* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    130    219     389
    1     0 S   NP   _N1_     1    28.78767    94.12311   -21.87341
    2     1 S   H    _HN1     2     1.02778    97.68149   -73.44976
    3     1 S   H    _H1_     3     1.02958    87.54319    34.76335
    4     1 S   H    _H2_     4     1.02828    26.96284   171.72270
    5     1 S   CT   _CA1     5     1.50135   136.59159   152.22760
    6     5 S   HC   _HA1     6     1.09586   105.14951    68.32120
    7     5 S   CO3  _C1_     7     1.53744   112.53593   -51.66651
    8     7 S   O2Z  _O11     8     1.26363   114.95925   -40.54528
    9     7 S   O2Z  _O12     9     1.26272   114.87247   138.46742
   10     5 S   CT   _CB1    10     1.53071   107.39992  -173.89440
   11    10 S   HC   HB11    11     1.09818   109.05909   -51.50218
   12    10 S   HC   HB12    12     1.09819   110.52951    65.01283
   13    10 S   CT   _CG1    13     1.52963   112.70155  -172.70623
   14    13 S   HC   HG11    14     1.09579   110.34875   -68.16751
   15    13 S   HC   HG12    15     1.09675   109.99026    50.97558
   16    13 S   C    _CD1    16     1.51821   112.46725   171.02620
   17    16 S   O    _OE1    17     1.22712   123.32967    -2.81661
   18    16 S   N    _N2_    18     1.38572   111.50987   177.95579
   19    18 S   H    _HN2    19     1.01587   118.96423    -0.24549
   20    18 S   CT1  _CA2    20     1.46306   123.60598   177.64175
   21    20 S   HC   _HA2    21     1.09740   109.40741    -8.41293
   22    20 S   C    _C2_    22     1.53479   108.24497  -123.70827
   23    22 S   O    _O2_    23     1.23025   122.50927  -148.65690
   24    20 S   CT   _CB2    32     1.53322   111.20887   113.92012
   25    24 S   HC   HB21    33     1.09403   109.25094    52.65543
   26    24 S   HC   HB22    34     1.09497   110.54391   171.44384
   27    22 S   N    _N3_    24     1.38420   113.46217    39.00588
   28    27 S   H    _HN3    25     1.01631   119.45326    -3.73009
   29    24 S   S    _SG2    35     1.83416   110.71892   -69.60863
   30    27 S   CT   _CA3    26     1.45271   123.12686   176.91441
   31    30 S   HC   HA31    27     1.09552   107.54101   -63.42382
   32    30 S   HC   HA32    28     1.09558   107.93068    52.97811
   33    29 S   CT   _C11    36     1.85600   102.34884   156.78958
   34    33 S   OM   _O40    37     1.31845   109.93246    52.37995
   35    30 S   CO3  _C3_    29     1.52928   114.14618   174.95015
   36    35 S   O2Z  _O31    30     1.26367   116.07090    -0.83930
   37    35 S   O2Z  _O32    31     1.26433   114.40612   179.21316
   38    33 S   CO4  _C10    38     1.53364   106.36008   -66.17045
   39    38 S   O    _O33    39     1.22965   125.17724   104.22396
   40    33 S   CT   _C12    50     1.56886   114.65787   175.11673
   41    40 S   HC   _H3_    51     1.09694   105.01121   178.11446
   42    38 S   CA   _C9_    40     1.48311   116.65286   -72.95414
   43    40 S   CM   _C14    52     1.54613   116.80753   -61.83070
   44    42 S   CA   _C4_    41     1.40253   118.35251   153.36275
   45    44 S   HA   _H4_    42     1.08681   120.62923     1.03401
   46    43 S   CM   _C19    53     1.35923   126.08766   -98.65744
   47    44 S   CA   _C5_    43     1.39135   119.53184  -178.42766
   48    46 S   CM   _C18    54     1.47486   121.93382   172.21147
   49    47 S   CA   _C6_    44     1.38922   120.73900     0.33804
   50    49 S   HA   _H5_    45     1.08699   120.11644   179.47362
   51    48 S   CM   _C17    55     1.46653   118.12378    17.08199
   52    48 S   CMA  _C23    62     1.36182   119.16712  -162.37337
   53    52 S   OM   _O36    63     1.26468   131.89164  -179.25192
   54    47 S   OH   _O42    72     1.36515   121.17726  -179.63738
   55    54 S   HO   _H10    73     0.97214   108.98754    -7.38496
   56    49 S   CA   _C7_    46     1.39555   119.54998    -0.60620
   57    51 S   CM   _C16    56     1.33276   120.63854   -12.58067
   58    57 S   HC   _H6_    57     1.08405   121.55765  -178.76362
   59    51 S   OH   _O38    60     1.38306   120.01912   168.13231
   60    59 S   HO   _H8_    61     0.97525   107.73384     3.56029
   61    52 S   CM   _C22    64     1.46602   118.69601     3.98934
   62    61 S   HC   _H7_    65     1.09358   116.86549   165.30757
   63    42 S   CA   _C8_    47     1.39956   120.98881   -25.47101
   64    43 S   CO4  _C15    58     1.51573   116.70231    83.10480
   65    64 S   O    _O39    59     1.22838   123.07888     0.09279
   66    61 S   CMA  _C21    66     1.34843   126.74592   -14.95158
   67    66 S   OM   _O37    67     1.26300   130.09571  -178.39819
   68    56 S   OH   _O41    70     1.36989   115.66334  -179.76593
   69    68 S   HO   _H9_    71     0.97403   108.72819   178.94112
   70    63 S   CO4  _C13    48     1.48670   120.06571    -4.60887
   71    70 S   O    _O34    49     1.23058   118.87796  -169.35210
   72    46 S   CO4  _C20    68     1.50598   121.63441    -9.53916
   73    72 S   O    _O35    69     1.22970   121.86970   -36.22908
  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
  13   7   2   1   1  11   4  13   6  10  14   9   4  14   7  13
   8   4  10   8   3   2   1   5   5   3   2   1   5   3   4   3
   1   3   2   2   1   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    70    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    44    63    70    71    40    41    43    46    64  
   38    39    42    70    40    41    43  
   36    37  
   37  
    0  
   39    42    44    45    47    56    63    70    40    41    43  
   42    44    63    40  
   41    43    46    48    57    64    65    72    42    56    63    70    71  
   43    46    64    63    70    71  
   44    45    47    49    56    63    70    71    68    54  
   46    48    51    57    58    64    65    52    66    72    73    63    70    71  
   45    47    49    50    56    63    70    54    55  
   47    49    63    54  
   48    51    57    64    65    59    52    53    61    66    67    72    73    70  
   49    50    56    63    68    54    55  
   51    57    58    64    59    60    52    53    61    62    66    72    73  
   50    56    63    70    68    69    54    55  
   56    63    68    54  
   57    58    64    65    59    60    52    53    61    72  
   53    61    62    66    67    72    57    59  
   61    62    66  
   55    56  
    0  
   63    70    71    68    69  
   58    64    65    59    60  
   64    65    59  
   60    64  
    0  
   62    66    67    72    73  
   66    67    72  
   70    71    68    69  
   65    72    70  
    0  
   67    72    73  
   72    73  
   69    70  
    0  
   71  
    0  
   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  -0.175000   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760  -1.317400   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    44   469.000  1.400
   42    63   469.000  1.400
   44    45   367.000  1.080
   44    47   469.000  1.400
   47    49   469.000  1.400
   47    54   450.000  1.364
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    63   469.000  1.400
   56    68   450.000  1.364
   63    70   310.000  1.470
   70    71   570.000  1.229
   70    40   317.000  1.522
   40    41   340.000  1.090
   40    43   317.000  1.510
   43    46   549.000  1.340
   43    64   320.000  1.462
   46    48   380.000  1.444
   46    72   320.000  1.462
   48    51   380.000  1.444
   48    52   465.000  1.376
   51    57   549.000  1.340
   51    59   510.000  1.338
   57    58   340.000  1.080
   57    64   320.000  1.462
   64    65   570.000  1.229
   59    60   553.000  0.945
   52    53   745.000  1.250
   52    61   465.000  1.376
   61    62   340.000  1.080
   61    66   465.000  1.376
   66    67   745.000  1.250
   66    72   270.000  1.476
   72    73   570.000  1.229
   68    69   553.000  0.945
   54    55   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    70    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  112.02700
   38    33    34    90.00000  108.74100
   38    42    44    60.00000  119.52600
   38    42    63    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    44    45    35.00000  120.00000
   42    44    47    63.00000  120.00000
   42    63    56    63.00000  120.00000
   42    63    70    60.00000  119.52600
   44    47    49    63.00000  120.00000
   44    47    54    70.00000  120.00000
   47    44    45    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    56    63.00000  120.00000
   47    54    55    35.00000  113.00000
   49    56    63    63.00000  120.00000
   49    56    68    70.00000  120.00000
   56    49    50    35.00000  120.00000
   56    63    70    60.00000  119.52600
   56    68    69    35.00000  113.00000
   63    42    44    63.00000  120.00000
   63    70    71    75.00000  123.78400
   63    70    40    65.00000  115.47100
   70    40    41    35.00000  109.50000
   70    40    43    70.00000  109.06800
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    70    71    80.00000  120.40000
   40    43    46    70.00000  124.00000
   40    43    64    65.00000  116.34900
   43    40    41    35.00000  109.50000
   43    46    48    70.00000  123.01800
   43    46    72    65.00000  118.96000
   43    64    57    65.00000  118.65900
   43    64    65    80.00000  123.72100
   46    48    51    70.00000  123.01800
   46    48    52    70.00000  117.34000
   46    72    66    65.00000  118.65900
   46    72    73    80.00000  123.72100
   48    51    57    70.00000  123.01800
   48    51    59    80.00000  121.38400
   48    52    53    65.00000  137.10300
   48    52    61    70.00000  123.01800
   51    57    58    35.00000  120.00000
   51    57    64    65.00000  118.96000
   51    59    60    70.00000  107.45700
   57    64    65    80.00000  123.72100
   64    43    46    65.00000  118.96000
   64    57    58    40.00000  117.72500
   59    51    57    80.00000  121.38400
   52    48    51    70.00000  117.34000
   52    61    62    40.00000  120.50800
   52    61    66    70.00000  117.34000
   61    52    53    65.00000  137.10300
   61    66    67    65.00000  137.10300
   61    66    72    65.00000  114.61000
   66    61    62    40.00000  120.50800
   66    72    73    80.00000  120.81000
   72    46    48    65.00000  118.96000
   72    66    67    85.00000  116.28000
   68    56    63    70.00000  120.00000
   54    47    49    70.00000  120.00000
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   0.01700  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   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    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    70   0.56750  1.0 1.0
   29    33    40    70  -0.07550 -1.0 2.0
   29    33    40    70   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    44   2.26350  1.0 1.0
   33    38    42    44   0.76750 -1.0 2.0
   33    38    42    44   0.22500  1.0 3.0
   33    38    42    63   2.26350  1.0 1.0
   33    38    42    63   0.76750 -1.0 2.0
   33    38    42    63   0.22500  1.0 3.0
   33    40    43    46   0.09850  1.0 1.0
   33    40    43    46   0.15250 -1.0 2.0
   33    40    43    46  -0.50650  1.0 3.0
   33    40    43    64   0.09700  1.0 1.0
   33    40    43    64   0.15600 -1.0 2.0
   33    40    43    64  -0.50800  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.65300  1.0 1.0
   34    33    38    42  -0.03850 -1.0 2.0
   34    33    38    42   0.33900  1.0 3.0
   34    33    40    70  -0.09450  1.0 1.0
   34    33    40    70  -1.12950 -1.0 2.0
   34    33    40    70   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43   0.61850  1.0 1.0
   34    33    40    43  -0.22750 -1.0 2.0
   34    33    40    43   0.15300  1.0 3.0
   38    33    40    70   0.11950  1.0 1.0
   38    33    40    70   0.20300 -1.0 2.0
   38    33    40    70  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    42    44    45   3.62500 -1.0 2.0
   38    42    44    47   3.62500 -1.0 2.0
   38    42    63    56   3.62500 -1.0 2.0
   38    42   -63    70   3.62500 -1.0 2.0
   39    38    42    44   1.05000 -1.0 2.0
   39    38    42    63   1.05000 -1.0 2.0
   42    44    47    49   3.62500 -1.0 2.0
   42    44    47    54   3.62500 -1.0 2.0
   42    63    70    71   1.05000 -1.0 2.0
   42    63    70    40   2.26350  1.0 1.0
   42    63    70    40   0.76750 -1.0 2.0
   42    63    70    40   0.22500  1.0 3.0
   44    42    63    56   3.62500 -1.0 2.0
   44    42    63    70   3.62500 -1.0 2.0
   44    47    49    50   3.62500 -1.0 2.0
   44    47   -49    56   3.62500 -1.0 2.0
   44    47    54    55   0.84100 -1.0 2.0
   45    44    47    49   3.62500 -1.0 2.0
   45    44    47    54   3.62500 -1.0 2.0
   47    49    56    63   3.62500 -1.0 2.0
   47    49    56    68   3.62500 -1.0 2.0
   49    47    54    55   0.84100 -1.0 2.0
   49    56   -63    42   3.62500 -1.0 2.0
   49    56    63    70   3.62500 -1.0 2.0
   49    56    68    69   0.84100 -1.0 2.0
   50    49    56    63   3.62500 -1.0 2.0
   50    49    56    68   3.62500 -1.0 2.0
   56    63    70    71   1.05000 -1.0 2.0
   56    63    70    40   2.26350  1.0 1.0
   56    63    70    40   0.76750 -1.0 2.0
   56    63    70    40   0.22500  1.0 3.0
   63    42    44    45   3.62500 -1.0 2.0
   63    42   -44    47   3.62500 -1.0 2.0
   63    56    68    69   0.84100 -1.0 2.0
   63    70   -40    33   0.05850 -1.0 2.0
   63    70   -40    33   0.17250  1.0 3.0
   63    70    40    41   0.00000  1.0 1.0
   63    70    40    43   0.65300  1.0 1.0
   63    70    40    43  -0.03850 -1.0 2.0
   63    70    40    43   0.33900  1.0 3.0
   70    40    43    46  -0.51250  1.0 1.0
   70    40    43    46  -0.88800 -1.0 2.0
   70    40    43    46   0.08850  1.0 3.0
   70    40    43    64   0.09700  1.0 1.0
   70    40    43    64   0.15600 -1.0 2.0
   70    40    43    64  -0.50800  1.0 3.0
   71    70    40    33   0.30150 -1.0 2.0
   71    70    40    41   0.00000  1.0 1.0
   71    70    40    43   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.05850 -1.0 2.0
   40    33   -38    42   0.17250  1.0 3.0
   40    43    46    48   7.00000 -1.0 2.0
   40    43    46    72   7.00000 -1.0 2.0
   40    43    64    57   1.50000 -1.0 2.0
   40    43    64    65  -0.64400  1.0 1.0
   40    43    64    65   0.26850 -1.0 2.0
   41    40    43    46   0.00000  1.0 1.0
   41    40    43    64   0.15000  1.0 3.0
   43    46    48    51   0.28850  1.0 1.0
   43    46    48    51   2.61350 -1.0 2.0
   43    46    48    51   0.78400  1.0 3.0
   43    46    48    52   0.28850  1.0 1.0
   43    46    48    52   2.61350 -1.0 2.0
   43    46    48    52   0.78400  1.0 3.0
   43    46    72    66  -1.18350  1.0 1.0
   43    46    72    66   1.45950 -1.0 2.0
   43    46    72    73   1.00000 -1.0 2.0
   46    43    64    57  -1.18350  1.0 1.0
   46    43    64    57   1.45950 -1.0 2.0
   46    43    64    65   1.00000 -1.0 2.0
   46    48   -51    57   0.28850  1.0 1.0
   46    48   -51    57   2.61350 -1.0 2.0
   46    48   -51    57   0.78400  1.0 3.0
   46    48    51    59   0.50950  1.0 1.0
   46    48    51    59   0.56650 -1.0 2.0
   46    48    51    59   0.34050  1.0 3.0
   46    48    52    53   7.00000 -1.0 2.0
   46    48    52    61   7.00000 -1.0 2.0
   48    46    72    66  -1.18350  1.0 1.0
   48    46    72    66   1.45950 -1.0 2.0
   48    46    72    73   1.00000 -1.0 2.0
   48    51    57    58   7.00000 -1.0 2.0
   48    51    57    64   7.00000 -1.0 2.0
   48    51    59    60  -0.66100  1.0 1.0
   48    51    59    60   1.20850 -1.0 2.0
   48    51    59    60  -0.36000  1.0 3.0
   48    52    61    62   7.00000 -1.0 2.0
   48    52   -61    66   7.00000 -1.0 2.0
   51    48    52    53   7.00000 -1.0 2.0
   51    48    52    61   7.00000 -1.0 2.0
   51    57   -64    43  -1.18350  1.0 1.0
   51    57   -64    43   1.45950 -1.0 2.0
   51    57    64    65   1.00000 -1.0 2.0
   57    51    59    60  -0.66100  1.0 1.0
   57    51    59    60   1.20850 -1.0 2.0
   57    51    59    60  -0.36000  1.0 3.0
   58    57    64    43   0.93700 -1.0 2.0
   58    57    64    65   0.00000  1.0 1.0
   64    43   -46    48   7.00000 -1.0 2.0
   64    43    46    72   7.00000 -1.0 2.0
   59    51    57    58   7.00000 -1.0 2.0
   59    51    57    64   7.00000 -1.0 2.0
   52    48    51    57   0.28850  1.0 1.0
   52    48    51    57   2.61350 -1.0 2.0
   52    48    51    57   0.78400  1.0 3.0
   52    48    51    59   0.50950  1.0 1.0
   52    48    51    59   0.56650 -1.0 2.0
   52    48    51    59   0.34050  1.0 3.0
   52    61    66    67   7.00000 -1.0 2.0
   52    61    66    72   7.00000 -1.0 2.0
   53    52    61    62   7.00000 -1.0 2.0
   53    52    61    66   7.00000 -1.0 2.0
   61    66   -72    46  -1.18350  1.0 1.0
   61    66   -72    46   1.45950 -1.0 2.0
   61    66    72    73   1.00000 -1.0 2.0
   62    61    66    67   7.00000 -1.0 2.0
   62    61    66    72   7.00000 -1.0 2.0
   67    66    72    46   1.50000 -1.0 2.0
   67    66    72    73  -0.11900  1.0 1.0
   67    66    72    73   0.76850 -1.0 2.0
   67    66    72    73   0.14100  1.0 3.0
   72    46    48    51  -0.18600  1.0 3.0
   72    46   -48    52  -0.18600  1.0 3.0
   68    56    63    42   3.62500 -1.0 2.0
   68    56    63    70   3.62500 -1.0 2.0
   54    47    49    50   3.62500 -1.0 2.0
   54    47    49    56   3.62500 -1.0 2.0
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    42    38    39  10.50000 -1.0 2.0
   44    63    42    38   4.00000 -1.0 2.0
   47    45    44    42   1.10000 -1.0 2.0
   49    54    47    44   4.00000 -1.0 2.0
   56    50    49    47   1.10000 -1.0 2.0
   63    68    56    49   4.00000 -1.0 2.0
   56    70    63    42   4.00000 -1.0 2.0
   63    40    70    71  10.50000 -1.0 2.0
   40    64    43    46   1.10000 -1.0 2.0
   48    72    46    43   1.10000 -1.0 2.0
   46    51    48    52   1.10000 -1.0 2.0
   48    59    51    57   1.10000 -1.0 2.0
   64    58    57    51   1.10000 -1.0 2.0
   43    57    64    65  10.50000 -1.0 2.0
   61    53    52    48   1.10000 -1.0 2.0
   52    62    61    66   1.10000 -1.0 2.0
   72    67    66    61   1.10000 -1.0 2.0
   46    66    72    73  10.50000 -1.0 2.0
END
