* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    131    197     374
    1     0 S   NP   _N1_     1    28.65678    97.95315   -18.57005
    2     1 S   H    _HN1     2     1.02776    86.92716  -125.82055
    3     1 S   H    _H1_     3     1.02957    66.95457   -14.37569
    4     1 S   H    _H2_     4     1.02834    54.49417   119.57215
    5     1 S   CT   _CA1     5     1.50116   159.74702    72.24355
    6     5 S   HC   _HA1     6     1.09562   105.25284    98.98503
    7     5 S   CO3  _C1_     7     1.53864   112.45099   -21.33940
    8     7 S   O2Z  _O11     8     1.26378   115.01397   -40.26463
    9     7 S   O2Z  _O12     9     1.26237   115.05475   139.09902
   10     5 S   CT   _CB1    10     1.53137   107.44271  -142.86204
   11    10 S   HC   HB11    11     1.09818   109.64246   -48.39655
   12    10 S   HC   HB12    12     1.09819   110.27960    68.29627
   13    10 S   CT   _CG1    13     1.52954   112.53159  -169.39153
   14    13 S   HC   HG11    14     1.09430   110.32314   -60.76627
   15    13 S   HC   HG12    15     1.09640   109.99476    58.33886
   16    13 S   C    _CD1    16     1.51756   112.52060   179.06205
   17    16 S   O    _OE1    17     1.22734   123.30824    -1.72056
   18    16 S   N    _N2_    18     1.38514   111.61393   178.06558
   19    18 S   H    _HN2    19     1.01689   119.06071     5.33443
   20    18 S   CT1  _CA2    20     1.45710   123.07088   179.41116
   21    20 S   HC   _HA2    21     1.09727   108.87450    22.83183
   22    20 S   C    _C2_    22     1.52919   107.04783   -94.15953
   23    22 S   O    _O2_    23     1.22977   123.07826   -26.32972
   24    20 S   CT   _CB2    32     1.53173   112.19989   145.79522
   25    24 S   HC   HB21    33     1.09514   110.71041    57.72843
   26    24 S   HC   HB22    34     1.09558   110.10237   175.28786
   27    22 S   N    _N3_    24     1.38507   112.57434   156.27513
   28    27 S   H    _HN3    25     1.01653   120.36948    -2.06327
   29    24 S   S    _SG2    35     1.82884   111.50349   -66.24326
   30    27 S   CT   _CA3    26     1.45357   122.45464   178.66587
   31    30 S   HC   HA31    27     1.09568   107.77463   -56.32531
   32    30 S   HC   HA32    28     1.09563   107.63811    59.99727
   33    29 S   CT   _C16    36     1.83155   100.47946   121.84779
   34    33 S   HC   _H3_    37     1.09581   108.24180    39.82052
   35    30 S   CO3  _C3_    29     1.52885   114.35101  -178.23975
   36    35 S   O2Z  _O31    30     1.26333   116.07154    -0.90525
   37    35 S   O2Z  _O32    31     1.26438   114.40910   179.07677
   38    33 S   CO4  _C15    38     1.51193   109.14121   -74.75018
   39    38 S   O    _O35    39     1.23174   122.03113    90.45091
   40    38 S   CM   _C14    40     1.47388   118.97556   -84.75524
   41    40 S   HC   _H9_    41     1.08266   115.75931   162.46633
   42    40 S   CM   _C13    42     1.34086   120.67062   -17.19264
   43    42 S   CT   _C11    43     1.52634   123.46423    -4.42669
   44    42 S   OS   _O38    69     1.38929   123.80998   177.91578
   45    43 S   CO4  _C12    44     1.52825   108.69880   127.23891
   46    45 S   O    _O34    45     1.21675   129.21938   -68.32551
   47    33 S   CM   _C17    61     1.52964   110.77543   160.92565
   48    44 S   CT   _C20    70     1.42281   118.34105    -6.31997
   49    48 S   HC   _H13    71     1.09400   107.85847  -176.83486
   50    48 S   HC   _H14    72     1.09452   110.97518    65.24822
   51    48 S   HC   _H15    73     1.09452   110.86430   -58.92255
   52    45 S   CA   _C8_    46     1.44184   107.35688   109.53186
   53    47 S   CMA  _C18    62     1.37511   119.34818   -97.55620
   54    53 S   OM   _O36    63     1.27055   125.24946    -0.16551
   55    52 S   CA   _C9_    47     1.37807   106.05203     1.05016
   56    53 S   OS   _O37    64     1.41338   112.66998   176.39821
   57    55 S   CA   _C10    48     1.38232   120.80429  -179.92867
   58    57 S   HA   _H8_    49     1.08535   120.46415  -179.05085
   59    43 S   OS   _O33    60     1.46619   105.71100  -121.22059
   60    56 S   CT   _C19    65     1.42754   114.34335   140.37511
   61    60 S   HC   _H10    66     1.09406   107.75059  -170.90268
   62    60 S   HC   _H11    67     1.09472   111.05214    71.17001
   63    60 S   HC   _H12    68     1.09535   111.08154   -52.73236
   64    57 S   CA   _C5_    50     1.40527   118.43988     0.73275
   65    64 S   CA   _C6_    51     1.41313   119.92792    -1.22205
   66    65 S   HA   _H7_    52     1.08771   119.87499  -178.85363
   67    64 S   CT   _C4_    56     1.50054   120.07062  -178.44128
   68    67 S   HC   _H4_    57     1.09428   109.96840    89.62579
   69    67 S   HC   _H5_    58     1.09504   110.86739  -149.86190
   70    67 S   HC   _H6_    59     1.09507   110.92209   -30.84953
   71    52 S   CA   _C7_    53     1.37785   131.61649  -178.75746
   72    71 S   OH   _O39    54     1.36057   122.85653    -0.39762
   73    72 S   HO   _H16    55     0.97456   108.28782    -0.35827
  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   8   5   4   3
  13   6   2   1   1   8   4   8   3  13  13   7  10   5   7   3
   2   1   1  10   7   2   8   4  10   4   2   3   2   1   1   8
   8   3   4   2   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    47    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    59    47    53    54    56  
   38    39    40    43    47    53  
   36    37  
   37  
    0  
   39    40    41    42    43    47    53    44  
   40    41    42    47  
   41    42    43    45    59    47    44    48  
   42    43    44  
   43    45    46    52    55    59    47    53    44    48    49    50    51  
   45    46    52    55    57    71    59    47    53    54    56    44    48  
   48    49    50    51    45    47    59  
   46    52    55    57    65    71    72    59    47    53  
   52    55    71    59    47  
   53    54    56    60    52    55    59  
   49    50    51  
   50    51  
   51  
    0  
   55    57    58    64    65    66    71    72    73    59  
   54    56    60    61    62    63    59  
   56    60  
   57    58    64    65    71    72    67    59  
   60    61    62    63  
   58    64    65    66    71    67    68    69    70    59  
   64    65    67    59  
   64    71  
   61    62    63  
   62    63  
   63  
    0  
   65    66    71    72    67    68    69    70  
   66    71    72    73    67    68    69    70  
   71    72    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73  
   73  
    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   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.386000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   55   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   56   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.065000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   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   317.000  1.522
   33    47   317.000  1.510
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   340.000  1.080
   40    42   549.000  1.340
   42    43   317.000  1.510
   42    44   440.000  1.360
   43    45   317.000  1.522
   43    59   320.000  1.410
   43    47   317.000  1.510
   45    46   570.000  1.229
   45    52   310.000  1.470
   52    55   469.000  1.400
   52    71   469.000  1.400
   55    57   469.000  1.400
   55    59   450.000  1.364
   57    58   367.000  1.080
   57    64   469.000  1.400
   64    65   469.000  1.400
   64    67   317.000  1.510
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   47    53   465.000  1.376
   53    54   745.000  1.250
   53    56   440.000  1.360
   56    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   44    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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  110.18000
   29    33    47    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    47    43    65.00000  117.92700
   33    47    53    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    40    41    40.00000  117.72500
   38    40    42    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    42    43    70.00000  124.00000
   40    42    44    80.00000  120.01400
   42    40    41    35.00000  120.00000
   42    43    45    70.00000  109.06800
   42    43    59    85.00000  110.90400
   42    43    47    70.00000  110.12100
   42    44    48    90.00000  111.18400
   43    45    46    80.00000  120.40000
   43    45    52    65.00000  115.47100
   43    59    55    75.00000  111.00000
   43    47    53    70.00000  124.00000
   45    52    55    60.00000  119.52600
   45    52    71    60.00000  119.52600
   52    45    46    75.00000  123.78400
   52    55    57    63.00000  120.00000
   52    55    59    70.00000  120.00000
   52    71    65    63.00000  120.00000
   52    71    72    70.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    64    63.00000  120.00000
   57    64    65    63.00000  120.00000
   57    64    67    70.00000  120.00000
   64    57    58    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    71    63.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    70.00000  120.00000
   71    52    55    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    72    73    35.00000  113.00000
   67    64    65    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   59    43    45    90.00000  108.74100
   59    55    57    70.00000  120.00000
   47    33    34    35.00000  109.50000
   47    33    38    70.00000  109.06800
   47    43    45    70.00000  109.06800
   47    43    59    85.00000  110.90400
   47    53    54    65.00000  137.10300
   47    53    56    80.00000  120.01400
   53    56    60    90.00000  111.18400
   56    53    54    65.00000  121.00000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   44    42    43    85.00000  112.85300
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47  -0.62250  1.0 1.0
   24    29    33    47  -0.38450 -1.0 2.0
   24    29    33    47   0.81900  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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    43   0.30250  1.0 1.0
   29    33    47    43  -0.14950 -1.0 2.0
   29    33    47    43   0.36900  1.0 3.0
   29    33    47    53   0.42700  1.0 1.0
   29    33    47    53  -0.70350 -1.0 2.0
   29    33    47    53  -0.43150  1.0 3.0
   33    38    40    41   0.04550  1.0 1.0
   33    38    40    41   0.83000 -1.0 2.0
   33    38    40    41  -0.04000  1.0 3.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   33    47    53    54   7.00000 -1.0 2.0
   33    47    53    56   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    43   0.34800  1.0 3.0
   34    33    47    53   0.00000  1.0 1.0
   38    33    47    43   0.17250  1.0 1.0
   38    33    47    43  -0.04100 -1.0 2.0
   38    33    47    43  -0.33850  1.0 3.0
   38    33    47    53  -0.51250  1.0 1.0
   38    33    47    53  -0.88800 -1.0 2.0
   38    33    47    53   0.08850  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    44   7.00000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   1.00000 -1.0 2.0
   40    42    43    45  -0.51250  1.0 1.0
   40    42    43    45  -0.88800 -1.0 2.0
   40    42    43    45   0.08850  1.0 3.0
   40    42    43    59   0.39000  1.0 1.0
   40    42    43    59  -0.05800 -1.0 2.0
   40    42    43    59  -0.55150  1.0 3.0
   40    42    43    47  -0.28300  1.0 1.0
   40    42    43    47   0.26700 -1.0 2.0
   40    42    43    47  -0.63300  1.0 3.0
   40    42    44    48  -2.26850  1.0 1.0
   40    42    44    48   3.39050 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    43    45    46   0.30150 -1.0 2.0
   42    43    45    52   0.65300  1.0 1.0
   42    43    45    52  -0.03850 -1.0 2.0
   42    43    45    52   0.33900  1.0 3.0
   42    43    59    55  -0.25600  1.0 1.0
   42    43    59    55  -0.40050 -1.0 2.0
   42    43    59    55   0.34700  1.0 3.0
   42    43   -47    33   0.09700  1.0 1.0
   42    43   -47    33   0.15600 -1.0 2.0
   42    43   -47    33  -0.50800  1.0 3.0
   42    43    47    53  -0.28300  1.0 1.0
   42    43    47    53   0.26700 -1.0 2.0
   42    43    47    53  -0.63300  1.0 3.0
   42    44    48    49   0.08050  1.0 3.0
   42    44    48    50   0.08050  1.0 3.0
   42    44    48    51   0.08050  1.0 3.0
   43    42    44    48   2.00000 -1.0 2.0
   43    45   -52    55   2.26350  1.0 1.0
   43    45   -52    55   0.76750 -1.0 2.0
   43    45   -52    55   0.22500  1.0 3.0
   43    45    52    71   2.26350  1.0 1.0
   43    45    52    71   0.76750 -1.0 2.0
   43    45    52    71   0.22500  1.0 3.0
   43    47    53    54   7.00000 -1.0 2.0
   43    47    53    56   7.00000 -1.0 2.0
   45    43   -59    55  -0.25600  1.0 1.0
   45    43   -59    55  -0.40050 -1.0 2.0
   45    43   -59    55   0.34700  1.0 3.0
   45    43    47    33   0.17250  1.0 1.0
   45    43    47    33  -0.04100 -1.0 2.0
   45    43    47    33  -0.33850  1.0 3.0
   45    43    47    53  -0.51250  1.0 1.0
   45    43    47    53  -0.88800 -1.0 2.0
   45    43    47    53   0.08850  1.0 3.0
   45    52    55    57   3.62500 -1.0 2.0
   45    52   -55    59   3.62500 -1.0 2.0
   45    52    71    65   3.62500 -1.0 2.0
   45    52    71    72   3.62500 -1.0 2.0
   46    45    52    55   1.05000 -1.0 2.0
   46    45    52    71   1.05000 -1.0 2.0
   52    55    57    58   3.62500 -1.0 2.0
   52    55    57    64   3.62500 -1.0 2.0
   52    55   -59    43   1.63200 -1.0 2.0
   52    71    72    73   0.84100 -1.0 2.0
   55    52    71    65   3.62500 -1.0 2.0
   55    52    71    72   3.62500 -1.0 2.0
   55    57   -64    65   3.62500 -1.0 2.0
   55    57    64    67   3.62500 -1.0 2.0
   57    55    59    43   1.63200 -1.0 2.0
   57    64    65    66   3.62500 -1.0 2.0
   57    64    65    71   3.62500 -1.0 2.0
   57    64    67    68   0.00000  1.0 1.0
   57    64    67    69   0.00000  1.0 1.0
   57    64    67    70   0.00000  1.0 1.0
   58    57    64    65   3.62500 -1.0 2.0
   58    57    64    67   3.62500 -1.0 2.0
   64    65   -71    52   3.62500 -1.0 2.0
   64    65    71    72   3.62500 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    72    73   0.84100 -1.0 2.0
   66    65    71    52   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   71    52   -55    57   3.62500 -1.0 2.0
   71    52    55    59   3.62500 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    71   3.62500 -1.0 2.0
   59    43    45    46   0.30150 -1.0 2.0
   59    43   -45    52   0.65300  1.0 1.0
   59    43   -45    52  -0.03850 -1.0 2.0
   59    43   -45    52   0.33900  1.0 3.0
   59    43    47    33   0.09700  1.0 1.0
   59    43    47    33   0.15600 -1.0 2.0
   59    43    47    33  -0.50800  1.0 3.0
   59    43    47    53   0.39000  1.0 1.0
   59    43    47    53  -0.05800 -1.0 2.0
   59    43    47    53  -0.55150  1.0 3.0
   59    55    57    58   3.62500 -1.0 2.0
   59    55    57    64   3.62500 -1.0 2.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.65300  1.0 1.0
   47    33   -38    40  -0.03850 -1.0 2.0
   47    33   -38    40   0.33900  1.0 3.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43    45    52   0.65300  1.0 1.0
   47    43    45    52  -0.03850 -1.0 2.0
   47    43    45    52   0.33900  1.0 3.0
   47    43    59    55  -0.25600  1.0 1.0
   47    43    59    55  -0.40050 -1.0 2.0
   47    43    59    55   0.34700  1.0 3.0
   47    53    56    60  -2.26850  1.0 1.0
   47    53    56    60   3.39050 -1.0 2.0
   53    56    60    61   0.08050  1.0 3.0
   53    56    60    62   0.08050  1.0 3.0
   53    56    60    63   0.08050  1.0 3.0
   54    53    56    60   2.00000 -1.0 2.0
   44    42    43    45   0.09700  1.0 1.0
   44    42    43    45   0.15600 -1.0 2.0
   44    42    43    45  -0.50800  1.0 3.0
   44    42    43    59   0.09700  1.0 1.0
   44    42    43    59   0.15600 -1.0 2.0
   44    42    43    59  -0.50800  1.0 3.0
   44    42    43    47   0.09700  1.0 1.0
   44    42    43    47   0.15600 -1.0 2.0
   44    42    43    47  -0.50800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    41    40    42   1.10000 -1.0 2.0
   43    44    42    40   1.10000 -1.0 2.0
   43    52    45    46  10.50000 -1.0 2.0
   55    71    52    45   4.00000 -1.0 2.0
   57    59    55    52   4.00000 -1.0 2.0
   64    58    57    55   1.10000 -1.0 2.0
   65    67    64    57   4.00000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
   65    72    71    52   4.00000 -1.0 2.0
   33    43    47    53   1.10000 -1.0 2.0
   54    56    53    47   1.10000 -1.0 2.0
END
