* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    228     416
    1     0 S   NP   _N1_     1    28.65560    96.14668   -23.22386
    2     1 S   H    _HN1     2     1.02828    36.74788   165.73528
    3     1 S   H    _H1_     3     1.02784   103.60826   -92.48976
    4     1 S   H    _H2_     4     1.02950    74.22912    13.07936
    5     1 S   CT   _CA1     5     1.50112   139.28770   116.20773
    6     5 S   HC   _HA1     6     1.09573   105.20101    88.35180
    7     5 S   CO3  _C1_     7     1.53789   112.45158   -31.88605
    8     7 S   O2Z  _O11     8     1.26371   115.00589   -42.69454
    9     7 S   O2Z  _O12     9     1.26240   114.94818   136.44114
   10     5 S   CT   _CB1    10     1.53081   107.42218  -153.66778
   11    10 S   HC   HB11    11     1.09832   109.37594   -49.79657
   12    10 S   HC   HB12    12     1.09813   110.44312    66.81063
   13    10 S   CT   _CG1    13     1.52988   112.60572  -170.78326
   14    13 S   HC   HG11    14     1.09583   110.61059   -65.35810
   15    13 S   HC   HG12    15     1.09669   109.80539    53.87156
   16    13 S   C    _CD1    16     1.51801   112.25010   174.31745
   17    16 S   O    _OE1    17     1.22727   123.29074     5.91559
   18    16 S   N    _N2_    18     1.38656   111.65317  -174.14134
   19    18 S   H    _HN2    19     1.01576   118.92842     1.84981
   20    18 S   CT1  _CA2    20     1.46198   123.40205   177.72256
   21    20 S   HC   _HA2    21     1.09735   109.38232     2.61524
   22    20 S   C    _C2_    22     1.53546   108.58176  -112.89779
   23    22 S   O    _O2_    23     1.23060   122.29681  -147.46857
   24    20 S   CT   _CB2    32     1.53309   111.59667   124.64985
   25    24 S   HC   HB21    33     1.09590   110.16257    56.15583
   26    24 S   HC   HB22    34     1.09445   109.96566   175.15964
   27    22 S   N    _N3_    24     1.38333   113.70207    39.92887
   28    27 S   H    _HN3    25     1.01585   119.59291    -3.25462
   29    24 S   S    _SG2    35     1.82718   111.54826   -64.72790
   30    27 S   CT   _CA3    26     1.45288   123.19265   177.14021
   31    30 S   HC   HA31    27     1.09550   107.49805   -64.76570
   32    30 S   HC   HA32    28     1.09557   107.99365    51.66699
   33    29 S   CT   _C8_    36     1.82788    99.55158   175.63107
   34    33 S   HC   _H4_    37     1.10082   103.65154   -57.75567
   35    30 S   CO3  _C3_    29     1.52957   114.09933   173.66897
   36    35 S   O2Z  _O31    30     1.26375   116.07461    -0.87200
   37    35 S   O2Z  _O32    31     1.26431   114.40883   179.19473
   38    33 S   CT   _C7_    38     1.54117   118.10905    59.56431
   39    38 S   HC   _H3_    39     1.09804   108.38187   -83.77836
   40    38 S   CM   _C6_    40     1.52429   103.21473   159.22267
   41    40 S   CM   _C5_    41     1.35186   119.15715  -178.84954
   42    40 S   CT   _C10    62     1.50910   109.92377    -3.22477
   43    42 S   HC   _H5_    63     1.09716   108.59225    96.10186
   44    41 S   C3T  _C15    42     1.50109   117.34650     4.76374
   45    41 S   CT   _C4_    58     1.50282   124.23253  -179.10125
   46    45 S   HC   _H6_    59     1.09474   110.45174   125.29366
   47    45 S   HC   _H7_    60     1.09174   113.39148     7.00936
   48    45 S   HC   _H8_    61     1.09454   110.32834  -114.49718
   49    33 S   CT   _C9_    64     1.55354   116.17134  -173.99374
   50    42 S   OH   _O33    73     1.41503   112.88927  -143.01961
   51    50 S   HO   _H9_    74     0.97191   107.65433  -179.23690
   52    44 S   C3T  _C16    43     1.52486   114.83347   -97.70916
   53    52 S   HC   _H16    44     1.08327   119.38118   139.26961
   54    52 S   HC   _H17    45     1.08471   118.99399    -6.76387
   55    44 S   CT   _C14    49     1.53850   112.67822    44.23649
   56    49 S   CT   _C11    65     1.54528   113.89620   -53.38048
   57    56 S   HC   _H10    66     1.09479   111.69991    62.48232
   58    56 S   HC   _H11    67     1.09345   112.52003   -58.93613
   59    56 S   HC   _H12    68     1.09628   110.96674  -178.77731
   60    49 S   CT   _C12    69     1.53905   111.86180    69.30259
   61    60 S   HC   _H13    70     1.09519   111.49797   -66.87315
   62    60 S   HC   _H14    71     1.09558   111.16173   173.16964
   63    60 S   HC   _H15    72     1.09568   111.37536    53.37079
   64    44 S   C3T  _C17    46     1.51661   121.77981  -165.31229
   65    64 S   HC   _H18    47     1.08223   120.58385    -4.93455
   66    64 S   HC   _H19    48     1.08497   118.55636  -151.18912
   67    38 S   CO4  _C13    50     1.53599   121.21367    40.48603
   68    67 S   O    _O34    51     1.23091   123.18081   -18.58455
   69    55 S   CT   _C18    52     1.53259   110.59006    79.71280
   70    69 S   HC   _H20    53     1.09564   110.94124    60.09079
   71    69 S   HC   _H21    54     1.09521   111.82991   -60.84311
   72    69 S   HC   _H22    55     1.09612   111.27309   178.48483
   73    55 S   OH   _O35    56     1.42657   111.00528  -159.65337
   74    73 S   HO   _H23    57     0.97317   107.82239  -176.84291
  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
  20   8   2   1   1  16   7  18  19  15   5  19   6   2   1   1
  11   3   1   9   5   4  11   7   3   2   1   3   2   1   1   5
   1   1   7   2   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    67    42    49    56    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    55    67    68    42    43    49    56    57    58    59    60    61    62    63    50  
   38    39    40    67    42    49    56    60  
   36    37  
   37  
    0  
   39    40    41    44    55    67    68    69    73    45    42    43    49    56    60    50  
   40    41    55    67    68    42    49  
   41    44    52    64    55    67    68    45    46    47    48    42    43    49    56    60    50    51  
   44    52    53    54    64    65    66    55    67    69    73    45    46    47    48    42    43    49    50  
   43    49    56    57    58    59    60    61    62    63    50    51    44    45    67  
   49    56    60    50    51  
   52    53    54    64    65    66    55    67    68    69    70    71    72    73    74    45    46    47    48  
   46    47    48    52    55    64  
   47    48  
   48  
    0  
   56    57    58    59    60    61    62    63    50    51    67  
   51    56    60  
    0  
   53    54    64    65    66    55    67    69    73  
   54    64    65    66    55  
   64    65    66    55  
   67    68    69    70    71    72    73    74    64    65    66  
   57    58    59    60    61    62    63  
   58    59    60  
   59    60  
   60  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    69    73  
   66  
    0  
   68    69    70    71    72    73    74  
   69    73  
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    67   317.000  1.522
   40    41   549.000  1.340
   40    42   317.000  1.510
   41    44   305.000  1.480
   41    45   317.000  1.510
   44    52   260.000  1.509
   44    64   260.000  1.509
   44    55   275.000  1.510
   52    53   340.000  1.088
   52    54   340.000  1.088
   52    64   260.000  1.509
   64    65   340.000  1.088
   64    66   340.000  1.088
   55    67   317.000  1.522
   55    69   268.000  1.529
   55    73   320.000  1.410
   67    68   570.000  1.229
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    50   320.000  1.410
   49    56   268.000  1.529
   49    60   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   50    51   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    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    67    63.00000  111.10000
   33    49    42    58.35000  112.70000
   33    49    56    58.35000  112.70000
   33    49    60    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    70.00000  124.00000
   38    40    42    65.00000  117.92700
   38    67    55    70.00000  116.00000
   38    67    68    80.00000  120.40000
   40    38    39    35.00000  109.50000
   40    41    44    55.00000  125.06700
   40    41    45    70.00000  124.00000
   40    42    43    35.00000  109.50000
   40    42    49    70.00000  112.02700
   40    42    50    90.00000  110.39200
   41    44    52    60.00000  120.58800
   41    44    64    60.00000  120.58800
   41    44    55    65.00000  117.55000
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   44    52    53    37.50000  117.20000
   44    52    54    37.50000  117.20000
   44    52    64    10.00000   60.00500
   44    64    52    10.00000   60.00500
   44    64    65    37.50000  117.20000
   44    64    66    37.50000  117.20000
   44    55    67    63.00000  111.10000
   44    55    69    70.00000  112.37300
   44    55    73    50.00000  109.50000
   52    64    65    37.50000  117.20000
   52    64    66    37.50000  117.20000
   54    52    53    35.00000  114.30000
   64    44    52    10.00000   60.00500
   64    52    53    37.50000  117.20000
   64    52    54    37.50000  117.20000
   66    64    65    35.00000  114.30000
   55    44    52    60.00000  120.94000
   55    44    64    60.00000  120.94000
   55    67    68    80.00000  120.40000
   55    69    70    37.50000  110.70000
   55    69    71    37.50000  110.70000
   55    69    72    37.50000  110.70000
   55    73    74    55.00000  108.50000
   67    38    39    35.00000  109.50000
   67    38    40    70.00000  109.06800
   69    55    67    63.00000  111.10000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    55    67    90.00000  109.61100
   73    55    69    50.00000  109.50000
   45    41    44    65.00000  117.92700
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   42    40    41    70.00000  124.00000
   42    49    56    58.35000  112.70000
   42    49    60    58.35000  112.70000
   42    50    51    55.00000  108.50000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    42    43    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    37.50000  110.70000
   49    60    61    37.50000  110.70000
   49    60    62    37.50000  110.70000
   49    60    63    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    49    56    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
   50    42    43    35.00000  109.50000
   50    42    49    50.00000  109.50000
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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    67   0.56750  1.0 1.0
   29    33    38    67  -0.07550 -1.0 2.0
   29    33    38    67   0.20000  1.0 3.0
   29    33    49    42   0.44750  1.0 1.0
   29    33    49    42  -0.17800 -1.0 2.0
   29    33    49    42   0.20200  1.0 3.0
   29    33    49    56   0.44750  1.0 1.0
   29    33    49    56  -0.17800 -1.0 2.0
   29    33    49    56   0.20200  1.0 3.0
   29    33    49    60   0.44750  1.0 1.0
   29    33    49    60  -0.17800 -1.0 2.0
   29    33    49    60   0.20200  1.0 3.0
   33    38    40    41   0.09850  1.0 1.0
   33    38    40    41   0.15250 -1.0 2.0
   33    38    40    41  -0.50650  1.0 3.0
   33    38   -40    42   0.46850  1.0 1.0
   33    38   -40    42   0.08550 -1.0 2.0
   33    38   -40    42   0.09800  1.0 3.0
   33    38    67    55   0.60050  1.0 1.0
   33    38    67    55   0.05600 -1.0 2.0
   33    38    67    55   0.26150  1.0 3.0
   33    38    67    68   0.30150 -1.0 2.0
   33    49    56    57   0.15000  1.0 3.0
   33    49    56    58   0.15000  1.0 3.0
   33    49    56    59   0.15000  1.0 3.0
   33    49    60    61   0.15000  1.0 3.0
   33    49    60    62   0.15000  1.0 3.0
   33    49    60    63   0.15000  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    67  -0.11250  1.0 3.0
   34    33    49    42   0.15000  1.0 3.0
   34    33    49    56   0.15000  1.0 3.0
   34    33    49    60   0.15000  1.0 3.0
   38    33   -49    42   0.56750  1.0 1.0
   38    33   -49    42  -0.07550 -1.0 2.0
   38    33   -49    42   0.20000  1.0 3.0
   38    33    49    56   0.56750  1.0 1.0
   38    33    49    56  -0.07550 -1.0 2.0
   38    33    49    56   0.20000  1.0 3.0
   38    33    49    60   0.56750  1.0 1.0
   38    33    49    60  -0.07550 -1.0 2.0
   38    33    49    60   0.20000  1.0 3.0
   38    40    41    44   7.00000 -1.0 2.0
   38    40    41    45   7.00000 -1.0 2.0
   38    40    42    43   0.34800  1.0 3.0
   38    40   -42    49   0.46850  1.0 1.0
   38    40   -42    49   0.08550 -1.0 2.0
   38    40   -42    49   0.09800  1.0 3.0
   38    40    42    50   0.18000  1.0 1.0
   38    40    42    50   0.16450 -1.0 2.0
   38    40    42    50   0.04450  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.34800  1.0 3.0
   39    38    67    55   0.00000  1.0 1.0
   39    38    67    68   0.00000  1.0 1.0
   40    38    67    55   0.65300  1.0 1.0
   40    38    67    55  -0.03850 -1.0 2.0
   40    38    67    55   0.33900  1.0 3.0
   40    38    67    68   0.30150 -1.0 2.0
   40    41    44    52   0.09850  1.0 1.0
   40    41    44    52   0.15250 -1.0 2.0
   40    41    44    52  -0.50650  1.0 3.0
   40    41    44    64   0.09850  1.0 1.0
   40    41    44    64   0.15250 -1.0 2.0
   40    41    44    64  -0.50650  1.0 3.0
   40    41   -44    55   0.09850  1.0 1.0
   40    41   -44    55   0.15250 -1.0 2.0
   40    41   -44    55  -0.50650  1.0 3.0
   40    41    45    46   0.00000  1.0 1.0
   40    41    45    47   0.00000  1.0 1.0
   40    41    45    48   0.00000  1.0 1.0
   40    42   -49    33   0.34400  1.0 1.0
   40    42   -49    33   0.09450 -1.0 2.0
   40    42   -49    33   0.11100  1.0 3.0
   40    42    49    56   0.34400  1.0 1.0
   40    42    49    56   0.09450 -1.0 2.0
   40    42    49    56   0.11100  1.0 3.0
   40    42    49    60   0.34400  1.0 1.0
   40    42    49    60   0.09450 -1.0 2.0
   40    42    49    60   0.11100  1.0 3.0
   40    42    50    51  -0.07800  1.0 1.0
   40    42    50    51  -0.21500 -1.0 2.0
   40    42    50    51  -0.03150  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    49   0.09850  1.0 1.0
   41    40    42    49   0.15250 -1.0 2.0
   41    40    42    49  -0.50650  1.0 3.0
   41    40    42    50   0.67800  1.0 1.0
   41    40    42    50   0.47050 -1.0 2.0
   41    40    42    50  -0.62500  1.0 3.0
   41    44    52    53   0.15000  1.0 3.0
   41    44    52    54   0.15000  1.0 3.0
   41    44   -52    64   0.34400  1.0 1.0
   41    44   -52    64   0.09450 -1.0 2.0
   41    44   -52    64   0.11100  1.0 3.0
   41    44   -64    52   0.34400  1.0 1.0
   41    44   -64    52   0.09450 -1.0 2.0
   41    44   -64    52   0.11100  1.0 3.0
   41    44    64    65   0.15000  1.0 3.0
   41    44    64    66   0.15000  1.0 3.0
   41    44    55    67  -0.98800  1.0 1.0
   41    44    55    67   0.48800 -1.0 2.0
   41    44    55    67   0.76800  1.0 3.0
   41    44    55    69   0.34400  1.0 1.0
   41    44    55    69   0.09450 -1.0 2.0
   41    44    55    69   0.11100  1.0 3.0
   41    44    55    73   1.05650  1.0 1.0
   41    44    55    73   0.15600 -1.0 2.0
   41    44    55    73   0.53150  1.0 3.0
   44    41    45    46   0.34800  1.0 3.0
   44    41    45    47   0.34800  1.0 3.0
   44    41    45    48   0.34800  1.0 3.0
   44    52   -64    65   0.15000  1.0 3.0
   44    52   -64    66   0.15000  1.0 3.0
   44    55   -67    38   0.60050  1.0 1.0
   44    55   -67    38   0.05600 -1.0 2.0
   44    55   -67    38   0.26150  1.0 3.0
   44    55    67    68   0.30150 -1.0 2.0
   44    55    69    70   0.15000  1.0 3.0
   44    55    69    71   0.15000  1.0 3.0
   44    55    69    72   0.15000  1.0 3.0
   44    55    73    74  -0.11600  1.0 1.0
   44    55    73    74  -0.09450 -1.0 2.0
   44    55    73    74   0.21250  1.0 3.0
   52    44   -64    65   0.15000  1.0 3.0
   52    44   -64    66   0.15000  1.0 3.0
   52    44    55    67  -0.95700  1.0 1.0
   52    44    55    67  -0.18200 -1.0 2.0
   52    44    55    67   0.29450  1.0 3.0
   52    44    55    69   0.07850  1.0 1.0
   52    44    55    69  -0.03950 -1.0 2.0
   52    44    55    69   0.67350  1.0 3.0
   52    44    55    73   0.86500  1.0 1.0
   52    44    55    73  -0.17500 -1.0 2.0
   52    44    55    73   0.20800  1.0 3.0
   53    52   -64    44   0.15000  1.0 3.0
   53    52    64    65   0.15000  1.0 3.0
   53    52    64    66   0.15000  1.0 3.0
   54    52   -64    44   0.15000  1.0 3.0
   54    52    64    65   0.15000  1.0 3.0
   54    52    64    66   0.15000  1.0 3.0
   64    44   -52    53   0.15000  1.0 3.0
   64    44   -52    54   0.15000  1.0 3.0
   64    44    55    67  -0.95700  1.0 1.0
   64    44    55    67  -0.18200 -1.0 2.0
   64    44    55    67   0.29450  1.0 3.0
   64    44    55    69   0.07850  1.0 1.0
   64    44    55    69  -0.03950 -1.0 2.0
   64    44    55    69   0.67350  1.0 3.0
   64    44    55    73   0.86500  1.0 1.0
   64    44    55    73  -0.17500 -1.0 2.0
   64    44    55    73   0.20800  1.0 3.0
   55    44    52    53   0.15000  1.0 3.0
   55    44    52    54   0.15000  1.0 3.0
   55    44   -52    64   0.07850  1.0 1.0
   55    44   -52    64  -0.03950 -1.0 2.0
   55    44   -52    64   0.67350  1.0 3.0
   55    44   -64    52   0.07850  1.0 1.0
   55    44   -64    52  -0.03950 -1.0 2.0
   55    44   -64    52   0.67350  1.0 3.0
   55    44    64    65   0.15000  1.0 3.0
   55    44    64    66   0.15000  1.0 3.0
   67    38   -40    41  -0.51250  1.0 1.0
   67    38   -40    41  -0.88800 -1.0 2.0
   67    38   -40    41   0.08850  1.0 3.0
   67    38    40    42   0.17250  1.0 1.0
   67    38    40    42  -0.04100 -1.0 2.0
   67    38    40    42  -0.33850  1.0 3.0
   67    55    69    70  -0.11250  1.0 3.0
   67    55    69    71  -0.11250  1.0 3.0
   67    55    69    72  -0.11250  1.0 3.0
   67    55    73    74   0.91850  1.0 1.0
   67    55    73    74   0.57950  1.0 3.0
   69    55    67    38   0.60050  1.0 1.0
   69    55    67    38   0.05600 -1.0 2.0
   69    55    67    38   0.26150  1.0 3.0
   69    55    67    68   0.30150 -1.0 2.0
   69    55    73    74  -0.11600  1.0 1.0
   69    55    73    74  -0.09450 -1.0 2.0
   69    55    73    74   0.21250  1.0 3.0
   73    55    67    38   0.55300  1.0 1.0
   73    55    67    38   1.25850 -1.0 2.0
   73    55    67    38  -0.23600  1.0 3.0
   73    55    67    68   0.30150 -1.0 2.0
   73    55    69    70   0.23400  1.0 3.0
   73    55    69    71   0.23400  1.0 3.0
   73    55    69    72   0.23400  1.0 3.0
   45    41    44    52   0.46850  1.0 1.0
   45    41    44    52   0.08550 -1.0 2.0
   45    41    44    52   0.09800  1.0 3.0
   45    41    44    64   0.46850  1.0 1.0
   45    41    44    64   0.08550 -1.0 2.0
   45    41    44    64   0.09800  1.0 3.0
   45    41    44    55   0.46850  1.0 1.0
   45    41    44    55   0.08550 -1.0 2.0
   45    41    44    55   0.09800  1.0 3.0
   42    40    41    44   7.00000 -1.0 2.0
   42    40    41    45   7.00000 -1.0 2.0
   42    49    56    57   0.15000  1.0 3.0
   42    49    56    58   0.15000  1.0 3.0
   42    49    56    59   0.15000  1.0 3.0
   42    49    60    61   0.15000  1.0 3.0
   42    49    60    62   0.15000  1.0 3.0
   42    49    60    63   0.15000  1.0 3.0
   43    42    49    33   0.15000  1.0 3.0
   43    42    49    56   0.15000  1.0 3.0
   43    42    49    60   0.15000  1.0 3.0
   43    42    50    51   0.19450  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   0.34400  1.0 1.0
   49    33   -38    40   0.09450 -1.0 2.0
   49    33   -38    40   0.11100  1.0 3.0
   49    33    38    67  -0.95700  1.0 1.0
   49    33    38    67  -0.18200 -1.0 2.0
   49    33    38    67   0.29450  1.0 3.0
   49    42    50    51  -0.11600  1.0 1.0
   49    42    50    51  -0.09450 -1.0 2.0
   49    42    50    51   0.21250  1.0 3.0
   56    49    60    61   0.15000  1.0 3.0
   56    49    60    62   0.15000  1.0 3.0
   56    49    60    63   0.15000  1.0 3.0
   60    49    56    57   0.15000  1.0 3.0
   60    49    56    58   0.15000  1.0 3.0
   60    49    56    59   0.15000  1.0 3.0
   50    42    49    33   0.86500  1.0 1.0
   50    42    49    33  -0.17500 -1.0 2.0
   50    42    49    33   0.20800  1.0 3.0
   50    42    49    56   0.86500  1.0 1.0
   50    42    49    56  -0.17500 -1.0 2.0
   50    42    49    56   0.20800  1.0 3.0
   50    42    49    60   0.86500  1.0 1.0
   50    42    49    60  -0.17500 -1.0 2.0
   50    42    49    60   0.20800  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
   38    42    40    41   1.10000 -1.0 2.0
   44    45    41    40   1.10000 -1.0 2.0
   38    55    67    68  10.50000 -1.0 2.0
END
