* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    219     412
    1     0 S   NP   _N1_     1    29.16256    97.12631   -18.88969
    2     1 S   H    _HN1     2     1.02942    79.49095    16.99706
    3     1 S   H    _H1_     3     1.02829    53.40416   137.64766
    4     1 S   H    _H2_     4     1.02765    74.80475   -95.58566
    5     1 S   CT   _CA1     5     1.50141   163.88921   146.33223
    6     5 S   HC   _HA1     6     1.09557   105.25705    51.87861
    7     5 S   CO3  _C1_     7     1.54148   112.20573   -68.56528
    8     7 S   O2Z  _O11     8     1.26449   114.80797   -41.09671
    9     7 S   O2Z  _O12     9     1.26232   115.27640   137.87059
   10     5 S   CT   _CB1    10     1.53273   107.44427   170.33212
   11    10 S   HC   HB11    11     1.09793   110.31253   -43.53391
   12    10 S   HC   HB12    12     1.09793   110.23977    73.56884
   13    10 S   CT   _CG1    13     1.52752   111.77359  -164.16622
   14    13 S   HC   HG11    14     1.09302   109.95985   -52.96623
   15    13 S   HC   HG12    15     1.09601   109.79970    65.89255
   16    13 S   C    _CD1    16     1.51653   113.29554  -172.85674
   17    16 S   O    _OE1    17     1.22688   123.38225    -4.85805
   18    16 S   N    _N2_    18     1.38574   111.19276   174.67896
   19    18 S   H    _HN2    19     1.01974   118.73328     4.98802
   20    18 S   CT1  _CA2    20     1.46080   124.01417  -174.92599
   21    20 S   HC   _HA2    21     1.09724   109.26064   -15.76961
   22    20 S   C    _C2_    22     1.53499   108.95210  -131.60076
   23    22 S   O    _O2_    23     1.23070   122.13746  -151.55794
   24    20 S   CT   _CB2    32     1.53525   110.80042   106.33505
   25    24 S   HC   HB21    33     1.09515   109.55858    51.13003
   26    24 S   HC   HB22    34     1.09483   110.99838   169.90529
   27    22 S   N    _N3_    24     1.38455   113.62568    36.34859
   28    27 S   H    _HN3    25     1.01524   118.87521    -2.99715
   29    24 S   S    _SG2    35     1.82964   111.69613   -70.96990
   30    27 S   CT   _CA3    26     1.45373   123.29637   175.25463
   31    30 S   HC   HA31    27     1.09545   108.86431    30.70758
   32    30 S   HC   HA32    28     1.09491   107.20213   147.59247
   33    29 S   CT   _C10    36     1.84396    99.73340   155.37730
   34    33 S   HC   _H3_    37     1.09591   105.78391    37.49258
   35    30 S   CO3  _C3_    29     1.52932   113.43205   -92.54742
   36    35 S   O2Z  _O31    30     1.26392   115.59742   -42.35754
   37    35 S   O2Z  _O32    31     1.26402   114.90911   138.62768
   38    33 S   CA   _C9_    38     1.52169   110.70853   154.31741
   39    33 S   CM   _C11    51     1.51321   109.05488   -81.70925
   40    39 S   HC   _H10    52     1.09123   115.61020   -53.61128
   41    38 S   CA   _C4_    39     1.40561   119.43257  -116.66344
   42    41 S   HA   _H7_    40     1.08781   120.28847     0.00000
   43    39 S   CMA  _C12    53     1.35443   126.95995   125.38588
   44    43 S   OM   _O33    54     1.26693   126.29169     2.18319
   45    41 S   CA   _C5_    41     1.39706   120.95015  -179.85065
   46    45 S   HA   _H8_    42     1.08614   119.31096   179.97202
   47    43 S   OS   _O34    55     1.41857   109.85791  -179.77100
   48    45 S   CA   _C6_    43     1.39256   119.71817     0.07662
   49    47 S   CT   _C13    56     1.44004   114.96300   126.37168
   50    49 S   HC   _H4_    57     1.09812   110.00893    50.39828
   51    48 S   CA   _C7_    44     1.39164   120.12342     0.06256
   52    48 S   OH   _O41    49     1.36717   120.47595  -180.00000
   53    52 S   HO   _H19    50     0.97199   108.66119    -0.25944
   54    49 S   CT   _C14    58     1.53954   110.83626   -71.31455
   55    54 S   HC   _H11    59     1.09539   109.42541   -49.75402
   56    54 S   HC   _H12    60     1.09731   108.22840    64.64888
   57    38 S   CA   _C8_    45     1.40644   122.06554    63.69518
   58    57 S   HA   _H9_    46     1.08729   119.93569    -0.21489
   59    51 S   OH   _O40    47     1.36774   119.29638   179.91377
   60    59 S   HO   _H18    48     0.97215   108.64475  -179.32798
   61    54 S   CT   _C15    61     1.53678   112.89444  -173.41507
   62    61 S   CT   _C16    62     1.53149   111.74324    51.54990
   63    62 S   HC   _H13    63     1.09846   110.05456  -171.98014
   64    62 S   HC   _H14    64     1.09729   111.13664    71.62833
   65    61 S   CO3  _C19    73     1.55238   108.15055   177.59841
   66    65 S   O2Z  _O38    74     1.26716   114.71051    57.91128
   67    65 S   O2Z  _O37    75     1.26244   116.54587  -122.53405
   68    61 S   OH   _O39    76     1.43550   108.41921   -66.98970
   69    68 S   HO   _H17    77     0.97443   107.10846   -64.07966
   70    62 S   CT   _C17    65     1.53265   112.15615   -51.40675
   71    70 S   HC   _H5_    66     1.09678   109.47645   -66.25047
   72    49 S   CT   _C18    67     1.53885   107.52687   167.16424
   73    72 S   HC   _H6_    68     1.09594   109.80716   -61.53714
   74    70 S   OH   _O36    71     1.42567   109.79221   176.55508
   75    74 S   HO   _H16    72     0.97215   107.47456    54.70772
   76    72 S   OH   _O35    69     1.43264   110.91370    54.22206
   77    76 S   HO   _H15    70     0.97264   109.62233    60.40571
  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  10   7
  15   8   6   3   1  15   6   5   3   1   1   1  12  14   7   6
   5   2   1   2   1   7   5   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    57    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    57    58    39    40    43    44    47  
   38    41    57    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    57    58    59    39    40    43  
   40    43    44    47    49    41    57  
   43    44    47  
   42    45    46    48    51    57    58    52  
   45    46    48    57  
   44    47    49    50    54    72  
   47    49  
   46    48    51    57    59    52    53  
   48    51    52  
   49    50    54    55    56    61    70    72    73    76  
   51    57    58    59    60    52    53  
   50    54    55    56    61    62    70    71    72    73    76    77    74    65    68  
   54    55    56    61    70    72    73    76  
   57    58    59    60    52    53  
   53    57    59  
    0  
   55    56    61    62    63    64    70    72    73    76    65    66    67    68    69  
   56    61    62    72    65    68  
   61    62    72    65    68  
   58    59    60  
   59  
   60  
    0  
   62    63    64    70    71    72    74    65    66    67    68    69  
   63    64    70    71    72    73    76    74    75    65    66    67    68    69  
   64    70    71    72    74    65    68  
   70    71    72    74    65    68  
   66    67    68    69    70  
   67    68  
   68  
   69    70  
    0  
   71    72    73    76    77    74    75  
   72    73    76    74    75  
   73    76    77    74    75  
   76    77    74  
   75    76  
    0  
   77  
    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   1.4250   1.2500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   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  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    57   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    57   469.000  1.400
   51    59   450.000  1.364
   57    58   367.000  1.080
   59    60   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   268.000  1.529
   49    72   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   268.000  1.529
   61    65   317.000  1.522
   61    68   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   320.000  1.410
   72    73   340.000  1.090
   72    76   320.000  1.410
   76    77   553.000  0.945
   74    75   553.000  0.945
   65    66   656.000  1.250
   65    67   656.000  1.250
   68    69   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    57    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    57    51    63.00000  120.00000
   38    57    58    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    57    63.00000  120.00000
   48    51    59    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    57    58    35.00000  120.00000
   51    59    60    35.00000  113.00000
   57    38    41    63.00000  120.00000
   59    51    57    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    50.00000  109.50000
   47    49    72    50.00000  109.50000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    61    58.35000  112.70000
   49    72    70    58.35000  112.70000
   49    72    73    37.50000  110.70000
   49    72    76    50.00000  109.50000
   54    49    50    37.50000  110.70000
   54    61    62    58.35000  112.70000
   54    61    65    70.00000  109.69300
   54    61    68    50.00000  109.50000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    70    58.35000  112.70000
   61    65    66    70.00000  117.00000
   61    65    67    70.00000  117.00000
   61    68    69    55.00000  108.50000
   62    70    71    37.50000  110.70000
   62    70    72    58.35000  112.70000
   62    70    74    50.00000  109.50000
   64    62    63    33.00000  107.80000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    76    50.00000  109.50000
   70    74    75    55.00000  108.50000
   72    49    50    37.50000  110.70000
   72    49    54    58.35000  112.70000
   72    70    71    37.50000  110.70000
   72    76    77    55.00000  108.50000
   76    72    73    35.00000  109.50000
   74    70    71    35.00000  109.50000
   74    70    72    50.00000  109.50000
   65    61    62    70.00000  109.69300
   67    65    66    80.00000  126.00000
   68    61    62    50.00000  109.50000
   68    61    65    95.00000  109.52300
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    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   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    57    51   3.62500 -1.0 2.0
   33    38    57    58   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    57   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    57    51   3.62500 -1.0 2.0
   41    38    57    58   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    57   3.62500 -1.0 2.0
   45    48    51    59   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   -57    38   3.62500 -1.0 2.0
   48    51    57    58   3.62500 -1.0 2.0
   48    51    59    60   0.84100 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   57    51    59    60   0.84100 -1.0 2.0
   59    51    57    38   3.62500 -1.0 2.0
   59    51    57    58   3.62500 -1.0 2.0
   52    48    51    57   3.62500 -1.0 2.0
   52    48    51    59   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    57   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  -0.46850  1.0 1.0
   43    47    49    54   0.09300 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    72  -0.46850  1.0 1.0
   43    47    49    72   0.09300 -1.0 2.0
   43    47    49    72  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.23400  1.0 3.0
   47    49    54    56   0.23400  1.0 3.0
   47    49    54    61   0.62750  1.0 1.0
   47    49    54    61  -0.30950 -1.0 2.0
   47    49    54    61   0.27300  1.0 3.0
   47    49    72    70   0.62750  1.0 1.0
   47    49    72    70  -0.30950 -1.0 2.0
   47    49    72    70   0.27300  1.0 3.0
   47    49    72    73   0.23400  1.0 3.0
   47    49    72    76   3.69350  1.0 1.0
   47    49    72    76  -1.82950 -1.0 2.0
   49    54    61    62   0.56750  1.0 1.0
   49    54    61    62  -0.07550 -1.0 2.0
   49    54    61    62   0.20000  1.0 3.0
   49    54    61    65  -1.63150  1.0 1.0
   49    54    61    65  -0.43550 -1.0 2.0
   49    54    61    65   0.24500  1.0 3.0
   49    54    61    68   0.86500  1.0 1.0
   49    54    61    68  -0.17500 -1.0 2.0
   49    54    61    68   0.20800  1.0 3.0
   49    72    76    77  -0.11600  1.0 1.0
   49    72    76    77  -0.09450 -1.0 2.0
   49    72    76    77   0.21250  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    61   0.15000  1.0 3.0
   50    49    72    70   0.15000  1.0 3.0
   50    49    72    73   0.15000  1.0 3.0
   50    49    72    76   0.23400  1.0 3.0
   54    49    72    70   0.56750  1.0 1.0
   54    49    72    70  -0.07550 -1.0 2.0
   54    49    72    70   0.20000  1.0 3.0
   54    49    72    73   0.15000  1.0 3.0
   54    49    72    76   0.86500  1.0 1.0
   54    49    72    76  -0.17500 -1.0 2.0
   54    49    72    76   0.20800  1.0 3.0
   54    61    62    63   0.15000  1.0 3.0
   54    61    62    64   0.15000  1.0 3.0
   54    61   -62    70   0.56750  1.0 1.0
   54    61   -62    70  -0.07550 -1.0 2.0
   54    61   -62    70   0.20000  1.0 3.0
   54    61    65    66   0.41150 -1.0 2.0
   54    61    65    67   0.41150 -1.0 2.0
   54    61    68    69  -0.11600  1.0 1.0
   54    61    68    69  -0.09450 -1.0 2.0
   54    61    68    69   0.21250  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    65  -0.11250  1.0 3.0
   55    54    61    68   0.23400  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    65  -0.11250  1.0 3.0
   56    54    61    68   0.23400  1.0 3.0
   61    62    70    71   0.15000  1.0 3.0
   61    62    70    72   0.56750  1.0 1.0
   61    62    70    72  -0.07550 -1.0 2.0
   61    62    70    72   0.20000  1.0 3.0
   61    62    70    74   0.86500  1.0 1.0
   61    62    70    74  -0.17500 -1.0 2.0
   61    62    70    74   0.20800  1.0 3.0
   62    61    65    66   0.41150 -1.0 2.0
   62    61    65    67   0.41150 -1.0 2.0
   62    61    68    69  -0.11600  1.0 1.0
   62    61    68    69  -0.09450 -1.0 2.0
   62    61    68    69   0.21250  1.0 3.0
   62    70   -72    49   0.56750  1.0 1.0
   62    70   -72    49  -0.07550 -1.0 2.0
   62    70   -72    49   0.20000  1.0 3.0
   62    70    72    73   0.15000  1.0 3.0
   62    70    72    76   0.86500  1.0 1.0
   62    70    72    76  -0.17500 -1.0 2.0
   62    70    72    76   0.20800  1.0 3.0
   62    70    74    75  -0.11600  1.0 1.0
   62    70    74    75  -0.09450 -1.0 2.0
   62    70    74    75   0.21250  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    74   0.23400  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    72   0.15000  1.0 3.0
   64    62    70    74   0.23400  1.0 3.0
   70    72    76    77  -0.11600  1.0 1.0
   70    72    76    77  -0.09450 -1.0 2.0
   70    72    76    77   0.21250  1.0 3.0
   71    70    72    49   0.15000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    76   0.23400  1.0 3.0
   71    70    74    75   0.19450  1.0 3.0
   72    49    54    55   0.15000  1.0 3.0
   72    49    54    56   0.15000  1.0 3.0
   72    49   -54    61   0.56750  1.0 1.0
   72    49   -54    61  -0.07550 -1.0 2.0
   72    49   -54    61   0.20000  1.0 3.0
   72    70    74    75  -0.11600  1.0 1.0
   72    70    74    75  -0.09450 -1.0 2.0
   72    70    74    75   0.21250  1.0 3.0
   73    72    76    77   0.19450  1.0 3.0
   74    70    72    49   0.86500  1.0 1.0
   74    70    72    49  -0.17500 -1.0 2.0
   74    70    72    49   0.20800  1.0 3.0
   74    70    72    73   0.23400  1.0 3.0
   74    70    72    76   3.75450  1.0 1.0
   65    61    62    63  -0.11250  1.0 3.0
   65    61    62    64  -0.11250  1.0 3.0
   65    61    62    70  -1.63150  1.0 1.0
   65    61    62    70  -0.43550 -1.0 2.0
   65    61    62    70   0.24500  1.0 3.0
   65    61    68    69   0.91850  1.0 1.0
   65    61    68    69   0.57950  1.0 3.0
   68    61    62    63   0.23400  1.0 3.0
   68    61    62    64   0.23400  1.0 3.0
   68    61    62    70   0.86500  1.0 1.0
   68    61    62    70  -0.17500 -1.0 2.0
   68    61    62    70   0.20800  1.0 3.0
   68    61    65    66   0.30150 -1.0 2.0
   68    61    65    67   0.30150 -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    57    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
   57    59    51    48   4.00000 -1.0 2.0
   51    58    57    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
   66    61    65    67  10.50000 -1.0 2.0
END
