* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    128    203     380
    1     0 S   NP   _N1_     1    28.17651    98.02807   -24.19414
    2     1 S   H    _HN1     2     1.02835    40.73136   164.80970
    3     1 S   H    _H1_     3     1.02777   111.43243  -102.32014
    4     1 S   H    _H2_     4     1.02958    67.48891    -0.58450
    5     1 S   CT   _CA1     5     1.50153   134.08794    96.48551
    6     5 S   HC   _HA1     6     1.09578   105.18109    99.58408
    7     5 S   CO3  _C1_     7     1.53753   112.35461   -20.52622
    8     7 S   O2Z  _O11     8     1.26362   114.97808   -43.71274
    9     7 S   O2Z  _O12     9     1.26231   114.91809   135.24641
   10     5 S   CT   _CB1    10     1.53086   107.40211  -142.57048
   11    10 S   HC   HB11    11     1.09832   109.21273   -50.71740
   12    10 S   HC   HB12    12     1.09813   110.47016    65.79471
   13    10 S   CT   _CG1    13     1.53044   112.74338  -171.80202
   14    13 S   HC   HG11    14     1.09592   110.52012   -66.38355
   15    13 S   HC   HG12    15     1.09662   109.88168    52.83234
   16    13 S   C    _CD1    16     1.51864   112.24326   173.11231
   17    16 S   O    _OE1    17     1.22770   123.25711     2.67591
   18    16 S   N    _N2_    18     1.38581   111.81280  -177.16503
   19    18 S   H    _HN2    19     1.01565   119.05941     3.48212
   20    18 S   CT1  _CA2    20     1.45796   122.73680   176.76790
   21    20 S   HC   _HA2    21     1.09738   108.87707    25.75692
   22    20 S   C    _C2_    22     1.52973   107.08720   -91.16713
   23    22 S   O    _O2_    23     1.22968   123.10652   -26.51130
   24    20 S   CT   _CB2    32     1.53150   112.37961   149.03184
   25    24 S   HC   HB21    33     1.09598   110.36659    52.81988
   26    24 S   HC   HB22    34     1.09466   109.86943   171.75181
   27    22 S   N    _N3_    24     1.38511   112.48873   156.21265
   28    27 S   H    _HN3    25     1.01656   120.34351    -2.17619
   29    24 S   S    _SG2    35     1.82615   111.20460   -68.04516
   30    27 S   CT   _CA3    26     1.45348   122.55796   178.45858
   31    30 S   HC   HA31    27     1.09566   107.81798   -55.62885
   32    30 S   HC   HA32    28     1.09561   107.61652    60.73007
   33    29 S   CT   _C15    36     1.84269    99.46892   177.18798
   34    33 S   HC   _H4_    37     1.09594   104.80980   -52.86842
   35    30 S   CO3  _C3_    29     1.52906   114.26083  -177.51974
   36    35 S   O2Z  _O31    30     1.26344   116.04118    -0.10087
   37    35 S   O2Z  _O32    31     1.26433   114.41676   179.87967
   38    33 S   CA   _C16    38     1.52005   112.78544    65.55445
   39    33 S   CM   _C14    51     1.51320   108.53545  -170.05278
   40    39 S   HC   _H11    52     1.09102   115.77649   -57.48400
   41    38 S   CA   _C17    39     1.40625   122.03768    57.40207
   42    41 S   HA   _H12    40     1.08765   120.44280    -0.09691
   43    39 S   CMA  _C13    53     1.35484   126.55639   122.61497
   44    43 S   OM   _O38    54     1.26718   126.45154     1.83654
   45    41 S   CA   _C18    41     1.39691   120.87592   179.91377
   46    45 S   HA   _H13    42     1.08613   119.30673   179.74359
   47    43 S   OS   _O35    55     1.41639   110.63968   178.27297
   48    45 S   CA   _C19    43     1.39261   119.72213    -0.36316
   49    47 S   CT   _C11    56     1.43971   113.10211   110.98267
   50    49 S   HC   _H3_    57     1.09845   112.50721    22.85403
   51    48 S   CA   _C20    44     1.39170   120.13524    -0.19281
   52    48 S   OH   _O37    49     1.36715   120.47647   179.97202
   53    52 S   HO   _H16    50     0.97200   108.67436    -0.17694
   54    49 S   CO3  _C12    58     1.53928   107.81999   -98.71522
   55    54 S   O2Z  _O34    59     1.26463   116.12811   -55.57534
   56    54 S   O2Z  _O33    60     1.26507   114.74174   125.05714
   57    49 S   CT   _C10    61     1.53287   108.63226   145.42280
   58    57 S   HC   _H9_    62     1.09806   110.72662   159.46642
   59    57 S   HC   _H10    63     1.09832   110.83318    41.92352
   60    38 S   CA   _C21    45     1.40518   119.38580  -123.52595
   61    60 S   HA   _H14    46     1.08748   119.73834     0.10468
   62    51 S   OH   _O36    47     1.36764   119.30320  -179.67797
   63    62 S   HO   _H15    48     0.97209   108.67238   178.83736
   64    57 S   CA   _C9_    64     1.51163   111.94180   -79.26901
   65    64 S   CA   _C4_    65     1.40225   120.35809   -90.84537
   66    65 S   HA   _H5_    66     1.08716   120.26817    -0.56993
   67    65 S   CA   _C5_    67     1.39545   120.45785   179.18627
   68    67 S   HA   _H6_    68     1.08605   119.85852   179.97202
   69    67 S   CA   _C6_    69     1.39170   119.60893    -0.30901
   70    69 S   CA   _C7_    70     1.39273   120.77988    -0.03956
   71    70 S   HA   _H7_    71     1.08578   121.06088  -179.58410
   72    69 S   OH   _O39    74     1.36654   118.19631  -179.88636
   73    72 S   HO   _H17    75     0.97234   108.43529   178.86840
   74    64 S   CA   _C8_    72     1.40228   120.50968    87.75650
   75    74 S   HA   _H8_    73     1.08739   120.16774     0.37430
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   7   3   8   4   6   2   7   3   9   7
  10   7   6   3   1   6   2   1   9   4   3   3   1   1   1   9
   8   4   7   3   6   5   3   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    60    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    60    61    39    40    43    44    47  
   38    41    60    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    60    61    62    39    40    43  
   40    43    44    47    49    41    60  
   43    44    47  
   42    45    46    48    51    60    61    52  
   45    46    48    60  
   44    47    49    50    54    57  
   47    49  
   46    48    51    60    62    52    53  
   48    51    52  
   49    50    54    55    56    57    58    59    64  
   51    60    61    62    63    52    53  
   50    54    55    56    57    58    59    64    65    74  
   54    55    56    57    58    59    64  
   60    61    62    63    52    53  
   53    60    62  
    0  
   55    56    57    58    59    64  
   56    57  
   57  
   58    59    64    65    66    67    70    74    75  
   59    64    65    74  
   64    65    74  
   61    62    63  
   62  
   63  
    0  
   65    66    67    68    69    70    71    74    75  
   66    67    68    69    70    74    75    72  
   67    68    69    74  
   68    69    70    71    74    72    73  
   69    70    72  
   70    71    74    75    72    73  
   71    74    75    72    73  
   74    75    72  
   73    74  
    0  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    60   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    60   469.000  1.400
   51    62   450.000  1.364
   60    61   367.000  1.080
   62    63   553.000  0.945
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    54   317.000  1.522
   49    57   268.000  1.529
   54    55   656.000  1.250
   54    56   656.000  1.250
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   317.000  1.510
   64    65   469.000  1.400
   64    74   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   469.000  1.400
   69    72   450.000  1.364
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    75   367.000  1.080
   72    73   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    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    60    51    63.00000  120.00000
   38    60    61    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    60    63.00000  120.00000
   48    51    62    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    60    61    35.00000  120.00000
   51    62    63    35.00000  113.00000
   60    38    41    63.00000  120.00000
   62    51    60    70.00000  120.00000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    54    85.00000  109.63000
   47    49    57    50.00000  109.50000
   49    54    55    70.00000  117.00000
   49    54    56    70.00000  117.00000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    64    70.00000  112.17500
   54    49    50    35.00000  109.50000
   56    54    55    80.00000  126.00000
   57    49    50    37.50000  110.70000
   57    49    54    70.00000  109.69300
   57    64    65    70.00000  120.00000
   57    64    74    70.00000  120.00000
   59    57    58    33.00000  107.80000
   64    57    58    35.00000  109.50000
   64    57    59    35.00000  109.50000
   64    65    66    35.00000  120.00000
   64    65    67    63.00000  120.00000
   64    74    70    63.00000  120.00000
   64    74    75    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    63.00000  120.00000
   67    69    72    70.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    71    35.00000  120.00000
   69    70    74    63.00000  120.00000
   69    72    73    35.00000  113.00000
   70    74    75    35.00000  120.00000
   74    64    65    63.00000  120.00000
   74    70    71    35.00000  120.00000
   72    69    70    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   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    60    51   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    60    51   3.62500 -1.0 2.0
   41    38    60    61   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    60   3.62500 -1.0 2.0
   45    48    51    62   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -60    38   3.62500 -1.0 2.0
   48    51    60    61   3.62500 -1.0 2.0
   48    51    62    63   0.84100 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   60    38    41    42   3.62500 -1.0 2.0
   60    38   -41    45   3.62500 -1.0 2.0
   60    51    62    63   0.84100 -1.0 2.0
   62    51    60    38   3.62500 -1.0 2.0
   62    51    60    61   3.62500 -1.0 2.0
   52    48    51    60   3.62500 -1.0 2.0
   52    48    51    62   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    60   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.48150  1.0 1.0
   43    47    49    54   0.09250 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    57  -0.46850  1.0 1.0
   43    47    49    57   0.09300 -1.0 2.0
   43    47    49    57  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.30150 -1.0 2.0
   47    49    54    56   0.30150 -1.0 2.0
   47    49    57    58   0.23400  1.0 3.0
   47    49    57    59   0.23400  1.0 3.0
   47    49    57    64  -0.64350  1.0 1.0
   47    49    57    64  -0.04200 -1.0 2.0
   47    49    57    64   0.19800  1.0 3.0
   49    57    64    65   0.04150 -1.0 2.0
   49    57    64    74   0.04150 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    64   0.43200  1.0 3.0
   54    49    57    58  -0.11250  1.0 3.0
   54    49    57    59  -0.11250  1.0 3.0
   54    49    57    64  -2.95950  1.0 1.0
   54    49    57    64   0.02300  1.0 3.0
   57    49    54    55   0.41150 -1.0 2.0
   57    49    54    56   0.41150 -1.0 2.0
   57    64    65    66   3.62500 -1.0 2.0
   57    64    65    67   3.62500 -1.0 2.0
   57    64    74    70   3.62500 -1.0 2.0
   57    64    74    75   3.62500 -1.0 2.0
   58    57    64    65   0.00000  1.0 1.0
   58    57    64    74   0.00000  1.0 1.0
   59    57    64    65   0.00000  1.0 1.0
   59    57    64    74   0.00000  1.0 1.0
   64    65    67    68   3.62500 -1.0 2.0
   64    65    67    69   3.62500 -1.0 2.0
   65    64    74    70   3.62500 -1.0 2.0
   65    64    74    75   3.62500 -1.0 2.0
   65    67   -69    70   3.62500 -1.0 2.0
   65    67    69    72   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    70    71   3.62500 -1.0 2.0
   67    69    70    74   3.62500 -1.0 2.0
   67    69    72    73   0.84100 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    72   3.62500 -1.0 2.0
   69    70   -74    64   3.62500 -1.0 2.0
   69    70    74    75   3.62500 -1.0 2.0
   70    69    72    73   0.84100 -1.0 2.0
   71    70    74    64   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   74    64    65    66   3.62500 -1.0 2.0
   74    64   -65    67   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    74   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
   41    60    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   60    62    51    48   4.00000 -1.0 2.0
   51    61    60    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   55    49    54    56  10.50000 -1.0 2.0
   65    74    64    57   4.00000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   70    72    69    67   4.00000 -1.0 2.0
   74    71    70    69   1.10000 -1.0 2.0
   70    75    74    64   1.10000 -1.0 2.0
END
