* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    237     440
    1     0 S   NP   _N1_     1    28.77196    95.85809   -24.13201
    2     1 S   H    _HN1     2     1.02788   109.39136   -98.21905
    3     1 S   H    _H1_     3     1.02949    75.93694     6.62155
    4     1 S   H    _H2_     4     1.02828    32.68803   168.66853
    5     1 S   CT   _CA1     5     1.50114   132.63061   111.57961
    6     5 S   HC   _HA1     6     1.09574   105.18713    88.27264
    7     5 S   CO3  _C1_     7     1.53781   112.44352   -31.95453
    8     7 S   O2Z  _O11     8     1.26373   115.00826   -43.12343
    9     7 S   O2Z  _O12     9     1.26238   114.94151   135.95604
   10     5 S   CT   _CB1    10     1.53072   107.41441  -153.76264
   11    10 S   HC   HB11    11     1.09835   109.35642   -49.70529
   12    10 S   HC   HB12    12     1.09812   110.46379    66.89846
   13    10 S   CT   _CG1    13     1.52997   112.60947  -170.66881
   14    13 S   HC   HG11    14     1.09580   110.65595   -66.08223
   15    13 S   HC   HG12    15     1.09671   109.76274    53.15238
   16    13 S   C    _CD1    16     1.51806   112.16198   173.60720
   17    16 S   O    _OE1    17     1.22741   123.24846     8.29489
   18    16 S   N    _N2_    18     1.38636   111.69987  -171.74403
   19    18 S   H    _HN2    19     1.01579   119.01121     1.40681
   20    18 S   CT1  _CA2    20     1.46245   123.44692   177.45316
   21    20 S   HC   _HA2    21     1.09739   109.26598     5.25374
   22    20 S   C    _C2_    22     1.53634   108.97590  -110.23841
   23    22 S   O    _O2_    23     1.23074   122.24813  -150.58949
   24    20 S   CT   _CB2    32     1.53340   111.46489   127.16783
   25    24 S   HC   HB21    33     1.09496   109.79309    56.21201
   26    24 S   HC   HB22    34     1.09506   110.25282   175.35185
   27    22 S   N    _N3_    24     1.38323   113.85832    36.99734
   28    27 S   H    _HN3    25     1.01556   119.57185    -3.46396
   29    24 S   S    _SG2    35     1.82732   111.31868   -64.86187
   30    27 S   CT   _CA3    26     1.45274   123.24732   177.10288
   31    30 S   HC   HA31    27     1.09548   107.52817   -64.38509
   32    30 S   HC   HA32    28     1.09557   107.97571    52.06203
   33    29 S   CT   _C12    36     1.84642    99.58876  -177.07812
   34    33 S   HC   _H8_    37     1.09927   104.72853    53.79178
   35    30 S   CO3  _C3_    29     1.52962   114.06169   174.05931
   36    35 S   O2Z  _O31    30     1.26380   116.07824    -0.15577
   37    35 S   O2Z  _O32    31     1.26427   114.41288   179.89721
   38    33 S   CT   _C11    38     1.56319   115.33005   171.52377
   39    38 S   HC   _H7_    39     1.10104   102.11816  -151.29701
   40    38 S   CT   _C5_    40     1.53996   118.47633   -36.80140
   41    40 S   HC   _H3_    41     1.09618   109.89018    57.16359
   42    38 S   CT   _C10    58     1.56030   105.71119    97.73481
   43    40 S   CT   _C6_    42     1.53770   113.30193   175.89044
   44    43 S   HC   _H14    43     1.09946   109.26368   165.70370
   45    43 S   HC   _H15    44     1.09708   109.37114   -82.52284
   46    42 S   CT   _C14    59     1.55746    98.44955    41.95507
   47    46 S   HC   _H10    60     1.10054   109.09404    77.04537
   48    42 S   CT   _C15    66     1.54862   113.57631   -74.85975
   49    48 S   HC   _H17    67     1.09651   110.81870  -178.42753
   50    48 S   HC   _H18    68     1.09153   113.47105    61.97522
   51    48 S   HC   _H19    69     1.09481   111.24107   -59.27037
   52    40 S   CT   _C4_    72     1.53795   110.76119   -61.06863
   53    52 S   HC   _H11    73     1.09510   111.40035   -60.99575
   54    52 S   HC   _H12    74     1.09550   110.72365   178.98760
   55    52 S   HC   _H13    75     1.09336   111.87473    59.67708
   56    43 S   CT   _C7_    45     1.53494   116.67115    42.50720
   57    56 S   HC   _H4_    46     1.09734   109.53640    62.61457
   58    33 S   CT   _C13    61     1.56492   111.54354   -68.55524
   59    58 S   OM   _O34    62     1.32409   109.21243   117.20451
   60    58 S   HC   _H9_    63     1.09964   109.29032   -14.25977
   61    46 S   OH   _O33    64     1.42251   112.49005  -164.11557
   62    61 S   HO   _H16    65     0.97318   106.33652   168.94429
   63    56 S   CT   _C8_    47     1.53953   117.99946   -64.37020
   64    63 S   HC   _H5_    48     1.09674   110.63229   106.53586
   65    63 S   CM   _C16    49     1.49462   100.21592  -139.36414
   66    63 S   CT   _C9_    56     1.54421   113.63759   -16.97238
   67    66 S   HC   _H6_    57     1.09666   107.59182   -47.86767
   68    65 S   CO4  _C18    50     1.46999   110.09121    18.71177
   69    68 S   O    _O36    51     1.21736   127.16433   170.24043
   70    65 S   CM   _C17    53     1.33653   128.38382  -157.19564
   71    70 S   HC   _H21    54     1.08483   120.82836    -2.09256
   72    70 S   HC   _H22    55     1.08511   121.80950   177.87045
   73    66 S   OH   _O35    70     1.43103   110.63711  -160.62105
   74    73 S   HO   _H20    71     0.97140   108.49979   -62.79364
   75    56 S   OS   _O37    52     1.44895   105.74754   176.94008
  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  10   5   4   3
  16   8   2   1   1  26   9  17   9  21  14   6   5  14   7   9
   3   2   1   4   2   1   1  11   6   5   2   1   2   1  12   7
   9   6   2   5   2   3   1   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    46    58    59    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    66    42    46    47    58    59    60    61    48    52  
   38    39    40    42    46    58    59    60  
   36    37  
   37  
    0  
   39    40    41    43    44    45    56    63    66    67    42    46    47    58    59    60    61    48    49    50    51    73    52    53    54    55  
   40    41    43    66    42    46    58    48    52  
   41    43    44    45    56    57    63    75    66    42    46    58    48    52    53    54    55  
   43    44    45    56    42    52    53    54    55  
   46    47    58    59    60    61    62    48    49    50    51    73    74    52    43    56    63    64    65    66    67  
   44    45    56    57    63    64    65    68    75    66    52    53    54    55  
   45    56    57    63    75    52  
   56    57    63    75    52  
   47    58    59    60    61    62    48    49    50    51    73    63    66    67  
   58    59    60    61    62    48    66  
   49    50    51    73    58    61    63    66    67  
   50    51    66  
   51    66  
   66  
   53    54    55    56  
   54    55  
   55  
    0  
   57    63    64    65    68    69    75    70    66    67    73  
   63    64    65    68    75    66  
   59    60    61    62    66  
   60    61  
   61  
   62    66  
    0  
   64    65    68    69    75    70    71    72    66    67    73    74  
   65    68    75    70    66    67    73  
   68    69    75    70    71    72    66    67    73  
   67    73    74    68    70    75  
   73    74  
   69    75    70    71    72  
   75    70  
   71    72    75  
   72  
    0  
   74  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   60   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    58   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   268.000  1.529
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    52   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    56   268.000  1.529
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    75   320.000  1.410
   63    64   340.000  1.090
   63    65   317.000  1.510
   63    66   268.000  1.529
   65    68   320.000  1.462
   65    70   549.000  1.340
   68    69   570.000  1.229
   68    75   214.000  1.327
   70    71   340.000  1.080
   70    72   340.000  1.080
   66    67   340.000  1.090
   66    42   268.000  1.529
   66    73   320.000  1.410
   42    46   268.000  1.529
   42    48   268.000  1.529
   46    47   340.000  1.090
   46    58   268.000  1.529
   46    61   320.000  1.410
   58    59   570.000  1.307
   58    60   340.000  1.090
   61    62   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   73    74   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    58.35000  112.70000
   33    58    46    58.35000  112.70000
   33    58    59    50.00000  109.50000
   33    58    60    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    52    58.35000  112.70000
   38    42    66    58.35000  112.70000
   38    42    46    58.35000  112.70000
   38    42    48    58.35000  112.70000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    56    58.35000  112.70000
   40    52    53    37.50000  110.70000
   40    52    54    37.50000  110.70000
   40    52    55    37.50000  110.70000
   43    40    41    37.50000  110.70000
   43    56    57    37.50000  110.70000
   43    56    63    58.35000  112.70000
   43    56    75    50.00000  109.50000
   45    43    44    33.00000  107.80000
   56    43    44    37.50000  110.70000
   56    43    45    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    70.00000  112.02700
   56    63    66    58.35000  112.70000
   56    75    68    83.00000  116.90000
   63    56    57    37.50000  110.70000
   63    65    68    65.00000  116.34900
   63    65    70    70.00000  124.00000
   63    66    67    37.50000  110.70000
   63    66    42    58.35000  112.70000
   63    66    73    50.00000  109.50000
   65    63    64    35.00000  109.50000
   65    68    69    80.00000  123.72100
   65    68    75    90.00000  111.29400
   65    70    71    35.00000  120.00000
   65    70    72    35.00000  120.00000
   75    56    57    35.00000  109.50000
   75    56    63    50.00000  109.50000
   75    68    69    83.00000  123.40000
   70    65    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   66    63    64    37.50000  110.70000
   66    63    65    70.00000  112.02700
   66    42    46    58.35000  112.70000
   66    42    48    58.35000  112.70000
   66    73    74    55.00000  108.50000
   42    38    39    37.50000  110.70000
   42    38    40    58.35000  112.70000
   42    66    67    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    58    58.35000  112.70000
   42    46    61    50.00000  109.50000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    51    37.50000  110.70000
   46    58    59    50.00000  109.50000
   46    58    60    37.50000  110.70000
   46    61    62    55.00000  108.50000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    46    47    37.50000  110.70000
   60    58    59    45.00000  125.66300
   61    46    47    35.00000  109.50000
   61    46    58    50.00000  109.50000
   48    42    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   73    66    67    35.00000  109.50000
   73    66    42    50.00000  109.50000
   52    40    41    37.50000  110.70000
   52    40    43    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    58    46   0.44750  1.0 1.0
   29    33    58    46  -0.17800 -1.0 2.0
   29    33    58    46   0.20200  1.0 3.0
   29    33    58    59   0.56750  1.0 1.0
   29    33    58    59  -0.07550 -1.0 2.0
   29    33    58    59   0.20000  1.0 3.0
   29    33    58    60   0.15000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    52   0.56750  1.0 1.0
   33    38    40    52  -0.07550 -1.0 2.0
   33    38    40    52   0.20000  1.0 3.0
   33    38    42    66   0.56750  1.0 1.0
   33    38    42    66  -0.07550 -1.0 2.0
   33    38    42    66   0.20000  1.0 3.0
   33    38   -42    46   0.56750  1.0 1.0
   33    38   -42    46  -0.07550 -1.0 2.0
   33    38   -42    46   0.20000  1.0 3.0
   33    38    42    48   0.56750  1.0 1.0
   33    38    42    48  -0.07550 -1.0 2.0
   33    38    42    48   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    58    46   0.15000  1.0 3.0
   34    33    58    59   0.23400  1.0 3.0
   34    33    58    60   0.15000  1.0 3.0
   38    33   -58    46   0.56750  1.0 1.0
   38    33   -58    46  -0.07550 -1.0 2.0
   38    33   -58    46   0.20000  1.0 3.0
   38    33    58    59   0.62750  1.0 1.0
   38    33    58    59  -0.30950 -1.0 2.0
   38    33    58    59   0.27300  1.0 3.0
   38    33    58    60   0.15000  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    45   0.15000  1.0 3.0
   38    40    43    56   0.56750  1.0 1.0
   38    40    43    56  -0.07550 -1.0 2.0
   38    40    43    56   0.20000  1.0 3.0
   38    40    52    53   0.15000  1.0 3.0
   38    40    52    54   0.15000  1.0 3.0
   38    40    52    55   0.15000  1.0 3.0
   38    42    46    47   0.15000  1.0 3.0
   38    42   -46    58   0.56750  1.0 1.0
   38    42   -46    58  -0.07550 -1.0 2.0
   38    42   -46    58   0.20000  1.0 3.0
   38    42    46    61   0.86500  1.0 1.0
   38    42    46    61  -0.17500 -1.0 2.0
   38    42    46    61   0.20800  1.0 3.0
   38    42    48    49   0.15000  1.0 3.0
   38    42    48    50   0.15000  1.0 3.0
   38    42    48    51   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    52   0.15000  1.0 3.0
   39    38    42    66   0.15000  1.0 3.0
   39    38    42    46   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   40    38    42    66   0.56750  1.0 1.0
   40    38    42    66  -0.07550 -1.0 2.0
   40    38    42    66   0.20000  1.0 3.0
   40    38    42    46   0.56750  1.0 1.0
   40    38    42    46  -0.07550 -1.0 2.0
   40    38    42    46   0.20000  1.0 3.0
   40    38    42    48   0.56750  1.0 1.0
   40    38    42    48  -0.07550 -1.0 2.0
   40    38    42    48   0.20000  1.0 3.0
   40    43    56    57   0.15000  1.0 3.0
   40    43    56    63   0.56750  1.0 1.0
   40    43    56    63  -0.07550 -1.0 2.0
   40    43    56    63   0.20000  1.0 3.0
   40    43    56    75   0.62750  1.0 1.0
   40    43    56    75  -0.30950 -1.0 2.0
   40    43    56    75   0.27300  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    56   0.15000  1.0 3.0
   41    40    52    53   0.15000  1.0 3.0
   41    40    52    54   0.15000  1.0 3.0
   41    40    52    55   0.15000  1.0 3.0
   43    40    52    53   0.15000  1.0 3.0
   43    40    52    54   0.15000  1.0 3.0
   43    40    52    55   0.15000  1.0 3.0
   43    56    63    64   0.15000  1.0 3.0
   43    56    63    65   0.34400  1.0 1.0
   43    56    63    65   0.09450 -1.0 2.0
   43    56    63    65   0.11100  1.0 3.0
   43    56    63    66   0.56750  1.0 1.0
   43    56    63    66  -0.07550 -1.0 2.0
   43    56    63    66   0.20000  1.0 3.0
   43    56    75    68  -0.25900  1.0 1.0
   43    56    75    68  -0.47000 -1.0 2.0
   43    56    75    68   0.11750  1.0 3.0
   44    43    56    57   0.15000  1.0 3.0
   44    43    56    63   0.15000  1.0 3.0
   44    43    56    75   0.23400  1.0 3.0
   45    43    56    57   0.15000  1.0 3.0
   45    43    56    63   0.15000  1.0 3.0
   45    43    56    75   0.23400  1.0 3.0
   56    63   -65    68   0.09700  1.0 1.0
   56    63   -65    68   0.15600 -1.0 2.0
   56    63   -65    68  -0.50800  1.0 3.0
   56    63    65    70   0.09850  1.0 1.0
   56    63    65    70   0.15250 -1.0 2.0
   56    63    65    70  -0.50650  1.0 3.0
   56    63    66    67   0.15000  1.0 3.0
   56    63    66    42   0.56750  1.0 1.0
   56    63    66    42  -0.07550 -1.0 2.0
   56    63    66    42   0.20000  1.0 3.0
   56    63    66    73   0.86500  1.0 1.0
   56    63    66    73  -0.17500 -1.0 2.0
   56    63    66    73   0.20800  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   57    56    75    68   0.08050  1.0 3.0
   63    56   -75    68  -0.25900  1.0 1.0
   63    56   -75    68  -0.47000 -1.0 2.0
   63    56   -75    68   0.11750  1.0 3.0
   63    65    68    69  -0.64400  1.0 1.0
   63    65    68    69   0.26850 -1.0 2.0
   63    65   -68    75  -0.15000  1.0 1.0
   63    65   -68    75   0.89550 -1.0 2.0
   63    65   -68    75  -0.06900  1.0 3.0
   63    65    70    71   7.00000 -1.0 2.0
   63    65    70    72   7.00000 -1.0 2.0
   63    66    42    38   0.56750  1.0 1.0
   63    66    42    38  -0.07550 -1.0 2.0
   63    66    42    38   0.20000  1.0 3.0
   63    66    42    46   0.56750  1.0 1.0
   63    66    42    46  -0.07550 -1.0 2.0
   63    66    42    46   0.20000  1.0 3.0
   63    66    42    48   0.56750  1.0 1.0
   63    66    42    48  -0.07550 -1.0 2.0
   63    66    42    48   0.20000  1.0 3.0
   63    66    73    74  -0.11600  1.0 1.0
   63    66    73    74  -0.09450 -1.0 2.0
   63    66    73    74   0.21250  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   64    63    65    70   0.00000  1.0 1.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    42   0.15000  1.0 3.0
   64    63    66    73   0.23400  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    42   0.34400  1.0 1.0
   65    63    66    42   0.09450 -1.0 2.0
   65    63    66    42   0.11100  1.0 3.0
   65    63    66    73   1.05650  1.0 1.0
   65    63    66    73   0.15600 -1.0 2.0
   65    63    66    73   0.53150  1.0 3.0
   65    68   -75    56   2.00000 -1.0 2.0
   68    65    70    71   7.00000 -1.0 2.0
   68    65    70    72   7.00000 -1.0 2.0
   69    68    75    56   3.00000 -1.0 2.0
   75    56    63    64   0.23400  1.0 3.0
   75    56   -63    65   0.61850  1.0 1.0
   75    56   -63    65  -0.22750 -1.0 2.0
   75    56   -63    65   0.15300  1.0 3.0
   75    56    63    66   0.62750  1.0 1.0
   75    56    63    66  -0.30950 -1.0 2.0
   75    56    63    66   0.27300  1.0 3.0
   70    65    68    69   1.00000 -1.0 2.0
   70    65    68    75  -0.56150  1.0 1.0
   70    65    68    75   2.19150 -1.0 2.0
   66    63    65    68   0.09700  1.0 1.0
   66    63    65    68   0.15600 -1.0 2.0
   66    63    65    68  -0.50800  1.0 3.0
   66    63    65    70   0.09850  1.0 1.0
   66    63    65    70   0.15250 -1.0 2.0
   66    63    65    70  -0.50650  1.0 3.0
   66    42    46    47   0.15000  1.0 3.0
   66    42    46    58   0.56750  1.0 1.0
   66    42    46    58  -0.07550 -1.0 2.0
   66    42    46    58   0.20000  1.0 3.0
   66    42    46    61   0.86500  1.0 1.0
   66    42    46    61  -0.17500 -1.0 2.0
   66    42    46    61   0.20800  1.0 3.0
   66    42    48    49   0.15000  1.0 3.0
   66    42    48    50   0.15000  1.0 3.0
   66    42    48    51   0.15000  1.0 3.0
   67    66    42    38   0.15000  1.0 3.0
   67    66    42    46   0.15000  1.0 3.0
   67    66    42    48   0.15000  1.0 3.0
   67    66    73    74   0.19450  1.0 3.0
   42    38    40    41   0.15000  1.0 3.0
   42    38    40    43   0.56750  1.0 1.0
   42    38    40    43  -0.07550 -1.0 2.0
   42    38    40    43   0.20000  1.0 3.0
   42    38    40    52   0.56750  1.0 1.0
   42    38    40    52  -0.07550 -1.0 2.0
   42    38    40    52   0.20000  1.0 3.0
   42    66    73    74  -0.11600  1.0 1.0
   42    66    73    74  -0.09450 -1.0 2.0
   42    66    73    74   0.21250  1.0 3.0
   42    46   -58    33   0.56750  1.0 1.0
   42    46   -58    33  -0.07550 -1.0 2.0
   42    46   -58    33   0.20000  1.0 3.0
   42    46    58    59   0.62750  1.0 1.0
   42    46    58    59  -0.30950 -1.0 2.0
   42    46    58    59   0.27300  1.0 3.0
   42    46    58    60   0.15000  1.0 3.0
   42    46    61    62  -0.11600  1.0 1.0
   42    46    61    62  -0.09450 -1.0 2.0
   42    46    61    62   0.21250  1.0 3.0
   46    42    48    49   0.15000  1.0 3.0
   46    42    48    50   0.15000  1.0 3.0
   46    42    48    51   0.15000  1.0 3.0
   47    46    58    33   0.15000  1.0 3.0
   47    46    58    59   0.23400  1.0 3.0
   47    46    58    60   0.15000  1.0 3.0
   47    46    61    62   0.19450  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.56750  1.0 1.0
   58    33    38    40  -0.07550 -1.0 2.0
   58    33    38    40   0.20000  1.0 3.0
   58    33   -38    42   0.56750  1.0 1.0
   58    33   -38    42  -0.07550 -1.0 2.0
   58    33   -38    42   0.20000  1.0 3.0
   58    46    61    62  -0.11600  1.0 1.0
   58    46    61    62  -0.09450 -1.0 2.0
   58    46    61    62   0.21250  1.0 3.0
   61    46    58    33   0.86500  1.0 1.0
   61    46    58    33  -0.17500 -1.0 2.0
   61    46    58    33   0.20800  1.0 3.0
   61    46    58    59   3.69350  1.0 1.0
   61    46    58    59  -1.82950 -1.0 2.0
   61    46    58    60   0.23400  1.0 3.0
   48    42    46    47   0.15000  1.0 3.0
   48    42    46    58   0.56750  1.0 1.0
   48    42    46    58  -0.07550 -1.0 2.0
   48    42    46    58   0.20000  1.0 3.0
   48    42    46    61   0.86500  1.0 1.0
   48    42    46    61  -0.17500 -1.0 2.0
   48    42    46    61   0.20800  1.0 3.0
   73    66    42    38   0.86500  1.0 1.0
   73    66    42    38  -0.17500 -1.0 2.0
   73    66    42    38   0.20800  1.0 3.0
   73    66    42    46   0.86500  1.0 1.0
   73    66    42    46  -0.17500 -1.0 2.0
   73    66    42    46   0.20800  1.0 3.0
   73    66    42    48   0.86500  1.0 1.0
   73    66    42    48  -0.17500 -1.0 2.0
   73    66    42    48   0.20800  1.0 3.0
   52    40    43    44   0.15000  1.0 3.0
   52    40    43    45   0.15000  1.0 3.0
   52    40    43    56   0.56750  1.0 1.0
   52    40    43    56  -0.07550 -1.0 2.0
   52    40    43    56   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   63    68    65    70   1.10000 -1.0 2.0
   65    75    68    69  10.50000 -1.0 2.0
   71    72    70    65   1.10000 -1.0 2.0
END
