* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    209     393
    1     0 S   NP   _N1_     1    28.74496    96.50475   -23.56274
    2     1 S   H    _HN1     2     1.02791   106.94647   -95.76200
    3     1 S   H    _H1_     3     1.02949    71.73731     8.48793
    4     1 S   H    _H2_     4     1.02829    37.87347   166.70870
    5     1 S   CT   _CA1     5     1.50117   137.10398   109.13224
    6     5 S   HC   _HA1     6     1.09573   105.18950    92.93193
    7     5 S   CO3  _C1_     7     1.53784   112.41578   -27.30609
    8     7 S   O2Z  _O11     8     1.26374   115.01250   -43.76148
    9     7 S   O2Z  _O12     9     1.26235   114.94098   135.29304
   10     5 S   CT   _CB1    10     1.53067   107.40777  -149.10807
   11    10 S   HC   HB11    11     1.09837   109.37000   -49.62071
   12    10 S   HC   HB12    12     1.09812   110.46110    66.98169
   13    10 S   CT   _CG1    13     1.53000   112.61095  -170.57352
   14    13 S   HC   HG11    14     1.09581   110.66400   -65.82339
   15    13 S   HC   HG12    15     1.09668   109.76791    53.42246
   16    13 S   C    _CD1    16     1.51803   112.12332   173.88923
   17    16 S   O    _OE1    17     1.22747   123.23188     8.37977
   18    16 S   N    _N2_    18     1.38626   111.73213  -171.61194
   19    18 S   H    _HN2    19     1.01573   119.04679     1.36430
   20    18 S   CT1  _CA2    20     1.46251   123.45376   178.07817
   21    20 S   HC   _HA2    21     1.09740   109.24405     7.09697
   22    20 S   C    _C2_    22     1.53652   109.03937  -108.49725
   23    22 S   O    _O2_    23     1.23089   122.23604  -149.92404
   24    20 S   CT   _CB2    32     1.53450   111.49669   128.98371
   25    24 S   HC   HB21    33     1.09520   109.55094    57.48816
   26    24 S   HC   HB22    34     1.09456   109.77162   176.34719
   27    22 S   N    _N3_    24     1.38317   113.90857    37.62569
   28    27 S   H    _HN3    25     1.01548   119.60907    -3.32260
   29    24 S   S    _SG2    35     1.83355   110.97597   -63.90569
   30    27 S   CT   _CA3    26     1.45279   123.23178   177.13707
   31    30 S   HC   HA31    27     1.09549   107.51721   -64.62458
   32    30 S   HC   HA32    28     1.09558   107.98405    51.81924
   33    29 S   CT   _C14    36     1.84987   102.12896   174.19569
   34    33 S   OM   _O36    37     1.31858   110.95611   -60.80070
   35    30 S   CO3  _C3_    29     1.52962   114.07811   173.82857
   36    35 S   O2Z  _O31    30     1.26378   116.08725    -0.08623
   37    35 S   O2Z  _O32    31     1.26427   114.41176   179.96574
   38    33 S   CM   _C13    38     1.50876   109.44630    57.29118
   39    38 S   HC   _H7_    39     1.08884   120.04366   -86.89185
   40    38 S   CM   _C12    40     1.33827   120.91202   100.64184
   41    40 S   CT   _C11    41     1.53065   125.09970    -4.12241
   42    41 S   CA   _C9_    42     1.52960    98.07750   154.32260
   43    41 S   CMA  _C16    63     1.56072   110.42589    27.36506
   44    43 S   OM   _O34    64     1.26509   112.72824   158.20885
   45    41 S   CT   _C19    72     1.54982   108.59940   -93.60355
   46    45 S   HC   _H11    73     1.09522   111.89460    68.86848
   47    45 S   HC   _H12    74     1.09766   111.91081   -51.37051
   48    45 S   HC   _H13    75     1.09654   111.59080  -171.05284
   49    42 S   CA   _C8_    43     1.40478   108.91909     9.02042
   50    33 S   CM   _C15    65     1.53896   108.87188   178.84191
   51    49 S   CA   _C7_    44     1.38823   123.17131   175.72218
   52    40 S   OS   _O37    62     1.38632   121.73742   163.14675
   53    50 S   CO4  _C17    66     1.50780   118.91931    80.66121
   54    53 S   O    _O35    67     1.23096   121.01150    99.02097
   55    51 S   CA   _C6_    45     1.40391   117.28413    -1.90362
   56    51 S   CO4  _C20    56     1.48625   121.64378   179.26432
   57    56 S   O    _O38    57     1.22920   119.36102   146.34741
   58    53 S   CT   _C18    68     1.50570   117.48791   -79.71763
   59    58 S   HC   _H8_    69     1.09253   109.65432    95.81913
   60    58 S   HC   _H9_    70     1.09316   110.98163   -25.87402
   61    58 S   HC   _H10    71     1.09391   109.00647  -144.14041
   62    55 S   CA   _C5_    46     1.41363   121.37929     1.40889
   63    55 S   OH   _O39    54     1.37387   121.57202  -178.47633
   64    63 S   HO   _H17    55     0.97333   109.23293     7.71167
   65    56 S   CT   _C21    58     1.50623   119.37887   -34.41750
   66    65 S   HC   _H14    59     1.09253   109.87567    93.21293
   67    65 S   HC   _H15    60     1.09326   111.24594   -29.50810
   68    65 S   HC   _H16    61     1.09445   108.80666  -147.28010
   69    42 S   CA   _C10    47     1.39182   132.02758  -179.18627
   70    62 S   CT   _C4_    50     1.50729   120.36637  -178.30858
   71    70 S   HC   _H3_    51     1.09432   109.84723    86.37695
   72    70 S   HC   _H4_    52     1.09483   111.54712  -152.81511
   73    70 S   HC   _H5_    53     1.09485   111.39024   -34.48203
   74    69 S   OH   _O33    48     1.36681   121.78543     3.68190
   75    74 S   HO   _H6_    49     0.97600   107.88243    16.05039
  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
  12   6   2   1   1  10   4  13  15  17  12   3   7   2   1   1
  10   6  13   3   5   4  12   7   4   3   2   1   1   9   3   1
   3   2   1   1   6   4   2   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    50    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    52    43    44    50    53    54    58  
   38    39    40    43    50    53  
   36    37  
   37  
    0  
   39    40    41    42    49    52    43    50    53    45  
   40    41    52    50  
   41    42    49    51    69    52    43    44    50    45    46    47    48  
   42    49    51    62    69    74    52    43    44    50    53    45    46    47    48  
   49    51    55    62    69    74    75    70    56    52    43    44    50    45    46    47    48  
   44    50    53    54    58    45    46    47    48    49    52    69  
   50    53    45  
   46    47    48    49    50    52    69  
   47    48  
   48  
    0  
   51    55    62    69    74    63    56    57    65    52  
   53    54    58    59    60    61  
   55    62    69    70    63    64    56    57    65    66    67    68    52  
   55    56    69  
   54    58    59    60    61  
   58    59    60    61  
   62    69    74    70    71    72    73    63    64    56    57    65  
   57    65    66    67    68    62    63  
   65    66    67    68  
   59    60    61  
   60    61  
   61  
    0  
   69    74    75    70    71    72    73    63    64  
   64    69    70  
    0  
   66    67    68  
   67    68  
   68  
    0  
   74    75    70    71    72    73  
   71    72    73    74  
   72    73  
   73  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   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   570.000  1.307
   33    38   317.000  1.510
   33    50   317.000  1.510
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   317.000  1.510
   40    52   440.000  1.360
   41    42   317.000  1.510
   41    43   270.000  1.512
   41    45   268.000  1.529
   42    49   469.000  1.400
   42    69   469.000  1.400
   49    51   469.000  1.400
   49    52   450.000  1.364
   51    55   469.000  1.400
   51    56   310.000  1.470
   55    62   469.000  1.400
   55    63   450.000  1.364
   62    69   469.000  1.400
   62    70   317.000  1.510
   69    74   450.000  1.364
   74    75   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   63    64   553.000  0.945
   56    57   570.000  1.229
   56    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   43    44   745.000  1.250
   43    50   465.000  1.376
   50    53   320.000  1.462
   53    54   570.000  1.229
   53    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    50    43    70.00000  124.00000
   33    50    53    65.00000  116.34900
   38    33    34    85.00000  110.90400
   38    40    41    70.00000  124.00000
   38    40    52    80.00000  120.01400
   40    38    39    35.00000  120.00000
   40    41    42    70.00000  112.99600
   40    41    43    70.00000  110.12100
   40    41    45    70.00000  112.02700
   40    52    49    90.00000  114.30300
   41    42    49    70.00000  120.00000
   41    42    69    70.00000  120.00000
   41    43    44    85.00000  112.85300
   41    43    50    65.00000  122.18000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   42    49    51    63.00000  120.00000
   42    49    52    70.00000  120.00000
   42    69    62    63.00000  120.00000
   42    69    74    70.00000  120.00000
   49    51    55    63.00000  120.00000
   49    51    56    60.00000  119.52600
   51    55    62    63.00000  120.00000
   51    55    63    70.00000  120.00000
   51    56    57    75.00000  123.78400
   51    56    65    65.00000  115.47100
   55    62    69    63.00000  120.00000
   55    62    70    70.00000  120.00000
   55    63    64    35.00000  113.00000
   62    69    74    70.00000  120.00000
   62    70    71    35.00000  109.50000
   62    70    72    35.00000  109.50000
   62    70    73    35.00000  109.50000
   69    42    49    63.00000  120.00000
   69    74    75    35.00000  113.00000
   70    62    69    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   63    55    62    70.00000  120.00000
   56    51    55    60.00000  119.52600
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    68    35.00000  109.50000
   65    56    57    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   52    40    41    85.00000  112.85300
   52    49    51    70.00000  120.00000
   43    41    42    70.00000  112.99600
   43    50    53    60.00000  125.92000
   50    33    34    85.00000  110.90400
   50    33    38    70.00000  110.12100
   50    43    44    65.00000  137.10300
   50    53    54    80.00000  123.72100
   50    53    58    65.00000  118.62400
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    35.00000  109.50000
   58    53    54    80.00000  120.40000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   45    41    42    70.00000  112.17500
   45    41    43    70.00000  112.02700
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    50    43   0.42700  1.0 1.0
   29    33    50    43  -0.70350 -1.0 2.0
   29    33    50    43  -0.43150  1.0 3.0
   29    33    50    53   0.09700  1.0 1.0
   29    33    50    53   0.15600 -1.0 2.0
   29    33    50    53  -0.50800  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    52   7.00000 -1.0 2.0
   33    50    53    54  -0.64400  1.0 1.0
   33    50    53    54   0.26850 -1.0 2.0
   33    50    53    58   0.25700  1.0 1.0
   33    50    53    58   0.66200 -1.0 2.0
   33    50    53    58   0.04450  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    50    43   0.39000  1.0 1.0
   34    33    50    43  -0.05800 -1.0 2.0
   34    33    50    43  -0.55150  1.0 3.0
   34    33    50    53   0.09700  1.0 1.0
   34    33    50    53   0.15600 -1.0 2.0
   34    33    50    53  -0.50800  1.0 3.0
   38    33    50    43  -0.28300  1.0 1.0
   38    33    50    43   0.26700 -1.0 2.0
   38    33    50    43  -0.63300  1.0 3.0
   38    33    50    53   0.09700  1.0 1.0
   38    33    50    53   0.15600 -1.0 2.0
   38    33    50    53  -0.50800  1.0 3.0
   38    40    41    42   1.44450  1.0 1.0
   38    40    41    42   0.06600 -1.0 2.0
   38    40    41    42   0.29250  1.0 3.0
   38    40   -41    43  -0.28300  1.0 1.0
   38    40   -41    43   0.26700 -1.0 2.0
   38    40   -41    43  -0.63300  1.0 3.0
   38    40    41    45   0.09850  1.0 1.0
   38    40    41    45   0.15250 -1.0 2.0
   38    40    41    45  -0.50650  1.0 3.0
   38    40    52    49   2.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    52   7.00000 -1.0 2.0
   40    41   -42    49   0.18050 -1.0 2.0
   40    41    42    69   0.18050 -1.0 2.0
   40    41    43    44   0.09700  1.0 1.0
   40    41    43    44   0.15600 -1.0 2.0
   40    41    43    44  -0.50800  1.0 3.0
   40    41    43    50  -0.28300  1.0 1.0
   40    41    43    50   0.26700 -1.0 2.0
   40    41    43    50  -0.63300  1.0 3.0
   40    41    45    46   0.15000  1.0 3.0
   40    41    45    47   0.15000  1.0 3.0
   40    41    45    48   0.15000  1.0 3.0
   41    40   -52    49   2.00000 -1.0 2.0
   41    42    49    51   3.62500 -1.0 2.0
   41    42   -49    52   3.62500 -1.0 2.0
   41    42    69    62   3.62500 -1.0 2.0
   41    42    69    74   3.62500 -1.0 2.0
   41    43   -50    33   7.00000 -1.0 2.0
   41    43    50    53   7.00000 -1.0 2.0
   42    41    43    44   0.09700  1.0 1.0
   42    41    43    44   0.15600 -1.0 2.0
   42    41    43    44  -0.50800  1.0 3.0
   42    41    43    50   1.44450  1.0 1.0
   42    41    43    50   0.06600 -1.0 2.0
   42    41    43    50   0.29250  1.0 3.0
   42    41    45    46   0.43200  1.0 3.0
   42    41    45    47   0.43200  1.0 3.0
   42    41    45    48   0.43200  1.0 3.0
   42    49    51    55   3.62500 -1.0 2.0
   42    49    51    56   3.62500 -1.0 2.0
   42    49   -52    40   0.00000  1.0 1.0
   42    69    74    75   0.84100 -1.0 2.0
   49    42    69    62   3.62500 -1.0 2.0
   49    42    69    74   3.62500 -1.0 2.0
   49    51   -55    62   3.62500 -1.0 2.0
   49    51    55    63   3.62500 -1.0 2.0
   49    51    56    57   1.05000 -1.0 2.0
   49    51    56    65   2.26350  1.0 1.0
   49    51    56    65   0.76750 -1.0 2.0
   49    51    56    65   0.22500  1.0 3.0
   51    49    52    40   0.00000  1.0 1.0
   51    55    62    69   3.62500 -1.0 2.0
   51    55    62    70   3.62500 -1.0 2.0
   51    55    63    64   0.84100 -1.0 2.0
   51    56    65    66   0.00000  1.0 1.0
   51    56    65    67   0.00000  1.0 1.0
   51    56    65    68   0.00000  1.0 1.0
   55    51    56    57   1.05000 -1.0 2.0
   55    51    56    65   2.26350  1.0 1.0
   55    51    56    65   0.76750 -1.0 2.0
   55    51    56    65   0.22500  1.0 3.0
   55    62   -69    42   3.62500 -1.0 2.0
   55    62    69    74   3.62500 -1.0 2.0
   55    62    70    71   0.00000  1.0 1.0
   55    62    70    72   0.00000  1.0 1.0
   55    62    70    73   0.00000  1.0 1.0
   62    55    63    64   0.84100 -1.0 2.0
   62    69    74    75   0.84100 -1.0 2.0
   69    42   -49    51   3.62500 -1.0 2.0
   69    42    49    52   3.62500 -1.0 2.0
   69    62    70    71   0.00000  1.0 1.0
   69    62    70    72   0.00000  1.0 1.0
   69    62    70    73   0.00000  1.0 1.0
   70    62    69    42   3.62500 -1.0 2.0
   70    62    69    74   3.62500 -1.0 2.0
   63    55    62    69   3.62500 -1.0 2.0
   63    55    62    70   3.62500 -1.0 2.0
   56    51    55    62   3.62500 -1.0 2.0
   56    51    55    63   3.62500 -1.0 2.0
   57    56    65    66   0.00000  1.0 1.0
   57    56    65    67   0.00000  1.0 1.0
   57    56    65    68   0.00000  1.0 1.0
   52    40   -41    42   0.09700  1.0 1.0
   52    40   -41    42   0.15600 -1.0 2.0
   52    40   -41    42  -0.50800  1.0 3.0
   52    40    41    43   0.09700  1.0 1.0
   52    40    41    43   0.15600 -1.0 2.0
   52    40    41    43  -0.50800  1.0 3.0
   52    40    41    45   0.09700  1.0 1.0
   52    40    41    45   0.15600 -1.0 2.0
   52    40    41    45  -0.50800  1.0 3.0
   52    49    51    55   3.62500 -1.0 2.0
   52    49    51    56   3.62500 -1.0 2.0
   43    41    42    49   0.18050 -1.0 2.0
   43    41    42    69   0.18050 -1.0 2.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    48   0.15000  1.0 3.0
   43    50    53    54   1.00000 -1.0 2.0
   43    50    53    58  -0.33500  1.0 1.0
   43    50    53    58   1.06600 -1.0 2.0
   43    50    53    58  -0.14000  1.0 3.0
   44    43    50    33   7.00000 -1.0 2.0
   44    43    50    53   7.00000 -1.0 2.0
   50    33    38    39   0.00000  1.0 1.0
   50    33   -38    40  -0.28300  1.0 1.0
   50    33   -38    40   0.26700 -1.0 2.0
   50    33   -38    40  -0.63300  1.0 3.0
   50    53    58    59   0.00000  1.0 1.0
   50    53    58    60   0.00000  1.0 1.0
   50    53    58    61   0.00000  1.0 1.0
   54    53    58    59   0.00000  1.0 1.0
   54    53    58    60   0.00000  1.0 1.0
   54    53    58    61   0.00000  1.0 1.0
   45    41    42    49   0.04150 -1.0 2.0
   45    41    42    69   0.04150 -1.0 2.0
   45    41    43    44   0.09700  1.0 1.0
   45    41    43    44   0.15600 -1.0 2.0
   45    41    43    44  -0.50800  1.0 3.0
   45    41    43    50   0.09850  1.0 1.0
   45    41    43    50   0.15250 -1.0 2.0
   45    41    43    50  -0.50650  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    39    38    40   1.10000 -1.0 2.0
   41    52    40    38   1.10000 -1.0 2.0
   49    69    42    41   4.00000 -1.0 2.0
   51    52    49    42   4.00000 -1.0 2.0
   55    56    51    49   4.00000 -1.0 2.0
   62    63    55    51   4.00000 -1.0 2.0
   69    70    62    55   4.00000 -1.0 2.0
   62    74    69    42   4.00000 -1.0 2.0
   51    65    56    57  10.50000 -1.0 2.0
   41    44    43    50   1.10000 -1.0 2.0
   33    53    50    43   1.10000 -1.0 2.0
   50    58    53    54  10.50000 -1.0 2.0
END
