* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    136    221     409
    1     0 S   NP   _N1_     1    28.53155    95.22640   -20.80173
    2     1 S   H    _HN1     2     1.02836    36.03628   152.75077
    3     1 S   H    _H1_     3     1.02780    89.00139   -84.15212
    4     1 S   H    _H2_     4     1.02956    84.97107    24.34427
    5     1 S   CT   _CA1     5     1.50113   146.57413   144.47963
    6     5 S   HC   _HA1     6     1.09574   105.23162    64.34588
    7     5 S   CO3  _C1_     7     1.53779   112.38253   -55.88979
    8     7 S   O2Z  _O11     8     1.26362   114.99801   -44.19993
    9     7 S   O2Z  _O12     9     1.26235   114.91644   134.97322
   10     5 S   CT   _CB1    10     1.53091   107.43693  -177.72936
   11    10 S   HC   HB11    11     1.09827   109.33892   -50.64079
   12    10 S   HC   HB12    12     1.09819   110.42368    65.91181
   13    10 S   CT   _CG1    13     1.53019   112.67121  -171.71715
   14    13 S   HC   HG11    14     1.09594   110.48898   -64.11772
   15    13 S   HC   HG12    15     1.09655   109.94838    55.12199
   16    13 S   C    _CD1    16     1.51811   112.28052   175.49854
   17    16 S   O    _OE1    17     1.22731   123.25293     0.13988
   18    16 S   N    _N2_    18     1.38653   111.67788  -179.81762
   19    18 S   H    _HN2    19     1.01588   119.05456     1.06422
   20    18 S   CT1  _CA2    20     1.46159   123.29266   179.55501
   21    20 S   HC   _HA2    21     1.09749   109.34237    -7.00779
   22    20 S   C    _C2_    22     1.53482   108.58520  -122.52491
   23    22 S   O    _O2_    23     1.23035   122.13208  -146.78773
   24    20 S   CT   _CB2    32     1.53576   111.75040   114.94001
   25    24 S   HC   HB21    33     1.09467   109.58925    56.35790
   26    24 S   HC   HB22    34     1.09308   109.37819   175.17079
   27    22 S   N    _N3_    24     1.38469   113.49804    40.67625
   28    27 S   H    _HN3    25     1.01510   118.96295    -0.77253
   29    24 S   S    _SG2    35     1.82917   111.30245   -64.48657
   30    27 S   CT   _CA3    26     1.45455   123.49297   174.89788
   31    30 S   HC   HA31    27     1.09518   109.31916    23.24047
   32    30 S   HC   HA32    28     1.09497   107.11837   140.27152
   33    29 S   CT   _C5_    36     1.85923   102.55004  -172.93220
   34    30 S   CO3  _C3_    29     1.52919   112.99062  -100.27396
   35    34 S   O2Z  _O31    30     1.26410   115.35132   -45.62191
   36    34 S   O2Z  _O32    31     1.26346   115.01343   135.25253
   37    33 S   CT   _C6_    37     1.54763   113.15961    57.72615
   38    37 S   HC   _H11    38     1.09980   109.17543   -74.34031
   39    37 S   HC   _H12    39     1.10096   108.52666   174.30171
   40    33 S   CT   _C11    57     1.56593   111.31844  -178.33117
   41    40 S   HC   _H7_    58     1.10016   108.26747  -179.50386
   42    33 S   CT   _C4_    69     1.55370   107.46532   -58.83044
   43    42 S   HC   _H8_    70     1.09503   112.80377   -47.72199
   44    42 S   HC   _H9_    71     1.09677   110.66688  -168.57769
   45    42 S   HC   _H10    72     1.09592   112.26826    72.89278
   46    37 S   CT   _C7_    40     1.52998   120.23707    49.32414
   47    46 S   HC   _H3_    41     1.09567   111.15417   -64.22577
   48    46 S   CT   _C8_    42     1.52910   114.61428    62.02963
   49    48 S   HC   _H4_    43     1.09938   109.66996    58.35849
   50    46 S   OH   _O37    67     1.43687   105.10805  -179.56031
   51    50 S   HO   _H19    68     0.97282   107.63932    65.28574
   52    48 S   CM   _C17    44     1.50443   116.20416   179.12957
   53    52 S   CO4  _C16    45     1.47563   107.95307   151.75307
   54    53 S   O    _O36    46     1.21677   127.63821   166.15626
   55    52 S   CM   _C18    64     1.33662   132.36515   -25.57062
   56    55 S   HC   _H17    65     1.08294   122.12706    -1.57159
   57    55 S   HC   _H18    66     1.08588   121.51873   178.52501
   58    53 S   OS   _O35    47     1.35796   106.21867   -12.75971
   59    48 S   CT   _C9_    48     1.52590   114.45451   -66.40001
   60    59 S   HC   _H5_    49     1.09611   111.99821   -44.49355
   61    59 S   CT   _C10    50     1.53607   115.65031    84.24299
   62    61 S   HC   _H6_    51     1.10174   106.81321    67.78682
   63    61 S   CM   _C14    52     1.52622   114.57582  -176.34913
   64    63 S   CM   _C13    53     1.33574   114.43847   140.79794
   65    64 S   HC   _H13    54     1.07623   128.79683   176.75086
   66    63 S   CT   _C15    59     1.49454   123.27403   -43.05466
   67    66 S   HC   _H14    60     1.09552   111.47168  -179.68721
   68    66 S   HC   _H15    61     1.09421   111.00578    60.41338
   69    64 S   CO4  _C12    55     1.46180   106.12511    -0.10468
   70    69 S   O    _O33    56     1.22242   121.84239   168.54020
   71    66 S   OH   _O34    62     1.41994   109.24242   -60.57793
   72    71 S   HO   _H16    63     0.97218   107.01523   175.09208
  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  13   5   4   3
  20   2   1   1  18   7   6  18   8   6   2   1   1  12   6  15
   8   3   1   9   8   3   4   1   1   5   7   3  10   4   9   7
   3   5   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    61    69    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    59    61    62    63    64    69    70    40    41    50    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    49    52    59    61    69    40    41    50    51    42    43    44    45  
   39    46    47    48    40    50    42  
   46    47    48    40    50    42  
   41    66    42    43    44    45    46    48    58    59    60    61    62    63    64    65    69    70  
   42    59    61    62    63    64    69    70  
   43    44    45    46    61    69  
   44    45  
   45  
    0  
   47    48    49    52    53    58    59    60    61    55    50    51  
   48    49    52    59    50    51  
   49    52    53    54    58    59    60    61    62    63    55    56    57    50    51  
   52    53    58    59    60    61    55    50  
   51    52    59  
    0  
   53    54    58    59    60    61    55    56    57  
   54    58    59    60    61    55    56    57  
   58    59    55  
   56    57    58    59  
   57  
    0  
   59    60    61    62    63  
   60    61    62    63    64    69    66  
   61    62    63  
   62    63    64    65    69    70    66    67    68    71  
   63    64    69    66  
   64    65    69    70    66    67    68    71    72  
   65    69    70    66    67    68    71  
   69    70    66  
   67    68    71    72    69  
   68    71    72  
   71    72  
   70  
    0  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   320.000  1.410
   48    49   340.000  1.090
   48    52   317.000  1.510
   48    59   268.000  1.529
   52    53   320.000  1.462
   52    55   549.000  1.340
   53    54   570.000  1.229
   53    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    40   268.000  1.529
   63    64   549.000  1.340
   63    66   317.000  1.510
   64    65   340.000  1.080
   64    69   320.000  1.462
   69    70   570.000  1.229
   69    40   317.000  1.522
   40    41   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   553.000  0.945
   55    56   340.000  1.080
   55    57   340.000  1.080
   50    51   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    61    58.35000  112.70000
   33    40    69    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    58.35000  112.70000
   37    46    50    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    52    70.00000  112.02700
   46    48    59    58.35000  112.70000
   46    50    51    55.00000  108.50000
   48    46    47    37.50000  110.70000
   48    52    53    65.00000  116.34900
   48    52    55    70.00000  124.00000
   48    59    58    50.00000  109.50000
   48    59    60    37.50000  110.70000
   48    59    61    58.35000  112.70000
   52    48    49    35.00000  109.50000
   52    53    54    80.00000  123.72100
   52    53    58    90.00000  111.29400
   52    55    56    35.00000  120.00000
   52    55    57    35.00000  120.00000
   53    58    59    83.00000  116.90000
   58    53    54    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   59    48    49    37.50000  110.70000
   59    48    52    70.00000  112.02700
   59    61    62    37.50000  110.70000
   59    61    63    70.00000  112.02700
   59    61    40    58.35000  112.70000
   61    59    60    37.50000  110.70000
   61    63    64    70.00000  124.00000
   61    63    66    65.00000  117.92700
   61    40    69    63.00000  111.10000
   61    40    41    37.50000  110.70000
   63    61    62    35.00000  109.50000
   63    64    65    35.00000  120.00000
   63    64    69    65.00000  118.96000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    71    90.00000  110.39200
   64    69    70    80.00000  123.72100
   64    69    40    65.00000  118.62400
   69    64    65    40.00000  117.72500
   69    40    41    35.00000  109.50000
   40    33    37    58.35000  112.70000
   40    61    62    37.50000  110.70000
   40    61    63    70.00000  112.02700
   40    69    70    80.00000  120.40000
   66    63    64    70.00000  124.00000
   66    71    72    55.00000  108.50000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   55    52    53    65.00000  118.96000
   57    55    56    35.00000  117.00000
   50    46    47    35.00000  109.50000
   50    46    48    50.00000  109.50000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    61   0.44750  1.0 1.0
   29    33    40    61  -0.17800 -1.0 2.0
   29    33    40    61   0.20200  1.0 3.0
   29    33    40    69   0.56750  1.0 1.0
   29    33    40    69  -0.07550 -1.0 2.0
   29    33    40    69   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.56750  1.0 1.0
   33    37    46    48  -0.07550 -1.0 2.0
   33    37    46    48   0.20000  1.0 3.0
   33    37    46    50   0.86500  1.0 1.0
   33    37    46    50  -0.17500 -1.0 2.0
   33    37    46    50   0.20800  1.0 3.0
   37    33    40    61   0.56750  1.0 1.0
   37    33    40    61  -0.07550 -1.0 2.0
   37    33    40    61   0.20000  1.0 3.0
   37    33    40    69  -0.95700  1.0 1.0
   37    33    40    69  -0.18200 -1.0 2.0
   37    33    40    69   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    48    49   0.15000  1.0 3.0
   37    46    48    52   0.34400  1.0 1.0
   37    46    48    52   0.09450 -1.0 2.0
   37    46    48    52   0.11100  1.0 3.0
   37    46    48    59   0.56750  1.0 1.0
   37    46    48    59  -0.07550 -1.0 2.0
   37    46    48    59   0.20000  1.0 3.0
   37    46    50    51  -0.11600  1.0 1.0
   37    46    50    51  -0.09450 -1.0 2.0
   37    46    50    51   0.21250  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    50   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    50   0.23400  1.0 3.0
   46    48    52    53   0.09700  1.0 1.0
   46    48    52    53   0.15600 -1.0 2.0
   46    48    52    53  -0.50800  1.0 3.0
   46    48    52    55   0.09850  1.0 1.0
   46    48    52    55   0.15250 -1.0 2.0
   46    48    52    55  -0.50650  1.0 3.0
   46    48    59    58   0.62750  1.0 1.0
   46    48    59    58  -0.30950 -1.0 2.0
   46    48    59    58   0.27300  1.0 3.0
   46    48    59    60   0.15000  1.0 3.0
   46    48    59    61   0.56750  1.0 1.0
   46    48    59    61  -0.07550 -1.0 2.0
   46    48    59    61   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    48    59   0.15000  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   48    46    50    51  -0.11600  1.0 1.0
   48    46    50    51  -0.09450 -1.0 2.0
   48    46    50    51   0.21250  1.0 3.0
   48    52    53    54  -0.64400  1.0 1.0
   48    52    53    54   0.26850 -1.0 2.0
   48    52   -53    58  -0.15000  1.0 1.0
   48    52   -53    58   0.89550 -1.0 2.0
   48    52   -53    58  -0.06900  1.0 3.0
   48    52    55    56   7.00000 -1.0 2.0
   48    52    55    57   7.00000 -1.0 2.0
   48    59    61    62   0.15000  1.0 3.0
   48    59    61    63   0.34400  1.0 1.0
   48    59    61    63   0.09450 -1.0 2.0
   48    59    61    63   0.11100  1.0 3.0
   48    59    61    40   0.56750  1.0 1.0
   48    59    61    40  -0.07550 -1.0 2.0
   48    59    61    40   0.20000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    55   0.00000  1.0 1.0
   49    48    59    58   0.23400  1.0 3.0
   49    48    59    60   0.15000  1.0 3.0
   49    48    59    61   0.15000  1.0 3.0
   52    48   -59    58   0.61850  1.0 1.0
   52    48   -59    58  -0.22750 -1.0 2.0
   52    48   -59    58   0.15300  1.0 3.0
   52    48    59    60   0.15000  1.0 3.0
   52    48    59    61   0.34400  1.0 1.0
   52    48    59    61   0.09450 -1.0 2.0
   52    48    59    61   0.11100  1.0 3.0
   52    53   -58    59   2.00000 -1.0 2.0
   53    52    55    56   7.00000 -1.0 2.0
   53    52    55    57   7.00000 -1.0 2.0
   53    58   -59    48  -0.25900  1.0 1.0
   53    58   -59    48  -0.47000 -1.0 2.0
   53    58   -59    48   0.11750  1.0 3.0
   53    58    59    60   0.08050  1.0 3.0
   53    58    59    61  -0.25900  1.0 1.0
   53    58    59    61  -0.47000 -1.0 2.0
   53    58    59    61   0.11750  1.0 3.0
   54    53    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    63   0.61850  1.0 1.0
   58    59    61    63  -0.22750 -1.0 2.0
   58    59    61    63   0.15300  1.0 3.0
   58    59    61    40   0.62750  1.0 1.0
   58    59    61    40  -0.30950 -1.0 2.0
   58    59    61    40   0.27300  1.0 3.0
   59    48   -52    53   0.09700  1.0 1.0
   59    48   -52    53   0.15600 -1.0 2.0
   59    48   -52    53  -0.50800  1.0 3.0
   59    48    52    55   0.09850  1.0 1.0
   59    48    52    55   0.15250 -1.0 2.0
   59    48    52    55  -0.50650  1.0 3.0
   59    61    63    64   0.09850  1.0 1.0
   59    61    63    64   0.15250 -1.0 2.0
   59    61    63    64  -0.50650  1.0 3.0
   59    61    63    66   0.46850  1.0 1.0
   59    61    63    66   0.08550 -1.0 2.0
   59    61    63    66   0.09800  1.0 3.0
   59    61    40    33   0.56750  1.0 1.0
   59    61    40    33  -0.07550 -1.0 2.0
   59    61    40    33   0.20000  1.0 3.0
   59    61    40    69  -0.95700  1.0 1.0
   59    61    40    69  -0.18200 -1.0 2.0
   59    61    40    69   0.29450  1.0 3.0
   59    61    40    41   0.15000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    40   0.15000  1.0 3.0
   61    63    64    65   7.00000 -1.0 2.0
   61    63   -64    69   7.00000 -1.0 2.0
   61    63    66    67   0.34800  1.0 3.0
   61    63    66    68   0.34800  1.0 3.0
   61    63    66    71   0.18000  1.0 1.0
   61    63    66    71   0.16450 -1.0 2.0
   61    63    66    71   0.04450  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    66   0.34800  1.0 3.0
   62    61    40    33   0.15000  1.0 3.0
   62    61    40    69  -0.11250  1.0 3.0
   62    61    40    41   0.15000  1.0 3.0
   63    61    40    33   0.34400  1.0 1.0
   63    61    40    33   0.09450 -1.0 2.0
   63    61    40    33   0.11100  1.0 3.0
   63    61   -40    69  -0.98800  1.0 1.0
   63    61   -40    69   0.48800 -1.0 2.0
   63    61   -40    69   0.76800  1.0 3.0
   63    61    40    41   0.15000  1.0 3.0
   63    64    69    70   1.00000 -1.0 2.0
   63    64   -69    40  -0.33500  1.0 1.0
   63    64   -69    40   1.06600 -1.0 2.0
   63    64   -69    40  -0.14000  1.0 3.0
   63    66    71    72  -0.07800  1.0 1.0
   63    66    71    72  -0.21500 -1.0 2.0
   63    66    71    72  -0.03150  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    71   0.67800  1.0 1.0
   64    63    66    71   0.47050 -1.0 2.0
   64    63    66    71  -0.62500  1.0 3.0
   64    69    40    33   0.65300  1.0 1.0
   64    69    40    33  -0.03850 -1.0 2.0
   64    69    40    33   0.33900  1.0 3.0
   64    69   -40    61   0.65300  1.0 1.0
   64    69   -40    61  -0.03850 -1.0 2.0
   64    69   -40    61   0.33900  1.0 3.0
   64    69    40    41   0.00000  1.0 1.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    40   0.04550  1.0 1.0
   65    64    69    40   0.83000 -1.0 2.0
   65    64    69    40  -0.04000  1.0 3.0
   70    69    40    33   0.30150 -1.0 2.0
   70    69    40    61   0.30150 -1.0 2.0
   70    69    40    41   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   40    61   -63    64   0.09850  1.0 1.0
   40    61   -63    64   0.15250 -1.0 2.0
   40    61   -63    64  -0.50650  1.0 3.0
   40    61    63    66   0.46850  1.0 1.0
   40    61    63    66   0.08550 -1.0 2.0
   40    61    63    66   0.09800  1.0 3.0
   66    63    64    65   7.00000 -1.0 2.0
   66    63    64    69   7.00000 -1.0 2.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72   0.19450  1.0 3.0
   55    52    53    54   1.00000 -1.0 2.0
   55    52    53    58  -0.56150  1.0 1.0
   55    52    53    58   2.19150 -1.0 2.0
   50    46    48    49   0.23400  1.0 3.0
   50    46    48    52   1.05650  1.0 1.0
   50    46    48    52   0.15600 -1.0 2.0
   50    46    48    52   0.53150  1.0 3.0
   50    46    48    59   0.86500  1.0 1.0
   50    46    48    59  -0.17500 -1.0 2.0
   50    46    48    59   0.20800  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    61   0.56750  1.0 1.0
   42    33    40    61  -0.07550 -1.0 2.0
   42    33    40    61   0.20000  1.0 3.0
   42    33    40    69  -0.95700  1.0 1.0
   42    33    40    69  -0.18200 -1.0 2.0
   42    33    40    69   0.29450  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   48    53    52    55   1.10000 -1.0 2.0
   52    58    53    54  10.50000 -1.0 2.0
   61    66    63    64   1.10000 -1.0 2.0
   69    65    64    63   1.10000 -1.0 2.0
   64    40    69    70  10.50000 -1.0 2.0
   56    57    55    52   1.10000 -1.0 2.0
END
