* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    131    219     391
    1     0 S   NP   _N1_     1    31.32317    96.52779   -14.89340
    2     1 S   H    _HN1     2     1.03072   152.52774   129.61632
    3     1 S   H    _H1_     3     1.02835    45.16425   123.99922
    4     1 S   H    _H2_     4     1.03219    87.35156     7.01669
    5     1 S   CT   _CA1     5     1.49606    83.31498  -105.83313
    6     5 S   HC   _HA1     6     1.09572   105.37123    26.89982
    7     5 S   CO3  _C1_     7     1.53764   112.53873   -93.46804
    8     7 S   O2Z  _O11     8     1.26336   115.31329   -51.17213
    9     7 S   O2Z  _O12     9     1.26298   114.84781   128.24873
   10     5 S   CT   _CB1    10     1.52880   107.04564   144.65456
   11    10 S   HC   HB11    11     1.09867   109.50339   -52.30914
   12    10 S   HC   HB12    12     1.09807   110.04145    63.63280
   13    10 S   CT   _CG1    13     1.53068   112.94598  -173.52555
   14    13 S   HC   HG11    14     1.09565   111.38031   -63.81648
   15    13 S   HC   HG12    15     1.09580   110.63804    55.78625
   16    13 S   C    _CD1    16     1.51363   109.96571   175.52771
   17    16 S   O    _OE1    17     1.22785   121.88436  -105.70807
   18    16 S   N    _N2_    18     1.38395   112.54163    72.79189
   19    18 S   H    _HN2    19     1.01597   119.05818     5.04803
   20    18 S   CT1  _CA2    20     1.46063   123.46640  -172.43914
   21    20 S   HC   _HA2    21     1.09719   109.46405   -10.44890
   22    20 S   C    _C2_    22     1.53321   108.61526  -126.53573
   23    22 S   O    _O2_    23     1.23021   122.24235  -146.05665
   24    20 S   CT   _CB2    32     1.53466   110.79443   111.28755
   25    24 S   HC   HB21    33     1.09530   109.70457    57.05480
   26    24 S   HC   HB22    34     1.09517   110.51655   175.76044
   27    22 S   N    _N3_    24     1.38517   113.40865    41.40915
   28    27 S   H    _HN3    25     1.01526   118.92312    -0.62181
   29    24 S   S    _SG2    35     1.82937   111.73933   -64.51558
   30    27 S   CT   _CA3    26     1.45424   123.27845   175.30168
   31    30 S   HC   HA31    27     1.09539   108.98447    28.77256
   32    30 S   HC   HA32    28     1.09490   107.17327   145.71714
   33    29 S   CT   _C22    36     1.84588    99.33440   165.32193
   34    33 S   HC   _H4_    37     1.09926   107.22493    38.48325
   35    30 S   CO3  _C3_    29     1.52937   113.34506   -94.54389
   36    35 S   O2Z  _O31    30     1.26384   115.51619   -42.62779
   37    35 S   O2Z  _O32    31     1.26375   114.91420   138.35203
   38    33 S   CO4  _C23    38     1.51661   105.59108   152.03380
   39    38 S   O    _O36    39     1.23116   120.36082   -82.22209
   40    38 S   CA   _C18    40     1.49121   119.51311    95.35676
   41    40 S   CA   _C19    41     1.40990   120.96104     4.25335
   42    41 S   CA   _C14    42     1.42019   119.72881   179.59895
   43    41 S   CO4  _C20    70     1.50202   119.14493     1.00794
   44    43 S   O    _O35    71     1.23071   121.17131  -161.41721
   45    42 S   CA   _C15    43     1.40782   119.03755     0.10835
   46    42 S   CM   _C12    51     1.49241   123.37929  -176.96701
   47    33 S   CT   _C21    72     1.53578   112.12701   -82.94333
   48    47 S   OM   _O37    73     1.32363   109.56015   168.89058
   49    47 S   HC   _H3_    74     1.09997   107.10328    38.94609
   50    45 S   CA   _C16    44     1.38949   121.24501     0.62244
   51    50 S   HA   _H7_    45     1.08664   120.70946   179.86294
   52    45 S   OH   _O39    49     1.37237   119.61464  -178.48988
   53    52 S   HO   _H9_    50     0.97187   108.95513  -178.33024
   54    46 S   CO4  _C13    52     1.49148   116.29757    84.75395
   55    54 S   O    _O34    53     1.22748   121.12517    -1.01491
   56    40 S   CA   _C17    46     1.40757   119.66726  -175.48903
   57    54 S   CA   _C8_    54     1.46911   118.72329   178.36841
   58    56 S   OH   _O38    47     1.37088   123.84467     0.13988
   59    58 S   HO   _H8_    48     0.97364   108.92888    -0.56336
   60    57 S   CA   _C9_    55     1.39150   119.12204     1.33149
   61    60 S   CA   _C4_    56     1.40490   120.00798  -179.80617
   62    61 S   HA   _H5_    57     1.08712   120.65561   179.97202
   63    60 S   CO4  _C10    66     1.47545   121.27234     0.70969
   64    63 S   O    _O33    67     1.23137   118.10751   175.75988
   65    61 S   CA   _C5_    58     1.39273   119.92255     0.03956
   66    46 S   CMA  _C11    68     1.35567   119.57472   -96.02428
   67    66 S   OM   _O40    69     1.26754   129.88572     0.82992
   68    65 S   CA   _C6_    59     1.38819   120.63806    -0.10468
   69    68 S   HA   _H6_    60     1.08660   120.30641  -179.91153
   70    65 S   OH   _O42    64     1.36600   121.12655   179.93744
   71    70 S   HO   _H11    65     0.97248   108.68937    -0.02798
   72    57 S   CA   _C7_    61     1.40620   121.61515  -178.58004
   73    72 S   OH   _O41    62     1.36977   123.44123    -0.25488
   74    73 S   HO   _H10    63     0.97420   108.81254    -1.38762
  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
  11   7   2   1   1  11   4  12  14  16   7   3   9  11   2   1
   1   6   3   2   1  10   4   2  12   1   1  11  10   4   5   2
   6   1   1   6   3   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    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    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    56    43    44    47    48    49  
   38    39    40    43    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    50    56    58    43    47    48    49  
   40    41    56    47  
   41    42    45    50    51    56    58    59    46    43    44    47  
   42    45    50    56    58    52    46    54    66    43    44    47    48    49  
   45    50    51    56    52    53    46    54    55    57    63    66    67    43    44    47  
   44    47    48    49    45    46    56  
   47    48    49  
   50    51    56    58    52    53    46    54    66  
   54    55    57    60    72    63    64    66    67    50    52  
   48    49  
   49  
    0  
   51    56    58    59    52    53  
   56    58    52  
   53    56  
    0  
   55    57    60    61    68    72    73    63    66    67  
   57    60    72    66  
   58    59  
   60    61    62    65    68    69    72    73    74    63    64    66  
   59  
    0  
   61    62    65    68    72    73    70    63    64    66    67  
   62    65    68    69    72    70    71    63    64    66  
   65    68    70    63  
   64    66    67    65    72  
   66    67  
   68    69    72    73    70    71  
   67  
    0  
   69    72    73    74    70    71  
   72    73    70  
   71    72  
    0  
   73    74  
   74  
    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   1.3810   1.2100   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   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   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   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    56   469.000  1.400
   41    42   469.000  1.400
   41    43   310.000  1.470
   42    45   469.000  1.400
   42    46   320.000  1.460
   45    50   469.000  1.400
   45    52   450.000  1.364
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    58   450.000  1.364
   58    59   553.000  0.945
   52    53   553.000  0.945
   46    54   320.000  1.462
   46    66   465.000  1.376
   54    55   570.000  1.229
   54    57   310.000  1.470
   57    60   469.000  1.400
   57    72   469.000  1.400
   60    61   469.000  1.400
   60    63   310.000  1.470
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    68   469.000  1.400
   65    70   450.000  1.364
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   450.000  1.364
   73    74   553.000  0.945
   70    71   553.000  0.945
   63    64   570.000  1.229
   63    66   270.000  1.476
   66    67   745.000  1.250
   43    44   570.000  1.229
   43    47   317.000  1.522
   47    48   570.000  1.307
   47    49   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  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    47    43    63.00000  111.10000
   33    47    48    50.00000  109.50000
   33    47    49    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    56    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  119.52600
   40    56    50    63.00000  120.00000
   40    56    58    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    46    60.00000  118.70000
   41    43    44    75.00000  123.78400
   41    43    47    65.00000  115.47100
   42    45    50    63.00000  120.00000
   42    45    52    70.00000  120.00000
   42    46    54    60.00000  124.00000
   42    46    66    60.00000  123.66000
   45    50    51    35.00000  120.00000
   45    50    56    63.00000  120.00000
   45    52    53    35.00000  113.00000
   50    56    58    70.00000  120.00000
   56    40    41    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    58    59    35.00000  113.00000
   52    45    50    70.00000  120.00000
   46    42    45    60.00000  118.70000
   46    54    55    80.00000  123.72100
   46    54    57    65.00000  117.02400
   46    66    63    65.00000  114.61000
   46    66    67    65.00000  137.10300
   54    57    60    60.00000  119.52600
   54    57    72    60.00000  119.52600
   57    54    55    75.00000  123.78400
   57    60    61    63.00000  120.00000
   57    60    63    60.00000  119.52600
   57    72    68    63.00000  120.00000
   57    72    73    70.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    75.00000  123.78400
   60    63    66    60.00000  117.44000
   61    65    68    63.00000  120.00000
   61    65    70    70.00000  120.00000
   65    61    62    35.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    72    63.00000  120.00000
   65    70    71    35.00000  113.00000
   68    72    73    70.00000  120.00000
   72    57    60    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    73    74    35.00000  113.00000
   70    65    68    70.00000  120.00000
   63    60    61    60.00000  119.52600
   63    66    67    85.00000  116.28000
   66    46    54    60.00000  125.92000
   66    63    64    80.00000  120.81000
   43    41    42    60.00000  119.52600
   43    47    48    90.00000  108.74100
   43    47    49    35.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    43    44    80.00000  120.40000
   49    47    48    45.00000  125.66300
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   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    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   0.56750  1.0 1.0
   29    33    47    43  -0.07550 -1.0 2.0
   29    33    47    43   0.20000  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.15000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    56   2.26350  1.0 1.0
   33    38    40    56   0.76750 -1.0 2.0
   33    38    40    56   0.22500  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    43  -0.11250  1.0 3.0
   34    33    47    48   0.23400  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    43   0.11950  1.0 1.0
   38    33    47    43   0.20300 -1.0 2.0
   38    33    47    43  -0.70800  1.0 3.0
   38    33    47    48  -0.09450  1.0 1.0
   38    33    47    48  -1.12950 -1.0 2.0
   38    33    47    48   0.54000  1.0 3.0
   38    33    47    49  -0.11250  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    56    50   3.62500 -1.0 2.0
   38    40    56    58   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    56   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    43    44   1.05000 -1.0 2.0
   40    41    43    47   2.26350  1.0 1.0
   40    41    43    47   0.76750 -1.0 2.0
   40    41    43    47   0.22500  1.0 3.0
   40    56    58    59   0.84100 -1.0 2.0
   41    40    56    50   3.62500 -1.0 2.0
   41    40    56    58   3.62500 -1.0 2.0
   41    42   -45    50   3.62500 -1.0 2.0
   41    42    45    52   3.62500 -1.0 2.0
   41    42    46    54  -0.01750  1.0 1.0
   41    42    46    54  -0.32000 -1.0 2.0
   41    42    46    54   0.00600  1.0 3.0
   41    42    46    66   0.15800  1.0 1.0
   41    42    46    66   1.85350 -1.0 2.0
   41    42    46    66  -0.48700  1.0 3.0
   41    43   -47    33   0.05850 -1.0 2.0
   41    43   -47    33   0.17250  1.0 3.0
   41    43    47    48   0.65300  1.0 1.0
   41    43    47    48  -0.03850 -1.0 2.0
   41    43    47    48   0.33900  1.0 3.0
   41    43    47    49   0.00000  1.0 1.0
   42    41    43    44   1.05000 -1.0 2.0
   42    41    43    47   2.26350  1.0 1.0
   42    41    43    47   0.76750 -1.0 2.0
   42    41    43    47   0.22500  1.0 3.0
   42    45    50    51   3.62500 -1.0 2.0
   42    45    50    56   3.62500 -1.0 2.0
   42    45    52    53   0.84100 -1.0 2.0
   42    46    54    55  -0.52200  1.0 1.0
   42    46    54    55   0.82950 -1.0 2.0
   42    46    54    57   1.50000 -1.0 2.0
   42    46    66    63   7.00000 -1.0 2.0
   42    46    66    67   7.00000 -1.0 2.0
   45    42    46    54  -0.01750  1.0 1.0
   45    42    46    54  -0.32000 -1.0 2.0
   45    42    46    54   0.00600  1.0 3.0
   45    42    46    66   0.15800  1.0 1.0
   45    42    46    66   1.85350 -1.0 2.0
   45    42    46    66  -0.48700  1.0 3.0
   45    50   -56    40   3.62500 -1.0 2.0
   45    50    56    58   3.62500 -1.0 2.0
   50    45    52    53   0.84100 -1.0 2.0
   50    56    58    59   0.84100 -1.0 2.0
   51    50    56    40   3.62500 -1.0 2.0
   51    50    56    58   3.62500 -1.0 2.0
   56    40   -41    42   3.62500 -1.0 2.0
   56    40    41    43   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    45    50    56   3.62500 -1.0 2.0
   46    42    45    50   3.62500 -1.0 2.0
   46    42    45    52   3.62500 -1.0 2.0
   46    54    57    60  -0.11500  1.0 1.0
   46    54    57    60   1.10450 -1.0 2.0
   46    54    57    60  -0.48050  1.0 3.0
   46    54    57    72  -0.11500  1.0 1.0
   46    54    57    72   1.10450 -1.0 2.0
   46    54    57    72  -0.48050  1.0 3.0
   54    46    66    63   7.00000 -1.0 2.0
   54    46    66    67   7.00000 -1.0 2.0
   54    57    60    61   3.62500 -1.0 2.0
   54    57   -60    63   3.62500 -1.0 2.0
   54    57    72    68   3.62500 -1.0 2.0
   54    57    72    73   3.62500 -1.0 2.0
   55    54    57    60   1.05000 -1.0 2.0
   55    54    57    72   1.05000 -1.0 2.0
   57    60    61    62   3.62500 -1.0 2.0
   57    60    61    65   3.62500 -1.0 2.0
   57    60    63    64   1.05000 -1.0 2.0
   57    60    63    66  -0.11500  1.0 1.0
   57    60    63    66   1.10450 -1.0 2.0
   57    60    63    66  -0.48050  1.0 3.0
   57    72    73    74   0.84100 -1.0 2.0
   60    57    72    68   3.62500 -1.0 2.0
   60    57    72    73   3.62500 -1.0 2.0
   60    61   -65    68   3.62500 -1.0 2.0
   60    61    65    70   3.62500 -1.0 2.0
   60    63   -66    46  -1.65800  1.0 1.0
   60    63   -66    46   0.77650 -1.0 2.0
   60    63    66    67   1.50000 -1.0 2.0
   61    60    63    64   1.05000 -1.0 2.0
   61    60    63    66  -0.11500  1.0 1.0
   61    60    63    66   1.10450 -1.0 2.0
   61    60    63    66  -0.48050  1.0 3.0
   61    65    68    69   3.62500 -1.0 2.0
   61    65    68    72   3.62500 -1.0 2.0
   61    65    70    71   0.84100 -1.0 2.0
   62    61    65    68   3.62500 -1.0 2.0
   62    61    65    70   3.62500 -1.0 2.0
   65    68   -72    57   3.62500 -1.0 2.0
   65    68    72    73   3.62500 -1.0 2.0
   68    65    70    71   0.84100 -1.0 2.0
   68    72    73    74   0.84100 -1.0 2.0
   69    68    72    57   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   72    57   -60    61   3.62500 -1.0 2.0
   72    57    60    63   3.62500 -1.0 2.0
   70    65    68    69   3.62500 -1.0 2.0
   70    65    68    72   3.62500 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -1.0 2.0
   64    63    66    46   1.00000 -1.0 2.0
   64    63    66    67  -0.11900  1.0 1.0
   64    63    66    67   0.76850 -1.0 2.0
   64    63    66    67   0.14100  1.0 3.0
   66    46    54    55   1.00000 -1.0 2.0
   66    46   -54    57  -1.65800  1.0 1.0
   66    46   -54    57   0.77650 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    46   3.62500 -1.0 2.0
   44    43    47    33   0.30150 -1.0 2.0
   44    43    47    48   0.30150 -1.0 2.0
   44    43    47    49   0.00000  1.0 1.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.05850 -1.0 2.0
   47    33   -38    40   0.17250  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
   41    56    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    46    42    41   4.00000 -1.0 2.0
   50    52    45    42   4.00000 -1.0 2.0
   56    51    50    45   1.10000 -1.0 2.0
   50    58    56    40   4.00000 -1.0 2.0
   42    54    46    66   1.10000 -1.0 2.0
   46    57    54    55  10.50000 -1.0 2.0
   60    72    57    54   4.00000 -1.0 2.0
   61    63    60    57   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   68    70    65    61   4.00000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
   68    73    72    57   4.00000 -1.0 2.0
   60    66    63    64  10.50000 -1.0 2.0
   63    67    66    46   1.10000 -1.0 2.0
   41    47    43    44  10.50000 -1.0 2.0
END
