* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    138    216     410
    1     0 S   NP   _N1_     1    28.07180    95.62169   -23.10708
    2     1 S   H    _HN1     2     1.02777   100.56871  -109.39216
    3     1 S   H    _H1_     3     1.02957    81.04001    -2.26200
    4     1 S   H    _H2_     4     1.02835    31.44928   143.52013
    5     1 S   CT   _CA1     5     1.50141   138.37731   108.44753
    6     5 S   HC   _HA1     6     1.09575   105.20550    77.90006
    7     5 S   CO3  _C1_     7     1.53772   112.33130   -42.28374
    8     7 S   O2Z  _O11     8     1.26368   114.99214   -44.29129
    9     7 S   O2Z  _O12     9     1.26227   114.92677   134.72442
   10     5 S   CT   _CB1    10     1.53085   107.41388  -164.19765
   11    10 S   HC   HB11    11     1.09830   109.31419   -50.32645
   12    10 S   HC   HB12    12     1.09815   110.44013    66.21891
   13    10 S   CT   _CG1    13     1.53028   112.69557  -171.37379
   14    13 S   HC   HG11    14     1.09592   110.54616   -65.02571
   15    13 S   HC   HG12    15     1.09662   109.89504    54.19152
   16    13 S   C    _CD1    16     1.51846   112.22775   174.56653
   17    16 S   O    _OE1    17     1.22759   123.29945     2.74153
   18    16 S   N    _N2_    18     1.38532   111.76592  -177.28358
   19    18 S   H    _HN2    19     1.01540   119.05409     3.54519
   20    18 S   CT1  _CA2    20     1.45819   122.81630   177.79860
   21    20 S   HC   _HA2    21     1.09719   108.88616    26.57281
   22    20 S   C    _C2_    22     1.52935   106.95535   -90.70053
   23    22 S   O    _O2_    23     1.22982   123.03167   -27.62562
   24    20 S   CT   _CB2    32     1.53210   112.32506   149.88804
   25    24 S   HC   HB21    33     1.09395   109.59553    56.91447
   26    24 S   HC   HB22    34     1.09482   109.83977   175.29580
   27    22 S   N    _N3_    24     1.38482   112.54568   155.30483
   28    27 S   H    _HN3    25     1.01652   120.35867    -2.35352
   29    24 S   S    _SG2    35     1.82812   111.11668   -65.01215
   30    27 S   CT   _CA3    26     1.45357   122.50741   178.44884
   31    30 S   HC   HA31    27     1.09567   107.85542   -54.95188
   32    30 S   HC   HA32    28     1.09561   107.57615    61.39786
   33    29 S   CT   _C13    36     1.88195   101.50946   163.66472
   34    30 S   CO3  _C3_    29     1.52898   114.28983  -176.85758
   35    34 S   O2Z  _O31    30     1.26341   116.04100     0.73940
   36    34 S   O2Z  _O32    31     1.26431   114.41998  -179.32218
   37    33 S   CM   _C12    37     1.52172   106.09601   -69.04580
   38    37 S   HC   _H11    38     1.08983   114.64520   -60.34546
   39    33 S   CM   _C15    66     1.51950   105.68061   172.70693
   40    39 S   HC   _H15    67     1.09179   118.02482   -35.12650
   41    33 S   CT   _C14    71     1.53813   108.88836    56.85049
   42    41 S   HC   _H12    72     1.09731   111.70574    56.60932
   43    41 S   HC   _H13    73     1.09680   111.31968   175.83656
   44    41 S   HC   _H14    74     1.09514   112.74631   -64.65077
   45    37 S   CM   _C11    39     1.34541   127.04463   120.45936
   46    45 S   HC   _H10    40     1.08505   117.53090    -1.64461
   47    39 S   CMA  _C16    68     1.51443   124.28036   150.35923
   48    47 S   OM   _O34    69     1.26187   119.37680  -140.97904
   49    47 S   OM   _O35    70     1.26198   122.01866    40.65088
   50    45 S   CT   _C10    41     1.51664   126.11081   178.76394
   51    50 S   CT   _C5_    42     1.54583   116.62235  -138.16545
   52    50 S   OH   _O36    64     1.43732   109.51863   -14.20479
   53    52 S   HO   _H16    65     0.97356   107.99127   -53.19720
   54    51 S   CT   _C6_    43     1.54758   111.76604   -53.04126
   55    54 S   HC   _H6_    44     1.09740   109.63691  -170.33147
   56    54 S   HC   _H7_    45     1.09556   111.02856    71.34658
   57    51 S   CT   _C17    53     1.53884   100.14894  -168.34254
   58    57 S   HC   _H17    54     1.09472   113.48304   154.12400
   59    57 S   HC   _H18    55     1.09578   112.44326   -82.96828
   60    51 S   CT   _C4_    60     1.53031   115.13112    72.26952
   61    60 S   HC   _H3_    61     1.09483   112.08907    57.98131
   62    60 S   HC   _H4_    62     1.09483   111.06573   -62.72838
   63    60 S   HC   _H5_    63     1.09591   110.84628   177.52543
   64    54 S   CO4  _C7_    46     1.51737   113.56652   -50.24730
   65    64 S   O    _O33    47     1.23265   120.53091  -159.61959
   66    64 S   CT   _C8_    48     1.51585   118.66973    25.38994
   67    66 S   HC   _H8_    49     1.09512   108.28986    97.19089
   68    66 S   HC   _H9_    50     1.09712   106.67260  -146.22262
   69    50 S   CT   _C9_    51     1.54725   115.03727   107.99056
   70    69 S   OS   _O37    52     1.45379   104.81465   166.88512
   71    69 S   CT   _C18    56     1.52782   114.56833   -75.02508
   72    71 S   HC   _H19    57     1.09528   111.44792   -59.24513
   73    71 S   HC   _H20    58     1.09616   110.67422  -176.79564
   74    71 S   HC   _H21    59     1.09337   111.67226    62.50771
  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  11   5   4   3
  14   2   1   1  14   5   9   4   5   2   1   1  12   4   2   1
   1  23  18   8   1  16   6   5  11   4   3   6   2   1   1   7
   4   8   4   3   5   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    50    39    40    47    48    49    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    50    51    69    52    39    40    47    41    42    43    44  
   45    46    50    39    41  
   40    47    48    49    41    42    43    44    45  
   47    48    49    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    50    51    54    66    69    70    57    71    60    52    53  
   50    51    69    52  
   48    49  
   49  
    0  
   51    54    55    56    64    66    67    68    69    70    57    58    59    71    72    73    74    60    61    62    63    52    53  
   54    55    56    64    65    66    69    70    57    58    59    71    60    61    62    63    52    53  
   53    54    57    60    66    69    70    71  
   69  
   55    56    64    65    66    67    68    69    70    57    58    59    60    61    62    63  
   56    64    65    66    57    60  
   64    65    66    57    60  
   58    59    71    60    61    62    63    64    66    69    70  
   59    60    69    70  
   60    69    70  
   61    62    63    64    69    70  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71  
   66    67    68    69  
   67    68    69    70    71    72    73    74  
   68    69    70    71  
   69    70    71  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   49   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    50   317.000  1.510
   50    51   268.000  1.529
   50    69   268.000  1.529
   50    52   320.000  1.410
   51    54   268.000  1.529
   51    57   268.000  1.529
   51    60   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    64   317.000  1.522
   64    65   570.000  1.229
   64    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   320.000  1.410
   69    71   268.000  1.529
   70    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    49   745.000  1.250
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    50    70.00000  124.00000
   45    37    38    35.00000  120.00000
   45    50    51    70.00000  112.02700
   45    50    69    70.00000  112.02700
   45    50    52    90.00000  110.39200
   50    45    46    35.00000  117.00000
   50    51    54    58.35000  112.70000
   50    51    57    58.35000  112.70000
   50    51    60    58.35000  112.70000
   50    69    66    58.35000  112.70000
   50    69    70    50.00000  109.50000
   50    69    71    58.35000  112.70000
   50    52    53    55.00000  108.50000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    64    63.00000  111.10000
   51    57    70    50.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    63    37.50000  110.70000
   54    64    65    80.00000  120.40000
   54    64    66    70.00000  116.00000
   56    54    55    33.00000  107.80000
   64    54    55    35.00000  109.50000
   64    54    56    35.00000  109.50000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    69    63.00000  111.10000
   66    64    65    80.00000  120.40000
   66    69    70    50.00000  109.50000
   66    69    71    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    50    51    58.35000  112.70000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    70    57    60.00000  109.50000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    74    37.50000  110.70000
   70    57    58    35.00000  109.50000
   70    57    59    35.00000  109.50000
   57    51    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   71    69    70    50.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   60    51    54    58.35000  112.70000
   60    51    57    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   52    50    51    50.00000  109.50000
   52    50    69    50.00000  109.50000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    49    65.00000  137.10300
   47    39    40    40.00000  120.50800
   49    47    48    65.00000  121.00000
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    37    38   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    50   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    50    51   0.09850  1.0 1.0
   37    45    50    51   0.15250 -1.0 2.0
   37    45    50    51  -0.50650  1.0 3.0
   37    45    50    69   0.09850  1.0 1.0
   37    45    50    69   0.15250 -1.0 2.0
   37    45    50    69  -0.50650  1.0 3.0
   37    45    50    52   0.67800  1.0 1.0
   37    45    50    52   0.47050 -1.0 2.0
   37    45    50    52  -0.62500  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    50   7.00000 -1.0 2.0
   45    50    51    54   0.34400  1.0 1.0
   45    50    51    54   0.09450 -1.0 2.0
   45    50    51    54   0.11100  1.0 3.0
   45    50    51    57   0.34400  1.0 1.0
   45    50    51    57   0.09450 -1.0 2.0
   45    50    51    57   0.11100  1.0 3.0
   45    50    51    60   0.34400  1.0 1.0
   45    50    51    60   0.09450 -1.0 2.0
   45    50    51    60   0.11100  1.0 3.0
   45    50    69    66   0.34400  1.0 1.0
   45    50    69    66   0.09450 -1.0 2.0
   45    50    69    66   0.11100  1.0 3.0
   45    50    69    70   0.61850  1.0 1.0
   45    50    69    70  -0.22750 -1.0 2.0
   45    50    69    70   0.15300  1.0 3.0
   45    50    69    71   0.34400  1.0 1.0
   45    50    69    71   0.09450 -1.0 2.0
   45    50    69    71   0.11100  1.0 3.0
   45    50    52    53  -0.07800  1.0 1.0
   45    50    52    53  -0.21500 -1.0 2.0
   45    50    52    53  -0.03150  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    69   0.00000  1.0 1.0
   46    45    50    52   0.00000  1.0 1.0
   50    51    54    55   0.15000  1.0 3.0
   50    51    54    56   0.15000  1.0 3.0
   50    51    54    64  -0.95700  1.0 1.0
   50    51    54    64  -0.18200 -1.0 2.0
   50    51    54    64   0.29450  1.0 3.0
   50    51   -57    70   0.62750  1.0 1.0
   50    51   -57    70  -0.30950 -1.0 2.0
   50    51   -57    70   0.27300  1.0 3.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    60    61   0.15000  1.0 3.0
   50    51    60    62   0.15000  1.0 3.0
   50    51    60    63   0.15000  1.0 3.0
   50    69   -70    57   0.06250  1.0 1.0
   50    69   -70    57  -0.01100 -1.0 2.0
   50    69   -70    57   0.28050  1.0 3.0
   50    69    71    72   0.15000  1.0 3.0
   50    69    71    73   0.15000  1.0 3.0
   50    69    71    74   0.15000  1.0 3.0
   51    50    69    66   0.56750  1.0 1.0
   51    50    69    66  -0.07550 -1.0 2.0
   51    50    69    66   0.20000  1.0 3.0
   51    50   -69    70   0.62750  1.0 1.0
   51    50   -69    70  -0.30950 -1.0 2.0
   51    50   -69    70   0.27300  1.0 3.0
   51    50    69    71   0.56750  1.0 1.0
   51    50    69    71  -0.07550 -1.0 2.0
   51    50    69    71   0.20000  1.0 3.0
   51    50    52    53  -0.11600  1.0 1.0
   51    50    52    53  -0.09450 -1.0 2.0
   51    50    52    53   0.21250  1.0 3.0
   51    54    64    65   0.30150 -1.0 2.0
   51    54   -64    66   0.60050  1.0 1.0
   51    54   -64    66   0.05600 -1.0 2.0
   51    54   -64    66   0.26150  1.0 3.0
   54    51    57    70   0.62750  1.0 1.0
   54    51    57    70  -0.30950 -1.0 2.0
   54    51    57    70   0.27300  1.0 3.0
   54    51    57    58   0.15000  1.0 3.0
   54    51    57    59   0.15000  1.0 3.0
   54    51    60    61   0.15000  1.0 3.0
   54    51    60    62   0.15000  1.0 3.0
   54    51    60    63   0.15000  1.0 3.0
   54    64    66    67   0.00000  1.0 1.0
   54    64    66    68   0.00000  1.0 1.0
   54    64    66    69   0.60050  1.0 1.0
   54    64    66    69   0.05600 -1.0 2.0
   54    64    66    69   0.26150  1.0 3.0
   55    54    64    65   0.00000  1.0 1.0
   55    54    64    66   0.00000  1.0 1.0
   56    54    64    65   0.00000  1.0 1.0
   56    54    64    66   0.00000  1.0 1.0
   64    66   -69    50  -0.95700  1.0 1.0
   64    66   -69    50  -0.18200 -1.0 2.0
   64    66   -69    50   0.29450  1.0 3.0
   64    66    69    70  -0.09450  1.0 1.0
   64    66    69    70  -1.12950 -1.0 2.0
   64    66    69    70   0.54000  1.0 3.0
   64    66    69    71  -0.95700  1.0 1.0
   64    66    69    71  -0.18200 -1.0 2.0
   64    66    69    71   0.29450  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    69   0.30150 -1.0 2.0
   66    69    70    57   0.06250  1.0 1.0
   66    69    70    57  -0.01100 -1.0 2.0
   66    69    70    57   0.28050  1.0 3.0
   66    69    71    72   0.15000  1.0 3.0
   66    69    71    73   0.15000  1.0 3.0
   66    69    71    74   0.15000  1.0 3.0
   67    66    69    50   0.15000  1.0 3.0
   67    66    69    70   0.23400  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   68    66    69    50   0.15000  1.0 3.0
   68    66    69    70   0.23400  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   69    50   -51    54   0.56750  1.0 1.0
   69    50   -51    54  -0.07550 -1.0 2.0
   69    50   -51    54   0.20000  1.0 3.0
   69    50   -51    57   0.56750  1.0 1.0
   69    50   -51    57  -0.07550 -1.0 2.0
   69    50   -51    57   0.20000  1.0 3.0
   69    50    51    60   0.56750  1.0 1.0
   69    50    51    60  -0.07550 -1.0 2.0
   69    50    51    60   0.20000  1.0 3.0
   69    50    52    53  -0.11600  1.0 1.0
   69    50    52    53  -0.09450 -1.0 2.0
   69    50    52    53   0.21250  1.0 3.0
   69    70   -57    51   0.06250  1.0 1.0
   69    70   -57    51  -0.01100 -1.0 2.0
   69    70   -57    51   0.28050  1.0 3.0
   69    70    57    58   0.37050  1.0 3.0
   69    70    57    59   0.37050  1.0 3.0
   70    69    71    72   0.23400  1.0 3.0
   70    69    71    73   0.23400  1.0 3.0
   70    69    71    74   0.23400  1.0 3.0
   57    51    54    55   0.15000  1.0 3.0
   57    51    54    56   0.15000  1.0 3.0
   57    51    54    64  -0.95700  1.0 1.0
   57    51    54    64  -0.18200 -1.0 2.0
   57    51    54    64   0.29450  1.0 3.0
   57    51    60    61   0.15000  1.0 3.0
   57    51    60    62   0.15000  1.0 3.0
   57    51    60    63   0.15000  1.0 3.0
   71    69    70    57   0.06250  1.0 1.0
   71    69    70    57  -0.01100 -1.0 2.0
   71    69    70    57   0.28050  1.0 3.0
   60    51    54    55   0.15000  1.0 3.0
   60    51    54    56   0.15000  1.0 3.0
   60    51    54    64  -0.95700  1.0 1.0
   60    51    54    64  -0.18200 -1.0 2.0
   60    51    54    64   0.29450  1.0 3.0
   60    51    57    70   0.62750  1.0 1.0
   60    51    57    70  -0.30950 -1.0 2.0
   60    51    57    70   0.27300  1.0 3.0
   60    51    57    58   0.15000  1.0 3.0
   60    51    57    59   0.15000  1.0 3.0
   52    50    51    54   0.86500  1.0 1.0
   52    50    51    54  -0.17500 -1.0 2.0
   52    50    51    54   0.20800  1.0 3.0
   52    50    51    57   0.86500  1.0 1.0
   52    50    51    57  -0.17500 -1.0 2.0
   52    50    51    57   0.20800  1.0 3.0
   52    50    51    60   0.86500  1.0 1.0
   52    50    51    60  -0.17500 -1.0 2.0
   52    50    51    60   0.20800  1.0 3.0
   52    50    69    66   0.86500  1.0 1.0
   52    50    69    66  -0.17500 -1.0 2.0
   52    50    69    66   0.20800  1.0 3.0
   52    50    69    70   3.69350  1.0 1.0
   52    50    69    70  -1.82950 -1.0 2.0
   52    50    69    71   0.86500  1.0 1.0
   52    50    69    71  -0.17500 -1.0 2.0
   52    50    69    71   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    49   7.00000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   50    46    45    37  15.00000 -1.0 2.0
   54    66    64    65  10.50000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    49    47    39  15.00000 -1.0 2.0
END
