* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    240     429
    1     0 S   NP   _N1_     1    28.83397    94.55984   -20.51668
    2     1 S   H    _HN1     2     1.02962    93.32141    13.60439
    3     1 S   H    _H1_     3     1.02837    35.98112   128.23936
    4     1 S   H    _H2_     4     1.02776    81.51189   -94.47949
    5     1 S   CT   _CA1     5     1.50086   145.49314   148.11188
    6     5 S   HC   _HA1     6     1.09544   105.35646    46.90764
    7     5 S   CO3  _C1_     7     1.53911   112.55224   -73.75606
    8     7 S   O2Z  _O11     8     1.26361   115.12357   -36.51357
    9     7 S   O2Z  _O12     9     1.26269   115.11074   143.29798
   10     5 S   CT   _CB1    10     1.53135   107.52968   165.45367
   11    10 S   HC   HB11    11     1.09815   109.99245   -45.42535
   12    10 S   HC   HB12    12     1.09835   110.00357    71.25103
   13    10 S   CT   _CG1    13     1.53030   112.59392  -166.37898
   14    13 S   HC   HG11    14     1.09499   110.55317   -53.59528
   15    13 S   HC   HG12    15     1.09606   110.16329    65.65328
   16    13 S   C    _CD1    16     1.51670   112.20698  -173.56678
   17    16 S   O    _OE1    17     1.22710   123.27110   -10.49985
   18    16 S   N    _N2_    18     1.38616   111.52036   169.09145
   19    18 S   H    _HN2    19     1.01587   119.11833     4.28322
   20    18 S   CT1  _CA2    20     1.46125   123.26312  -173.15086
   21    20 S   HC   _HA2    21     1.09721   109.41938    -9.59852
   22    20 S   C    _C2_    22     1.53298   108.78238  -125.73551
   23    22 S   O    _O2_    23     1.23022   122.15641  -146.18193
   24    20 S   CT   _CB2    32     1.53509   110.93896   111.96817
   25    24 S   HC   HB21    33     1.09522   109.65902    59.32279
   26    24 S   HC   HB22    34     1.09523   110.42828   178.00453
   27    22 S   N    _N3_    24     1.38482   113.42175    41.20982
   28    27 S   H    _HN3    25     1.01524   118.92195    -0.56648
   29    24 S   S    _SG2    35     1.82934   111.65293   -62.04040
   30    27 S   CT   _CA3    26     1.45443   123.39411   175.14078
   31    30 S   HC   HA31    27     1.09528   109.17534    25.63835
   32    30 S   HC   HA32    28     1.09495   107.14064   142.62500
   33    29 S   CT   _C13    36     1.82783    99.67295   168.40532
   34    33 S   HC   _H9_    37     1.09551   109.21777    39.33917
   35    30 S   CO3  _C3_    29     1.52925   113.14556   -97.79878
   36    35 S   O2Z  _O31    30     1.26400   115.41198   -44.66086
   37    35 S   O2Z  _O32    31     1.26358   114.97922   136.28071
   38    33 S   C3T  _C12    38     1.51793   108.19042   -80.59233
   39    38 S   HC   _H8_    39     1.07618   119.28828    42.12619
   40    38 S   C3T  _C11    40     1.48809   109.26634  -106.01998
   41    40 S   CT   _C10    41     1.51588   108.56986     2.02255
   42    41 S   HC   _H7_    42     1.09841   108.49255    95.17252
   43    38 S   O3T  _O33    74     1.43214   113.82778  -170.07407
   44    41 S   CT   _C9_    43     1.52224   107.42027  -146.36992
   45    44 S   HC   _H6_    44     1.10107   109.65107    63.15105
   46    33 S   CT   _C14    67     1.57689   114.53482   163.61742
   47    44 S   CT   _C8_    45     1.52445   108.49742   -58.32104
   48    47 S   HC   _H5_    46     1.09967   110.45207   -55.01372
   49    46 S   CT   _C15    68     1.52869   116.49367   -33.72157
   50    49 S   HC   _H15    69     1.09595   110.65727   -54.23121
   51    49 S   HC   _H16    70     1.09589   110.67268  -171.60314
   52    49 S   HC   _H17    71     1.09396   112.76377    67.70890
   53    46 S   OH   _O34    72     1.43554   108.00234  -153.27725
   54    53 S   HO   _H18    73     0.97257   107.93010    65.15914
   55    47 S   CM   _C17    47     1.48308    97.43725  -165.51808
   56    47 S   CT   _C7_    54     1.53059   110.29993    65.56287
   57    56 S   HC   _H13    55     1.09882   109.12767    57.88248
   58    56 S   HC   _H14    56     1.09396   111.13169   174.15038
   59    55 S   CO4  _C16    48     1.49019   106.22194    32.75945
   60    59 S   O    _O36    49     1.21717   127.02876   164.95844
   61    55 S   CM   _C18    51     1.33368   130.53167  -145.54150
   62    61 S   HC   _H19    52     1.08458   121.02076    -1.11557
   63    61 S   HC   _H20    53     1.08511   121.47283   179.01186
   64    40 S   CT   _C6_    57     1.51624   128.11345   158.95483
   65    64 S   HC   _H4_    58     1.09908   108.62466    39.37759
   66    44 S   OS   _O35    50     1.42561   115.75474  -174.94863
   67    64 S   CT   _C5_    59     1.54822   110.76507   -78.50705
   68    67 S   HC   _H3_    60     1.09486   111.17850   -48.34742
   69    67 S   CT   _C4_    61     1.52588   113.62694  -171.97366
   70    69 S   HC   _H10    62     1.09535   110.88007   -53.78196
   71    69 S   HC   _H11    63     1.09487   110.76796  -171.93895
   72    69 S   HC   _H12    64     1.09327   111.88291    68.16449
   73    67 S   OH   _O37    65     1.43193   107.74953    68.57872
   74    73 S   HO   _H21    66     0.97508   107.79324   173.96366
  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  13   5  19  20   9   6  15   7   9  14   8
   5   3   2   1   1   1  10  11   4   3   5   2   3   1   1   9
   4   1   7   6   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    49    53    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    64    46    49    50    51    52    53    54    43  
   38    39    40    41    46    49    53    43  
   36    37  
   37  
    0  
   39    40    41    42    44    56    64    65    67    46    49    53    43  
   40    41    64    46    43  
   41    42    44    45    47    66    56    57    58    64    65    67    68    69    73    46    49    53    43  
   42    44    45    47    48    55    59    66    56    64    65    67    46    49    50    51    52    53    54    43  
   44    45    47    66    64    46    49    53    43  
   44    46    56    64    65    67  
   45    47    48    55    59    60    66    61    56    57    58    64    46    49    53  
   47    48    55    59    66    56    46  
   49    50    51    52    53    54    47    64    66  
   48    55    59    60    66    61    62    63    56    57    58    64    65    67  
   55    59    66    61    56    57    58    64  
   50    51    52    53    54  
   51    52    53  
   52    53  
   53  
   54  
    0  
   59    60    66    61    62    63    56    57    58    64  
   57    58    64    65    67    68    69    73    59    61    66  
   58    64    65    67  
   64    65    67  
   60    66    61    62    63  
   66    61  
   62    63    66  
   63  
    0  
   65    67    68    69    70    71    72    73    74  
   67    68    69    73  
    0  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71    72    73    74  
   71    72    73  
   72    73  
   73  
   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   0.107500   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   0.116200   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   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
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   275.000  1.510
   33    46   268.000  1.529
   38    39   340.000  1.088
   38    40   260.000  1.509
   38    43   335.000  1.432
   40    41   275.000  1.510
   40    64   275.000  1.510
   40    43   335.000  1.432
   41    42   340.000  1.090
   41    44   268.000  1.529
   41    46   268.000  1.529
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    66   320.000  1.410
   47    48   340.000  1.090
   47    55   317.000  1.510
   47    56   268.000  1.529
   55    59   320.000  1.462
   55    61   549.000  1.340
   59    60   570.000  1.229
   59    66   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    73   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   46    49   268.000  1.529
   46    53   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    40.00000  115.04500
   33    38    40    60.00000  120.94000
   33    38    43    80.00000  116.47100
   33    46    41    58.35000  112.70000
   33    46    49    58.35000  112.70000
   33    46    53    50.00000  109.50000
   38    33    34    45.00000  109.38400
   38    40    41    60.00000  120.94000
   38    40    64    60.00000  120.94000
   38    40    43    15.00000   60.43100
   38    43    40    15.00000   59.14900
   40    38    39    37.50000  117.20000
   40    41    42    45.00000  109.38400
   40    41    44    70.00000  112.37300
   40    41    46    70.00000  112.37300
   40    64    56    70.00000  112.37300
   40    64    65    45.00000  109.38400
   40    64    67    70.00000  112.37300
   41    44    45    37.50000  110.70000
   41    44    47    58.35000  112.70000
   41    44    66    50.00000  109.50000
   41    46    49    58.35000  112.70000
   41    46    53    50.00000  109.50000
   44    41    42    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    55    70.00000  112.02700
   44    47    56    58.35000  112.70000
   44    66    59    83.00000  116.90000
   47    44    45    37.50000  110.70000
   47    55    59    65.00000  116.34900
   47    55    61    70.00000  124.00000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    64    58.35000  112.70000
   55    47    48    35.00000  109.50000
   55    59    60    80.00000  123.72100
   55    59    66    90.00000  111.29400
   55    61    62    35.00000  120.00000
   55    61    63    35.00000  120.00000
   66    44    45    35.00000  109.50000
   66    44    47    50.00000  109.50000
   66    59    60    83.00000  123.40000
   61    55    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   56    47    48    37.50000  110.70000
   56    47    55    70.00000  112.02700
   56    64    65    37.50000  110.70000
   56    64    67    58.35000  112.70000
   58    56    57    33.00000  107.80000
   64    40    41    58.35000  112.70000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    58.35000  112.70000
   64    67    73    50.00000  109.50000
   67    64    65    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    72    37.50000  110.70000
   67    73    74    55.00000  108.50000
   69    67    68    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    67    68    35.00000  109.50000
   73    67    69    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.37300
   46    41    42    37.50000  110.70000
   46    41    44    58.35000  112.70000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    37.50000  110.70000
   46    53    54    55.00000  108.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    46    49    50.00000  109.50000
   43    38    39    50.00000  114.27700
   43    38    40    15.00000   60.43100
   43    40    41    80.00000  116.47100
   43    40    64    80.00000  116.47100
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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    46    41   0.44750  1.0 1.0
   29    33    46    41  -0.17800 -1.0 2.0
   29    33    46    41   0.20200  1.0 3.0
   29    33    46    49   0.44750  1.0 1.0
   29    33    46    49  -0.17800 -1.0 2.0
   29    33    46    49   0.20200  1.0 3.0
   29    33    46    53   0.56750  1.0 1.0
   29    33    46    53  -0.07550 -1.0 2.0
   29    33    46    53   0.20000  1.0 3.0
   33    38   -40    41   0.56750  1.0 1.0
   33    38   -40    41  -0.07550 -1.0 2.0
   33    38   -40    41   0.20000  1.0 3.0
   33    38    40    64   0.56750  1.0 1.0
   33    38    40    64  -0.07550 -1.0 2.0
   33    38    40    64   0.20000  1.0 3.0
   33    38   -40    43   0.02550  1.0 1.0
   33    38   -40    43  -0.02600 -1.0 2.0
   33    38   -40    43   1.20400  1.0 3.0
   33    38   -43    40   0.06250  1.0 1.0
   33    38   -43    40  -0.01100 -1.0 2.0
   33    38   -43    40   0.28050  1.0 3.0
   33    46    49    50   0.15000  1.0 3.0
   33    46    49    51   0.15000  1.0 3.0
   33    46    49    52   0.15000  1.0 3.0
   33    46    53    54  -0.11600  1.0 1.0
   33    46    53    54  -0.09450 -1.0 2.0
   33    46    53    54   0.21250  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    43   0.23400  1.0 3.0
   34    33    46    41   0.15000  1.0 3.0
   34    33    46    49   0.15000  1.0 3.0
   34    33    46    53   0.23400  1.0 3.0
   38    33   -46    41   0.47050  1.0 1.0
   38    33   -46    41   0.03900 -1.0 2.0
   38    33   -46    41   0.20100  1.0 3.0
   38    33    46    49   0.47050  1.0 1.0
   38    33    46    49   0.03900 -1.0 2.0
   38    33    46    49   0.20100  1.0 3.0
   38    33    46    53   0.86500  1.0 1.0
   38    33    46    53  -0.17500 -1.0 2.0
   38    33    46    53   0.20800  1.0 3.0
   38    40    41    42   0.15000  1.0 3.0
   38    40    41    44   0.07850  1.0 1.0
   38    40    41    44  -0.03950 -1.0 2.0
   38    40    41    44   0.67350  1.0 3.0
   38    40   -41    46   0.07850  1.0 1.0
   38    40   -41    46  -0.03950 -1.0 2.0
   38    40   -41    46   0.67350  1.0 3.0
   38    40    64    56   0.07850  1.0 1.0
   38    40    64    56  -0.03950 -1.0 2.0
   38    40    64    56   0.67350  1.0 3.0
   38    40    64    65   0.15000  1.0 3.0
   38    40    64    67   0.07850  1.0 1.0
   38    40    64    67  -0.03950 -1.0 2.0
   38    40    64    67   0.67350  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    64   0.15000  1.0 3.0
   39    38   -40    43   0.23400  1.0 3.0
   39    38   -43    40   0.36800  1.0 3.0
   40    41    44    45   0.15000  1.0 3.0
   40    41    44    47   0.47050  1.0 1.0
   40    41    44    47   0.03900 -1.0 2.0
   40    41    44    47   0.20100  1.0 3.0
   40    41    44    66  -0.26800  1.0 1.0
   40    41    44    66   0.69150 -1.0 2.0
   40    41    44    66  -0.48750  1.0 3.0
   40    41   -46    33   0.47050  1.0 1.0
   40    41   -46    33   0.03900 -1.0 2.0
   40    41   -46    33   0.20100  1.0 3.0
   40    41    46    49   0.47050  1.0 1.0
   40    41    46    49   0.03900 -1.0 2.0
   40    41    46    49   0.20100  1.0 3.0
   40    41    46    53   0.86500  1.0 1.0
   40    41    46    53  -0.17500 -1.0 2.0
   40    41    46    53   0.20800  1.0 3.0
   40    64    67    68   0.15000  1.0 3.0
   40    64    67    69   0.47050  1.0 1.0
   40    64    67    69   0.03900 -1.0 2.0
   40    64    67    69   0.20100  1.0 3.0
   40    64    67    73   0.86500  1.0 1.0
   40    64    67    73  -0.17500 -1.0 2.0
   40    64    67    73   0.20800  1.0 3.0
   41    40    64    56   0.56750  1.0 1.0
   41    40    64    56  -0.07550 -1.0 2.0
   41    40    64    56   0.20000  1.0 3.0
   41    40    64    65   0.15000  1.0 3.0
   41    40    64    67   0.56750  1.0 1.0
   41    40    64    67  -0.07550 -1.0 2.0
   41    40    64    67   0.20000  1.0 3.0
   41    40   -43    38   0.06250  1.0 1.0
   41    40   -43    38  -0.01100 -1.0 2.0
   41    40   -43    38   0.28050  1.0 3.0
   41    44    47    48   0.15000  1.0 3.0
   41    44    47    55   0.34400  1.0 1.0
   41    44    47    55   0.09450 -1.0 2.0
   41    44    47    55   0.11100  1.0 3.0
   41    44   -47    56   0.56750  1.0 1.0
   41    44   -47    56  -0.07550 -1.0 2.0
   41    44   -47    56   0.20000  1.0 3.0
   41    44    66    59  -0.25900  1.0 1.0
   41    44    66    59  -0.47000 -1.0 2.0
   41    44    66    59   0.11750  1.0 3.0
   41    46    49    50   0.15000  1.0 3.0
   41    46    49    51   0.15000  1.0 3.0
   41    46    49    52   0.15000  1.0 3.0
   41    46    53    54  -0.11600  1.0 1.0
   41    46    53    54  -0.09450 -1.0 2.0
   41    46    53    54   0.21250  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   42    41    44    66   0.23400  1.0 3.0
   42    41    46    33   0.15000  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   42    41    46    53   0.23400  1.0 3.0
   44    41    46    33   0.56750  1.0 1.0
   44    41    46    33  -0.07550 -1.0 2.0
   44    41    46    33   0.20000  1.0 3.0
   44    41    46    49   0.56750  1.0 1.0
   44    41    46    49  -0.07550 -1.0 2.0
   44    41    46    49   0.20000  1.0 3.0
   44    41    46    53   0.86500  1.0 1.0
   44    41    46    53  -0.17500 -1.0 2.0
   44    41    46    53   0.20800  1.0 3.0
   44    47   -55    59   0.09700  1.0 1.0
   44    47   -55    59   0.15600 -1.0 2.0
   44    47   -55    59  -0.50800  1.0 3.0
   44    47    55    61   0.09850  1.0 1.0
   44    47    55    61   0.15250 -1.0 2.0
   44    47    55    61  -0.50650  1.0 3.0
   44    47    56    57   0.15000  1.0 3.0
   44    47    56    58   0.15000  1.0 3.0
   44    47    56    64   0.56750  1.0 1.0
   44    47    56    64  -0.07550 -1.0 2.0
   44    47    56    64   0.20000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    55   0.15000  1.0 3.0
   45    44    47    56   0.15000  1.0 3.0
   45    44    66    59   0.08050  1.0 3.0
   47    44   -66    59  -0.25900  1.0 1.0
   47    44   -66    59  -0.47000 -1.0 2.0
   47    44   -66    59   0.11750  1.0 3.0
   47    55    59    60  -0.64400  1.0 1.0
   47    55    59    60   0.26850 -1.0 2.0
   47    55   -59    66  -0.15000  1.0 1.0
   47    55   -59    66   0.89550 -1.0 2.0
   47    55   -59    66  -0.06900  1.0 3.0
   47    55    61    62   7.00000 -1.0 2.0
   47    55    61    63   7.00000 -1.0 2.0
   47    56   -64    40   0.47050  1.0 1.0
   47    56   -64    40   0.03900 -1.0 2.0
   47    56   -64    40   0.20100  1.0 3.0
   47    56    64    65   0.15000  1.0 3.0
   47    56    64    67   0.56750  1.0 1.0
   47    56    64    67  -0.07550 -1.0 2.0
   47    56    64    67   0.20000  1.0 3.0
   48    47    55    59   0.15000  1.0 3.0
   48    47    55    61   0.00000  1.0 1.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   48    47    56    64   0.15000  1.0 3.0
   55    47    56    57   0.15000  1.0 3.0
   55    47    56    58   0.15000  1.0 3.0
   55    47    56    64   0.34400  1.0 1.0
   55    47    56    64   0.09450 -1.0 2.0
   55    47    56    64   0.11100  1.0 3.0
   55    59   -66    44   2.00000 -1.0 2.0
   59    55    61    62   7.00000 -1.0 2.0
   59    55    61    63   7.00000 -1.0 2.0
   60    59    66    44   3.00000 -1.0 2.0
   66    44    47    48   0.23400  1.0 3.0
   66    44   -47    55   0.61850  1.0 1.0
   66    44   -47    55  -0.22750 -1.0 2.0
   66    44   -47    55   0.15300  1.0 3.0
   66    44    47    56   0.62750  1.0 1.0
   66    44    47    56  -0.30950 -1.0 2.0
   66    44    47    56   0.27300  1.0 3.0
   61    55    59    60   1.00000 -1.0 2.0
   61    55    59    66  -0.56150  1.0 1.0
   61    55    59    66   2.19150 -1.0 2.0
   56    47    55    59   0.09700  1.0 1.0
   56    47    55    59   0.15600 -1.0 2.0
   56    47    55    59  -0.50800  1.0 3.0
   56    47    55    61   0.09850  1.0 1.0
   56    47    55    61   0.15250 -1.0 2.0
   56    47    55    61  -0.50650  1.0 3.0
   56    64    67    68   0.15000  1.0 3.0
   56    64    67    69   0.56750  1.0 1.0
   56    64    67    69  -0.07550 -1.0 2.0
   56    64    67    69   0.20000  1.0 3.0
   56    64    67    73   0.86500  1.0 1.0
   56    64    67    73  -0.17500 -1.0 2.0
   56    64    67    73   0.20800  1.0 3.0
   57    56    64    40   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    67   0.15000  1.0 3.0
   58    56    64    40   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    67   0.15000  1.0 3.0
   64    40    41    42   0.15000  1.0 3.0
   64    40   -41    44   0.56750  1.0 1.0
   64    40   -41    44  -0.07550 -1.0 2.0
   64    40   -41    44   0.20000  1.0 3.0
   64    40    41    46   0.56750  1.0 1.0
   64    40    41    46  -0.07550 -1.0 2.0
   64    40    41    46   0.20000  1.0 3.0
   64    40   -43    38   0.06250  1.0 1.0
   64    40   -43    38  -0.01100 -1.0 2.0
   64    40   -43    38   0.28050  1.0 3.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    69    71   0.15000  1.0 3.0
   64    67    69    72   0.15000  1.0 3.0
   64    67    73    74  -0.11600  1.0 1.0
   64    67    73    74  -0.09450 -1.0 2.0
   64    67    73    74   0.21250  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    73   0.23400  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   69    67    73    74  -0.11600  1.0 1.0
   69    67    73    74  -0.09450 -1.0 2.0
   69    67    73    74   0.21250  1.0 3.0
   73    67    69    70   0.23400  1.0 3.0
   73    67    69    71   0.23400  1.0 3.0
   73    67    69    72   0.23400  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33   -38    40   0.07850  1.0 1.0
   46    33   -38    40  -0.03950 -1.0 2.0
   46    33   -38    40   0.67350  1.0 3.0
   46    33    38    43   0.02550  1.0 1.0
   46    33    38    43  -0.02600 -1.0 2.0
   46    33    38    43   1.20400  1.0 3.0
   46    41    44    45   0.15000  1.0 3.0
   46    41    44    47   0.56750  1.0 1.0
   46    41    44    47  -0.07550 -1.0 2.0
   46    41    44    47   0.20000  1.0 3.0
   46    41    44    66   0.62750  1.0 1.0
   46    41    44    66  -0.30950 -1.0 2.0
   46    41    44    66   0.27300  1.0 3.0
   49    46    53    54  -0.11600  1.0 1.0
   49    46    53    54  -0.09450 -1.0 2.0
   49    46    53    54   0.21250  1.0 3.0
   53    46    49    50   0.23400  1.0 3.0
   53    46    49    51   0.23400  1.0 3.0
   53    46    49    52   0.23400  1.0 3.0
   43    38   -40    41   0.02550  1.0 1.0
   43    38   -40    41  -0.02600 -1.0 2.0
   43    38   -40    41   1.20400  1.0 3.0
   43    38   -40    64   0.02550  1.0 1.0
   43    38   -40    64  -0.02600 -1.0 2.0
   43    38   -40    64   1.20400  1.0 3.0
   43    40    41    42   0.23400  1.0 3.0
   43    40    41    44   0.02550  1.0 1.0
   43    40    41    44  -0.02600 -1.0 2.0
   43    40    41    44   1.20400  1.0 3.0
   43    40   -41    46   0.02550  1.0 1.0
   43    40   -41    46  -0.02600 -1.0 2.0
   43    40   -41    46   1.20400  1.0 3.0
   43    40    64    56   0.02550  1.0 1.0
   43    40    64    56  -0.02600 -1.0 2.0
   43    40    64    56   1.20400  1.0 3.0
   43    40    64    65   0.23400  1.0 3.0
   43    40    64    67   0.02550  1.0 1.0
   43    40    64    67  -0.02600 -1.0 2.0
   43    40    64    67   1.20400  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
   47    59    55    61   1.10000 -1.0 2.0
   55    66    59    60  10.50000 -1.0 2.0
   62    63    61    55   1.10000 -1.0 2.0
END
