   6   6  11   4  16   8
  11   8   9   3   5   2   1   1   6   8   4  11   5   4   9   8
   4   5   3   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    45    46    47    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    45    46    47    48    49    58    70    41    42    44  
   38    39    43    45    46    47    41  
   36    37  
   37  
    0  
   39    40    43    45    46    47    64    70    71    41    42    44  
   40    43    45    46    47    70    41    42    44  
   43    45    41  
   42    44    72    43    45    63    64    65    70    71  
   44    64    70    71  
   45    46    47    48    49    58  
   72    63    64    65    70    71  
   46    47    48    49    50    51    57    58    59    60    53  
   47    48    49    58  
   48    49    50    51    52    57    58    59    60    61    62    63    53    54    55    56  
   49    50    51    57    58    59    60    53  
   50    51    52    57    58    59    60    53    54    55    56  
   51    52    57    58    53    54    55    56  
   52    57    58    59    60    53    54    55    56  
   57    58    53  
   54    55    56    57    58  
   55    56  
   56  
    0  
   58    59    60    61    62    63  
   59    60    61    62    63    64    72    66  
   60    61    62    63  
   61    62    63    64    65    70    72    66    67    68    69  
   62    63    64    72    66  
   63    64    72    66  
   64    65    70    71    72    66    67    68    69  
   65    70    71    72    66    67    68    69  
   70    71    72    66  
   67    68    69    70    72  
   68    69    72  
   69    72  
   72  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   44   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.352400   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   317.000  1.510
   33    45   268.000  1.529
   38    39   465.000  1.376
   38    41   305.000  1.480
   39    40   745.000  1.250
   39    43   440.000  1.360
   43    45   320.000  1.410
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    58   268.000  1.529
   49    50   340.000  1.090
   49    51   317.000  1.522
   49    53   268.000  1.529
   51    52   570.000  1.229
   51    57   214.000  1.327
   57    58   320.000  1.410
   58    59   340.000  1.090
   58    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   275.000  1.510
   63    64   260.000  1.509
   63    72   335.000  1.432
   63    66   275.000  1.510
   64    65   340.000  1.088
   64    70   260.000  1.509
   64    72   335.000  1.432
   70    71   340.000  1.088
   70    41   260.000  1.509
   70    44   335.000  1.432
   41    42   340.000  1.088
   41    44   335.000  1.432
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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  112.20000
   29    33    45    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    45    43    50.00000  109.50000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    80.00000  120.01400
   38    41    70    60.00000  120.58800
   38    41    42    40.00000  112.45000
   38    41    44    85.00000  114.23300
   39    43    45    90.00000  111.18400
   43    39    40    65.00000  121.00000
   43    45    46    35.00000  109.50000
   43    45    47    50.00000  109.50000
   45    33    34    37.50000  110.70000
   45    33    38    70.00000  112.02700
   45    47    48    37.50000  110.70000
   45    47    49    58.35000  112.70000
   45    47    58    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    63.00000  111.10000
   47    49    53    58.35000  112.70000
   47    58    57    50.00000  109.50000
   47    58    59    37.50000  110.70000
   47    58    60    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    51    52    80.00000  120.40000
   49    51    57    81.00000  111.40000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    56    37.50000  110.70000
   51    49    50    35.00000  109.50000
   51    57    58    83.00000  116.90000
   57    51    52    83.00000  123.40000
   57    58    59    35.00000  109.50000
   57    58    60    50.00000  109.50000
   58    47    48    37.50000  110.70000
   58    47    49    58.35000  112.70000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    63    70.00000  112.37300
   60    58    59    37.50000  110.70000
   60    63    64    60.00000  120.94000
   60    63    72    80.00000  116.47100
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    45.00000  109.38400
   63    60    62    45.00000  109.38400
   63    64    65    37.50000  117.20000
   63    64    70    60.00000  120.94000
   63    64    72    15.00000   60.43100
   63    72    64    15.00000   59.14900
   63    66    67    45.00000  109.38400
   63    66    68    45.00000  109.38400
   63    66    69    45.00000  109.38400
   64    70    71    37.50000  117.20000
   64    70    41    60.00000  120.94000
   64    70    44    80.00000  116.47100
   70    64    65    37.50000  117.20000
   70    41    42    37.50000  117.20000
   70    41    44    15.00000   60.43100
   70    44    41    15.00000   59.14900
   41    38    39    55.00000  125.06700
   41    70    71    37.50000  117.20000
   44    70    71    50.00000  114.27700
   44    70    41    15.00000   60.43100
   44    41    42    50.00000  114.27700
   72    63    64    15.00000   60.43100
   72    64    65    50.00000  114.27700
   72    64    70    80.00000  116.47100
   66    63    64    60.00000  120.94000
   66    63    72    80.00000  116.47100
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    63.00000  111.10000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    45    43   0.56750  1.0 1.0
   29    33    45    43  -0.07550 -1.0 2.0
   29    33    45    43   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.44750  1.0 1.0
   29    33    45    47  -0.17800 -1.0 2.0
   29    33    45    47   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    43   7.00000 -1.0 2.0
   33    38    41    70   0.46850  1.0 1.0
   33    38    41    70   0.08550 -1.0 2.0
   33    38    41    70   0.09800  1.0 3.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    44   0.09700  1.0 1.0
   33    38    41    44   0.15600 -1.0 2.0
   33    38    41    44  -0.50800  1.0 3.0
   33    45    47    48   0.15000  1.0 3.0
   33    45    47    49   0.56750  1.0 1.0
   33    45    47    49  -0.07550 -1.0 2.0
   33    45    47    49   0.20000  1.0 3.0
   33    45    47    58   0.56750  1.0 1.0
   33    45    47    58  -0.07550 -1.0 2.0
   33    45    47    58   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    45    43   0.23400  1.0 3.0
   34    33    45    46   0.15000  1.0 3.0
   34    33    45    47   0.15000  1.0 3.0
   38    33   -45    43   0.61850  1.0 1.0
   38    33   -45    43  -0.22750 -1.0 2.0
   38    33   -45    43   0.15300  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    33    45    47   0.34400  1.0 1.0
   38    33    45    47   0.09450 -1.0 2.0
   38    33    45    47   0.11100  1.0 3.0
   38    39   -43    45  -2.26850  1.0 1.0
   38    39   -43    45   3.39050 -1.0 2.0
   38    41   -44    70  -0.77900  1.0 1.0
   38    41   -44    70  -0.36900 -1.0 2.0
   38    41   -44    70   0.40400  1.0 3.0
   39    38    41    70   0.09850  1.0 1.0
   39    38    41    70   0.15250 -1.0 2.0
   39    38    41    70  -0.50650  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    44   0.39000  1.0 1.0
   39    38    41    44  -0.05800 -1.0 2.0
   39    38    41    44  -0.55150  1.0 3.0
   39    43   -45    33  -0.46850  1.0 1.0
   39    43   -45    33   0.09300 -1.0 2.0
   39    43   -45    33  -0.12850  1.0 3.0
   39    43    45    46   0.08050  1.0 3.0
   39    43    45    47  -0.46850  1.0 1.0
   39    43    45    47   0.09300 -1.0 2.0
   39    43    45    47  -0.12850  1.0 3.0
   40    39    43    45   2.00000 -1.0 2.0
   43    45    47    48   0.23400  1.0 3.0
   43    45    47    49   0.62750  1.0 1.0
   43    45    47    49  -0.30950 -1.0 2.0
   43    45    47    49   0.27300  1.0 3.0
   43    45    47    58   0.62750  1.0 1.0
   43    45    47    58  -0.30950 -1.0 2.0
   43    45    47    58   0.27300  1.0 3.0
   45    33   -38    39   0.09850  1.0 1.0
   45    33   -38    39   0.15250 -1.0 2.0
   45    33   -38    39  -0.50650  1.0 3.0
   45    33    38    41   0.46850  1.0 1.0
   45    33    38    41   0.08550 -1.0 2.0
   45    33    38    41   0.09800  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    51  -0.95700  1.0 1.0
   45    47    49    51  -0.18200 -1.0 2.0
   45    47    49    51   0.29450  1.0 3.0
   45    47    49    53   0.56750  1.0 1.0
   45    47    49    53  -0.07550 -1.0 2.0
   45    47    49    53   0.20000  1.0 3.0
   45    47    58    57   0.62750  1.0 1.0
   45    47    58    57  -0.30950 -1.0 2.0
   45    47    58    57   0.27300  1.0 3.0
   45    47    58    59   0.15000  1.0 3.0
   45    47    58    60   0.56750  1.0 1.0
   45    47    58    60  -0.07550 -1.0 2.0
   45    47    58    60   0.20000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    58   0.15000  1.0 3.0
   47    49    51    52   0.30150 -1.0 2.0
   47    49   -51    57   0.36750  1.0 3.0
   47    49    53    54   0.15000  1.0 3.0
   47    49    53    55   0.15000  1.0 3.0
   47    49    53    56   0.15000  1.0 3.0
   47    58    60    61   0.15000  1.0 3.0
   47    58    60    62   0.15000  1.0 3.0
   47    58    60    63   0.47050  1.0 1.0
   47    58    60    63   0.03900 -1.0 2.0
   47    58    60    63   0.20100  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51  -0.11250  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    58    57   0.23400  1.0 3.0
   48    47    58    59   0.15000  1.0 3.0
   48    47    58    60   0.15000  1.0 3.0
   49    47   -58    57   0.62750  1.0 1.0
   49    47   -58    57  -0.30950 -1.0 2.0
   49    47   -58    57   0.27300  1.0 3.0
   49    47    58    59   0.15000  1.0 3.0
   49    47    58    60   0.56750  1.0 1.0
   49    47    58    60  -0.07550 -1.0 2.0
   49    47    58    60   0.20000  1.0 3.0
   49    51   -57    58   1.63150  1.0 1.0
   49    51   -57    58   2.92000 -1.0 2.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    57   0.00000  1.0 1.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    56   0.15000  1.0 3.0
   51    49    53    54  -0.11250  1.0 3.0
   51    49    53    55  -0.11250  1.0 3.0
   51    49    53    56  -0.11250  1.0 3.0
   51    57   -58    47  -0.25900  1.0 1.0
   51    57   -58    47  -0.47000 -1.0 2.0
   51    57   -58    47   0.11750  1.0 3.0
   51    57    58    59   0.08050  1.0 3.0
   51    57    58    60  -0.25900  1.0 1.0
   51    57    58    60  -0.47000 -1.0 2.0
   51    57    58    60   0.11750  1.0 3.0
   52    51    57    58   3.00000 -1.0 2.0
   57    58    60    61   0.23400  1.0 3.0
   57    58    60    62   0.23400  1.0 3.0
   57    58    60    63  -0.26800  1.0 1.0
   57    58    60    63   0.69150 -1.0 2.0
   57    58    60    63  -0.48750  1.0 3.0
   58    47    49    50   0.15000  1.0 3.0
   58    47   -49    51  -0.95700  1.0 1.0
   58    47   -49    51  -0.18200 -1.0 2.0
   58    47   -49    51   0.29450  1.0 3.0
   58    47    49    53   0.56750  1.0 1.0
   58    47    49    53  -0.07550 -1.0 2.0
   58    47    49    53   0.20000  1.0 3.0
   58    60    63    64   0.07850  1.0 1.0
   58    60    63    64  -0.03950 -1.0 2.0
   58    60    63    64   0.67350  1.0 3.0
   58    60    63    72   0.02550  1.0 1.0
   58    60    63    72  -0.02600 -1.0 2.0
   58    60    63    72   1.20400  1.0 3.0
   58    60    63    66   0.56750  1.0 1.0
   58    60    63    66  -0.07550 -1.0 2.0
   58    60    63    66   0.20000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   60    63    64    65   0.15000  1.0 3.0
   60    63    64    70   0.07850  1.0 1.0
   60    63    64    70  -0.03950 -1.0 2.0
   60    63    64    70   0.67350  1.0 3.0
   60    63   -64    72   0.02550  1.0 1.0
   60    63   -64    72  -0.02600 -1.0 2.0
   60    63   -64    72   1.20400  1.0 3.0
   60    63   -72    64   0.06250  1.0 1.0
   60    63   -72    64  -0.01100 -1.0 2.0
   60    63   -72    64   0.28050  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63    66    69   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    72   0.23400  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    72   0.23400  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    64    70    71   0.15000  1.0 3.0
   63    64    70    41   0.07850  1.0 1.0
   63    64    70    41  -0.03950 -1.0 2.0
   63    64    70    41   0.67350  1.0 3.0
   63    64    70    44   0.02550  1.0 1.0
   63    64    70    44  -0.02600 -1.0 2.0
   63    64    70    44   1.20400  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    70    41    38   0.34400  1.0 1.0
   64    70    41    38   0.09450 -1.0 2.0
   64    70    41    38   0.11100  1.0 3.0
   64    70    41    42   0.15000  1.0 3.0
   64    70   -41    44   0.02550  1.0 1.0
   64    70   -41    44  -0.02600 -1.0 2.0
   64    70   -41    44   1.20400  1.0 3.0
   64    70   -44    41   0.06250  1.0 1.0
   64    70   -44    41  -0.01100 -1.0 2.0
   64    70   -44    41   0.28050  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    41   0.15000  1.0 3.0
   65    64    70    44   0.23400  1.0 3.0
   65    64   -72    63   0.36800  1.0 3.0
   70    64   -72    63   0.06250  1.0 1.0
   70    64   -72    63  -0.01100 -1.0 2.0
   70    64   -72    63   0.28050  1.0 3.0
   71    70    41    38   0.15000  1.0 3.0
   71    70    41    42   0.15000  1.0 3.0
   71    70   -41    44   0.23400  1.0 3.0
   71    70   -44    41   0.36800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   42    41   -44    70   0.36800  1.0 3.0
   44    70   -41    38   0.61850  1.0 1.0
   44    70   -41    38  -0.22750 -1.0 2.0
   44    70   -41    38   0.15300  1.0 3.0
   44    70   -41    42   0.23400  1.0 3.0
   72    63   -64    65   0.23400  1.0 3.0
   72    63   -64    70   0.02550  1.0 1.0
   72    63   -64    70  -0.02600 -1.0 2.0
   72    63   -64    70   1.20400  1.0 3.0
   72    63    66    67   0.23400  1.0 3.0
   72    63    66    68   0.23400  1.0 3.0
   72    63    66    69   0.23400  1.0 3.0
   72    64    70    71   0.23400  1.0 3.0
   72    64    70    41   0.02550  1.0 1.0
   72    64    70    41  -0.02600 -1.0 2.0
   72    64    70    41   1.20400  1.0 3.0
   72    64    70    44   1.11900  1.0 1.0
   72    64    70    44  -1.16350 -1.0 2.0
   72    64    70    44  -0.34150  1.0 3.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    70   0.07850  1.0 1.0
   66    63    64    70  -0.03950 -1.0 2.0
   66    63    64    70   0.67350  1.0 3.0
   66    63   -64    72   0.02550  1.0 1.0
   66    63   -64    72  -0.02600 -1.0 2.0
   66    63   -64    72   1.20400  1.0 3.0
   66    63   -72    64   0.06250  1.0 1.0
   66    63   -72    64  -0.01100 -1.0 2.0
   66    63   -72    64   0.28050  1.0 3.0
   53    49    51    52   0.30150 -1.0 2.0
   53    49    51    57   0.36750  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   40    43    39    38   1.10000 -1.0 2.0
   49    57    51    52  10.50000 -1.0 2.0
END
