* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    130    219     389
    1     0 S   NP   _N1_     1    30.08709    95.81964   -16.41801
    2     1 S   H    _HN1     2     1.02817    92.78640     6.32744
    3     1 S   H    _H1_     3     1.02948   130.09590   122.50254
    4     1 S   H    _H2_     4     1.02880    23.56997   134.51713
    5     1 S   CT   _CA1     5     1.49718   101.38824  -106.92784
    6     5 S   HC   _HA1     6     1.09579   105.23708    37.73009
    7     5 S   CO3  _C1_     7     1.53767   112.54874   -82.50917
    8     7 S   O2Z  _O11     8     1.26344   115.19838   -47.80557
    9     7 S   O2Z  _O12     9     1.26285   114.89330   131.57999
   10     5 S   CT   _CB1    10     1.53111   107.44573   155.52728
   11    10 S   HC   HB11    11     1.09853   109.60296   -51.32191
   12    10 S   HC   HB12    12     1.09798   110.29048    64.97705
   13    10 S   CT   _CG1    13     1.53038   112.42657  -172.36092
   14    13 S   HC   HG11    14     1.09586   111.19618   -65.36976
   15    13 S   HC   HG12    15     1.09614   110.49752    53.75046
   16    13 S   C    _CD1    16     1.51398   110.90586   173.60377
   17    16 S   O    _OE1    17     1.22808   121.71217  -105.14027
   18    16 S   N    _N2_    18     1.38358   112.81320    74.60428
   19    18 S   H    _HN2    19     1.01571   119.11070     2.62622
   20    18 S   CT1  _CA2    20     1.46191   123.51876  -177.78036
   21    20 S   HC   _HA2    21     1.09738   109.42888    -1.50662
   22    20 S   C    _C2_    22     1.53451   108.63441  -117.25088
   23    22 S   O    _O2_    23     1.23047   122.27471  -145.04006
   24    20 S   CT   _CB2    32     1.53458   111.21665   120.35327
   25    24 S   HC   HB21    33     1.09508   109.51419    56.74496
   26    24 S   HC   HB22    34     1.09455   109.84015   175.54130
   27    22 S   N    _N3_    24     1.38522   113.54893    42.44151
   28    27 S   H    _HN3    25     1.01494   119.00886    -0.32984
   29    24 S   S    _SG2    35     1.83431   111.02450   -64.92565
   30    27 S   CT   _CA3    26     1.45415   123.19855   175.51878
   31    30 S   HC   HA31    27     1.09542   108.94808    30.01746
   32    30 S   HC   HA32    28     1.09491   107.19628   146.92841
   33    29 S   CT   _C11    36     1.86157   102.07587   168.58235
   34    33 S   OM   _O40    37     1.31962   109.13131   -64.64437
   35    30 S   CO3  _C3_    29     1.52922   113.30263   -93.28872
   36    35 S   O2Z  _O31    30     1.26388   115.47888   -44.60464
   37    35 S   O2Z  _O32    31     1.26372   114.95436   136.38586
   38    33 S   CO4  _C10    38     1.53139   106.96898    53.57300
   39    38 S   O    _O33    39     1.22931   125.40506  -104.03494
   40    33 S   CT   _C12    50     1.57004   113.51154   173.80135
   41    40 S   HC   _H3_    51     1.10518   106.20985   170.13426
   42    38 S   CA   _C9_    40     1.47814   116.38136    72.54776
   43    40 S   CM   _C14    52     1.55134   116.15021    51.21464
   44    42 S   CA   _C4_    41     1.40115   118.81062  -148.27463
   45    44 S   HA   _H4_    42     1.08682   120.50744    -0.87603
   46    43 S   CO4  _C23    53     1.50036   113.57628    89.98567
   47    46 S   O    _O36    54     1.22661   122.52781    18.57812
   48    44 S   CA   _C5_    43     1.39197   119.37905   178.08899
   49    46 S   CA   _C22    55     1.46635   118.19904  -160.52779
   50    48 S   CA   _C6_    44     1.39050   120.73452     0.13848
   51    50 S   HA   _H5_    45     1.08667   120.22731  -179.77532
   52    49 S   CA   _C17    56     1.38085   118.79745   -19.98591
   53    48 S   OH   _O42    72     1.36627   121.04783  -179.55987
   54    53 S   HO   _H10    73     0.97255   108.58624     0.57027
   55    50 S   CA   _C7_    46     1.39592   119.52443     0.35054
   56    52 S   CA   _C18    57     1.40876   120.15490  -178.96372
   57    56 S   HA   _H6_    58     1.09208   118.69925  -179.93744
   58    52 S   CO4  _C16    66     1.47132   120.14522     0.49850
   59    58 S   O    _O35    67     1.22986   118.44814  -162.92515
   60    42 S   CA   _C8_    47     1.39565   120.37302    30.51660
   61    56 S   CA   _C19    59     1.41284   123.17673    -1.05980
   62    61 S   OM   _O38    60     1.27629   122.74725  -177.91916
   63    43 S   CMA  _C15    68     1.36041   125.31306   -91.46563
   64    63 S   OM   _O39    69     1.26557   130.19917    -0.22728
   65    55 S   OH   _O41    70     1.36963   116.01170  -179.98022
   66    65 S   HO   _H9_    71     0.97457   108.64903   179.44082
   67    60 S   CO4  _C13    48     1.48122   119.65417     5.32789
   68    67 S   O    _O34    49     1.23159   118.46592   158.21642
   69    61 S   CA   _C20    61     1.41023   114.49401     1.34407
   70    69 S   HA   _H7_    62     1.09162   119.03541   179.69036
   71    49 S   CA   _C21    63     1.39516   122.42770   161.08555
   72    71 S   OH   _O37    64     1.36927   123.28373    -1.30221
   73    72 S   HO   _H8_    65     0.97433   108.64592     2.48569
  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  12   9   4  11   4   7
  12   8   4  11   2   1   5   9   4   5   2   4   5   3   2   1
   2   1   1   1   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    67    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    44    60    67    68    40    41    43    46    63  
   38    39    42    67    40    41    43  
   36    37  
   37  
    0  
   39    42    44    45    48    55    60    67    40    41    43  
   42    44    60    40  
   41    43    46    47    49    58    63    64    42    55    60    67    68  
   43    46    63    60    67    68  
   44    45    48    50    55    60    67    68    65    53  
   46    47    49    52    71    58    59    63    64    60    67    68  
   45    48    50    51    55    60    67    53    54  
   48    50    60    53  
   47    49    52    56    69    71    72    58    63    64    67  
   49    52    71    63  
   50    51    55    60    65    53    54  
   52    56    57    61    69    70    71    72    73    58    59    63  
   51    55    60    67    65    66    53    54  
   55    60    65    53  
   56    57    61    62    69    71    72    58    59    63    64  
   54    55  
    0  
   60    67    68    65    66  
   57    61    62    69    70    71    58    59    63  
   61    62    69    58  
   59    63    64    61    71  
   63    64  
   67    68    65    66  
   62    69    70    71    72  
   69    70    71  
   64    67  
    0  
   66    67  
    0  
   68  
    0  
   70    71    72    73  
   71    72  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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  -0.601200   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   64   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   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    60   469.000  1.400
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    50   469.000  1.400
   48    53   450.000  1.364
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    60   469.000  1.400
   55    65   450.000  1.364
   60    67   310.000  1.470
   67    68   570.000  1.229
   67    40   317.000  1.522
   40    41   340.000  1.090
   40    43   317.000  1.510
   43    46   320.000  1.462
   43    63   465.000  1.376
   46    47   570.000  1.229
   46    49   310.000  1.470
   49    52   469.000  1.400
   49    71   469.000  1.400
   52    56   469.000  1.400
   52    58   310.000  1.470
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   450.000  1.364
   61    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   58    59   570.000  1.229
   58    63   270.000  1.476
   63    64   745.000  1.250
   65    66   553.000  0.945
   53    54   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    67    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    60    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    44    45    35.00000  120.00000
   42    44    48    63.00000  120.00000
   42    60    55    63.00000  120.00000
   42    60    67    60.00000  119.52600
   44    48    50    63.00000  120.00000
   44    48    53    70.00000  120.00000
   48    44    45    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    55    63.00000  120.00000
   48    53    54    35.00000  113.00000
   50    55    60    63.00000  120.00000
   50    55    65    70.00000  120.00000
   55    50    51    35.00000  120.00000
   55    60    67    60.00000  119.52600
   55    65    66    35.00000  113.00000
   60    42    44    63.00000  120.00000
   60    67    68    75.00000  123.78400
   60    67    40    65.00000  115.47100
   67    40    41    35.00000  109.50000
   67    40    43    70.00000  109.06800
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    67    68    80.00000  120.40000
   40    43    46    65.00000  116.34900
   40    43    63    70.00000  124.00000
   43    40    41    35.00000  109.50000
   43    46    47    80.00000  123.72100
   43    46    49    65.00000  117.02400
   43    63    58    65.00000  114.61000
   43    63    64    65.00000  137.10300
   46    49    52    60.00000  119.52600
   46    49    71    60.00000  119.52600
   49    46    47    75.00000  123.78400
   49    52    56    63.00000  120.00000
   49    52    58    60.00000  119.52600
   49    71    69    63.00000  120.00000
   49    71    72    70.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    61    63.00000  120.00000
   52    58    59    75.00000  123.78400
   52    58    63    60.00000  117.44000
   56    61    62    70.00000  120.00000
   56    61    69    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    69    70    35.00000  120.00000
   61    69    71    63.00000  120.00000
   69    61    62    70.00000  120.00000
   69    71    72    70.00000  120.00000
   71    49    52    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  113.00000
   58    52    56    60.00000  119.52600
   58    63    64    85.00000  116.28000
   63    43    46    60.00000  125.92000
   63    58    59    80.00000  120.81000
   65    55    60    70.00000  120.00000
   53    48    50    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    67   0.56750  1.0 1.0
   29    33    40    67  -0.07550 -1.0 2.0
   29    33    40    67   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    60   2.26350  1.0 1.0
   33    38    42    60   0.76750 -1.0 2.0
   33    38    42    60   0.22500  1.0 3.0
   33    40    43    46   0.09700  1.0 1.0
   33    40    43    46   0.15600 -1.0 2.0
   33    40    43    46  -0.50800  1.0 3.0
   33    40    43    63   0.09850  1.0 1.0
   33    40    43    63   0.15250 -1.0 2.0
   33    40    43    63  -0.50650  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    67  -0.09450  1.0 1.0
   34    33    40    67  -1.12950 -1.0 2.0
   34    33    40    67   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    67   0.11950  1.0 1.0
   38    33    40    67   0.20300 -1.0 2.0
   38    33    40    67  -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    48   3.62500 -1.0 2.0
   38    42    60    55   3.62500 -1.0 2.0
   38    42   -60    67   3.62500 -1.0 2.0
   39    38    42    44   1.05000 -1.0 2.0
   39    38    42    60   1.05000 -1.0 2.0
   42    44    48    50   3.62500 -1.0 2.0
   42    44    48    53   3.62500 -1.0 2.0
   42    60    67    68   1.05000 -1.0 2.0
   42    60    67    40   2.26350  1.0 1.0
   42    60    67    40   0.76750 -1.0 2.0
   42    60    67    40   0.22500  1.0 3.0
   44    42    60    55   3.62500 -1.0 2.0
   44    42    60    67   3.62500 -1.0 2.0
   44    48    50    51   3.62500 -1.0 2.0
   44    48   -50    55   3.62500 -1.0 2.0
   44    48    53    54   0.84100 -1.0 2.0
   45    44    48    50   3.62500 -1.0 2.0
   45    44    48    53   3.62500 -1.0 2.0
   48    50    55    60   3.62500 -1.0 2.0
   48    50    55    65   3.62500 -1.0 2.0
   50    48    53    54   0.84100 -1.0 2.0
   50    55   -60    42   3.62500 -1.0 2.0
   50    55    60    67   3.62500 -1.0 2.0
   50    55    65    66   0.84100 -1.0 2.0
   51    50    55    60   3.62500 -1.0 2.0
   51    50    55    65   3.62500 -1.0 2.0
   55    60    67    68   1.05000 -1.0 2.0
   55    60    67    40   2.26350  1.0 1.0
   55    60    67    40   0.76750 -1.0 2.0
   55    60    67    40   0.22500  1.0 3.0
   60    42    44    45   3.62500 -1.0 2.0
   60    42   -44    48   3.62500 -1.0 2.0
   60    55    65    66   0.84100 -1.0 2.0
   60    67   -40    33   0.05850 -1.0 2.0
   60    67   -40    33   0.17250  1.0 3.0
   60    67    40    41   0.00000  1.0 1.0
   60    67    40    43   0.65300  1.0 1.0
   60    67    40    43  -0.03850 -1.0 2.0
   60    67    40    43   0.33900  1.0 3.0
   67    40    43    46   0.09700  1.0 1.0
   67    40    43    46   0.15600 -1.0 2.0
   67    40    43    46  -0.50800  1.0 3.0
   67    40    43    63  -0.51250  1.0 1.0
   67    40    43    63  -0.88800 -1.0 2.0
   67    40    43    63   0.08850  1.0 3.0
   68    67    40    33   0.30150 -1.0 2.0
   68    67    40    41   0.00000  1.0 1.0
   68    67    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    47  -0.64400  1.0 1.0
   40    43    46    47   0.26850 -1.0 2.0
   40    43    46    49   1.50000 -1.0 2.0
   40    43    63    58   7.00000 -1.0 2.0
   40    43    63    64   7.00000 -1.0 2.0
   41    40    43    46   0.15000  1.0 3.0
   41    40    43    63   0.00000  1.0 1.0
   43    46    49    52  -0.11500  1.0 1.0
   43    46    49    52   1.10450 -1.0 2.0
   43    46    49    52  -0.48050  1.0 3.0
   43    46    49    71  -0.11500  1.0 1.0
   43    46    49    71   1.10450 -1.0 2.0
   43    46    49    71  -0.48050  1.0 3.0
   46    43    63    58   7.00000 -1.0 2.0
   46    43    63    64   7.00000 -1.0 2.0
   46    49    52    56   3.62500 -1.0 2.0
   46    49   -52    58   3.62500 -1.0 2.0
   46    49    71    69   3.62500 -1.0 2.0
   46    49    71    72   3.62500 -1.0 2.0
   47    46    49    52   1.05000 -1.0 2.0
   47    46    49    71   1.05000 -1.0 2.0
   49    52    56    57   3.62500 -1.0 2.0
   49    52    56    61   3.62500 -1.0 2.0
   49    52    58    59   1.05000 -1.0 2.0
   49    52    58    63  -0.11500  1.0 1.0
   49    52    58    63   1.10450 -1.0 2.0
   49    52    58    63  -0.48050  1.0 3.0
   49    71    72    73   0.84100 -1.0 2.0
   52    49    71    69   3.62500 -1.0 2.0
   52    49    71    72   3.62500 -1.0 2.0
   52    56    61    62   3.62500 -1.0 2.0
   52    56   -61    69   3.62500 -1.0 2.0
   52    58   -63    43  -1.65800  1.0 1.0
   52    58   -63    43   0.77650 -1.0 2.0
   52    58    63    64   1.50000 -1.0 2.0
   56    52    58    59   1.05000 -1.0 2.0
   56    52    58    63  -0.11500  1.0 1.0
   56    52    58    63   1.10450 -1.0 2.0
   56    52    58    63  -0.48050  1.0 3.0
   56    61    69    70   3.62500 -1.0 2.0
   56    61    69    71   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    69   3.62500 -1.0 2.0
   61    69   -71    49   3.62500 -1.0 2.0
   61    69    71    72   3.62500 -1.0 2.0
   62    61    69    70   3.62500 -1.0 2.0
   62    61    69    71   3.62500 -1.0 2.0
   69    71    72    73   0.84100 -1.0 2.0
   70    69    71    49   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    49   -52    56   3.62500 -1.0 2.0
   71    49    52    58   3.62500 -1.0 2.0
   58    52    56    57   3.62500 -1.0 2.0
   58    52    56    61   3.62500 -1.0 2.0
   59    58    63    43   1.00000 -1.0 2.0
   59    58    63    64  -0.11900  1.0 1.0
   59    58    63    64   0.76850 -1.0 2.0
   59    58    63    64   0.14100  1.0 3.0
   63    43    46    47   1.00000 -1.0 2.0
   63    43   -46    49  -1.65800  1.0 1.0
   63    43   -46    49   0.77650 -1.0 2.0
   65    55    60    42   3.62500 -1.0 2.0
   65    55    60    67   3.62500 -1.0 2.0
   53    48    50    51   3.62500 -1.0 2.0
   53    48    50    55   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    60    42    38   4.00000 -1.0 2.0
   48    45    44    42   1.10000 -1.0 2.0
   50    53    48    44   4.00000 -1.0 2.0
   55    51    50    48   1.10000 -1.0 2.0
   60    65    55    50   4.00000 -1.0 2.0
   55    67    60    42   4.00000 -1.0 2.0
   60    40    67    68  10.50000 -1.0 2.0
   40    46    43    63   1.10000 -1.0 2.0
   43    49    46    47  10.50000 -1.0 2.0
   52    71    49    46   4.00000 -1.0 2.0
   56    58    52    49   4.00000 -1.0 2.0
   61    57    56    52   1.10000 -1.0 2.0
   69    62    61    56   4.00000 -1.0 2.0
   71    70    69    61   1.10000 -1.0 2.0
   69    72    71    49   4.00000 -1.0 2.0
   52    63    58    59  10.50000 -1.0 2.0
   58    64    63    43   1.10000 -1.0 2.0
END
