* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    239     428
    1     0 S   NP   _N1_     1    28.69042    95.53104   -24.41936
    2     1 S   H    _HN1     2     1.02827    29.50917   172.62978
    3     1 S   H    _H1_     3     1.02796   113.15308  -101.82045
    4     1 S   H    _H2_     4     1.02946    78.08781     3.25384
    5     1 S   CT   _CA1     5     1.50129   127.77298   109.97628
    6     5 S   HC   _HA1     6     1.09573   105.15632    87.19372
    7     5 S   CO3  _C1_     7     1.53767   112.43663   -33.01660
    8     7 S   O2Z  _O11     8     1.26378   115.00601   -43.08723
    9     7 S   O2Z  _O12     9     1.26231   114.94364   135.86990
   10     5 S   CT   _CB1    10     1.53050   107.39565  -154.84405
   11    10 S   HC   HB11    11     1.09843   109.33758   -49.20368
   12    10 S   HC   HB12    12     1.09809   110.48153    67.39049
   13    10 S   CT   _CG1    13     1.53026   112.64063  -170.11646
   14    13 S   HC   HG11    14     1.09566   110.75964   -67.47960
   15    13 S   HC   HG12    15     1.09668   109.68040    51.77476
   16    13 S   C    _CD1    16     1.51813   111.90214   172.28484
   17    16 S   O    _OE1    17     1.22766   123.13472    13.77900
   18    16 S   N    _N2_    18     1.38622   111.88503  -166.21579
   19    18 S   H    _HN2    19     1.01579   119.08208     0.70053
   20    18 S   CT1  _CA2    20     1.46254   123.41343   176.70866
   21    20 S   HC   _HA2    21     1.09745   109.20958     9.40828
   22    20 S   C    _C2_    22     1.53765   109.13803  -106.13631
   23    22 S   O    _O2_    23     1.23100   122.21969  -150.75850
   24    20 S   CT   _CB2    32     1.53456   111.58894   131.32339
   25    24 S   HC   HB21    33     1.09431   109.45191    57.08237
   26    24 S   HC   HB22    34     1.09167   109.65761   175.59336
   27    22 S   N    _N3_    24     1.38308   113.99399    36.80289
   28    27 S   H    _HN3    25     1.01520   119.61479    -3.29140
   29    24 S   S    _SG2    35     1.82809   111.15696   -64.05485
   30    27 S   CT   _CA3    26     1.45272   123.30717   177.21161
   31    30 S   HC   HA31    27     1.09547   107.52400   -64.67800
   32    30 S   HC   HA32    28     1.09555   107.98830    51.78152
   33    29 S   CT   _C15    36     1.91426   101.29452  -174.05720
   34    30 S   CO3  _C3_    29     1.52979   114.03847   173.78852
   35    34 S   O2Z  _O31    30     1.26387   116.09775     0.07133
   36    34 S   O2Z  _O32    31     1.26427   114.41331  -179.87967
   37    33 S   C3T  _C11    37     1.54246   101.58744  -169.81696
   38    37 S   HC   _H29    38     1.07848   118.20571    82.08289
   39    33 S   CT   _C18    71     1.59580   110.17148   -54.88414
   40    39 S   OM   _O16    72     1.33057   111.96134   -51.02742
   41    39 S   HC   _H37    73     1.08801   105.55474  -176.11304
   42    39 S   HC   _H38    74     1.09433   106.56756    76.58209
   43    37 S   C3T  _C10    39     1.48124   111.13113  -132.81235
   44    43 S   HC   _H28    40     1.07760   121.97940  -143.96218
   45    43 S   CT   _C14    41     1.50477   112.32975     4.11870
   46    37 S   O3T  _O19    70     1.43657   117.29271   -67.96920
   47    45 S   CT   _C7_    42     1.55103   111.82314  -118.05043
   48    47 S   HC   _H25    43     1.09570   112.46224   -63.37406
   49    33 S   CT   _C13    61     1.66852   114.61379    80.61241
   50    45 S   OH   _O21    68     1.43110   106.31762   125.86538
   51    50 S   HO   _H40    69     0.97249   108.16709    51.59099
   52    47 S   CO4  _C4_    44     1.50747   109.74219    59.24130
   53    52 S   O    _O17    45     1.21960   126.51093   -90.60430
   54    49 S   CT   _C17    62     1.57066   110.02102    11.28399
   55    54 S   HC   _H34    63     1.09442   112.59172    54.63286
   56    54 S   HC   _H35    64     1.09389   111.79793   -68.13608
   57    54 S   HC   _H36    65     1.09745   111.39056   174.13953
   58    52 S   OS   _O18    46     1.37479   108.11747    88.03634
   59    58 S   CT   _C9_    47     1.43709   108.25638     2.62100
   60    59 S   HC   _H27    48     1.09543   107.36896   147.11633
   61    47 S   CT   _C8_    49     1.53816   115.68223   168.56682
   62    61 S   HC   _H26    50     1.10435   106.76183  -178.42978
   63    59 S   CT   _C12    59     1.54256   111.53682   -90.92606
   64    63 S   HC   _H30    60     1.09533   104.90856   176.03909
   65    61 S   CM   _C6_    51     1.51460   122.60983    62.41032
   66    63 S   OH   _O20    66     1.42021   110.73457   -73.08495
   67    66 S   HO   _H39    67     0.97194   108.33390   -49.81765
   68    65 S   CM   _C5_    52     1.34277   123.43085    26.55956
   69    68 S   HC   _H23    53     1.08552   121.40324   176.81789
   70    68 S   HC   _H24    54     1.08328   122.16857    -1.16500
   71    65 S   CT   _C16    55     1.50749   116.92230  -160.71948
   72    71 S   HC   _H31    56     1.09516   110.15671   -50.62934
   73    71 S   HC   _H32    57     1.09280   111.36465    69.86852
   74    71 S   HC   _H33    58     1.09560   112.16324  -169.96077
  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
  21   2   1   1  14   6   9   3   2   1  12   5  20   3  16   9
  15   5   1   8   3   7   3   2   1   8  10   6  12   4   4   2
   7   1   1   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    63    49    54    46    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    59    63    64    49    54    55    56    57    66    50    46    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    47    63    49    54    50    46    39    40    41    42  
   43    44    45    49    46    39  
   40    41    42    43    45    46    49    54    63  
   41    42    49  
   42    49  
   49  
   44    45    47    48    52    61    63    49    54    50    51    46  
   45    47    49    50    46  
   47    48    52    53    58    59    61    62    65    63    64    49    54    55    56    57    66    50    51    46  
   47    49    50  
   48    52    53    58    59    60    61    62    65    68    71    63    49    54    50    51  
   52    53    58    59    61    62    65    49    50  
   54    55    56    57    66    67    50    51    52    58    59    60    61    63    64  
   51    52    54    61    63  
    0  
   53    58    59    60    61    62    65    63  
   58    59    61  
   55    56    57    66    59    63    64  
   56    57    63  
   57    63  
   63  
   59    60    61    62    65    63    64    66  
   60    61    62    65    68    71    63    64    66    67  
   61    62    65    63    64    66  
   62    65    68    69    70    71    72    73    74    63    64    66  
   65    68    71    63  
   64    66    67    65  
   66    67  
   68    69    70    71    72    73    74  
   67  
    0  
   69    70    71    72    73    74  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   275.000  1.510
   33    49   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.088
   37    43   260.000  1.509
   37    46   335.000  1.432
   43    44   340.000  1.088
   43    45   275.000  1.510
   43    46   335.000  1.432
   45    47   268.000  1.529
   45    49   268.000  1.529
   45    50   320.000  1.410
   47    48   340.000  1.090
   47    52   317.000  1.522
   47    61   268.000  1.529
   52    53   570.000  1.229
   52    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   268.000  1.529
   61    62   340.000  1.090
   61    65   317.000  1.510
   65    68   549.000  1.340
   65    71   317.000  1.510
   68    69   340.000  1.080
   68    70   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   63    64   340.000  1.090
   63    49   268.000  1.529
   63    66   320.000  1.410
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   66    67   553.000  0.945
   50    51   553.000  0.945
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    42   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    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    40.00000  115.04500
   33    37    43    60.00000  120.94000
   33    37    46    80.00000  116.47100
   33    49    45    58.35000  112.70000
   33    49    63    58.35000  112.70000
   33    49    54    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  117.20000
   37    43    45    60.00000  120.94000
   37    43    46    15.00000   60.43100
   37    46    43    15.00000   59.14900
   43    37    38    37.50000  117.20000
   43    45    47    70.00000  112.37300
   43    45    49    70.00000  112.37300
   43    45    50    50.00000  109.50000
   45    43    44    40.00000  115.04500
   45    47    48    37.50000  110.70000
   45    47    52    63.00000  111.10000
   45    47    61    58.35000  112.70000
   45    49    63    58.35000  112.70000
   45    49    54    58.35000  112.70000
   45    50    51    55.00000  108.50000
   47    52    53    80.00000  120.40000
   47    52    58    81.00000  111.40000
   47    61    59    58.35000  112.70000
   47    61    62    37.50000  110.70000
   47    61    65    70.00000  112.02700
   52    47    48    35.00000  109.50000
   52    58    59    83.00000  116.90000
   58    52    53    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   58    59    63    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    65    70.00000  112.02700
   59    63    64    37.50000  110.70000
   59    63    49    58.35000  112.70000
   59    63    66    50.00000  109.50000
   61    47    48    37.50000  110.70000
   61    47    52    63.00000  111.10000
   61    59    60    37.50000  110.70000
   61    65    68    70.00000  124.00000
   61    65    71    65.00000  117.92700
   65    61    62    35.00000  109.50000
   65    68    69    35.00000  120.00000
   65    68    70    35.00000  120.00000
   65    71    72    35.00000  109.50000
   65    71    73    35.00000  109.50000
   65    71    74    35.00000  109.50000
   70    68    69    35.00000  117.00000
   71    65    68    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   63    59    60    37.50000  110.70000
   63    59    61    58.35000  112.70000
   63    49    54    58.35000  112.70000
   63    66    67    55.00000  108.50000
   49    33    37    70.00000  112.37300
   49    45    47    58.35000  112.70000
   49    63    64    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    49    50.00000  109.50000
   50    45    47    50.00000  109.50000
   50    45    49    50.00000  109.50000
   46    37    38    50.00000  114.27700
   46    37    43    15.00000   60.43100
   46    43    44    50.00000  114.27700
   46    43    45    80.00000  116.47100
   39    33    37    70.00000  112.37300
   39    33    49    58.35000  112.70000
   41    39    40    45.00000  125.66300
   42    39    40    45.00000  125.66300
   42    39    41    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    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
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    49    45   0.44750  1.0 1.0
   29    33    49    45  -0.17800 -1.0 2.0
   29    33    49    45   0.20200  1.0 3.0
   29    33    49    63   0.44750  1.0 1.0
   29    33    49    63  -0.17800 -1.0 2.0
   29    33    49    63   0.20200  1.0 3.0
   29    33    49    54   0.44750  1.0 1.0
   29    33    49    54  -0.17800 -1.0 2.0
   29    33    49    54   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37   -43    45   0.56750  1.0 1.0
   33    37   -43    45  -0.07550 -1.0 2.0
   33    37   -43    45   0.20000  1.0 3.0
   33    37   -43    46   0.02550  1.0 1.0
   33    37   -43    46  -0.02600 -1.0 2.0
   33    37   -43    46   1.20400  1.0 3.0
   33    37   -46    43   0.06250  1.0 1.0
   33    37   -46    43  -0.01100 -1.0 2.0
   33    37   -46    43   0.28050  1.0 3.0
   33    49    54    55   0.15000  1.0 3.0
   33    49    54    56   0.15000  1.0 3.0
   33    49    54    57   0.15000  1.0 3.0
   37    33   -49    45   0.47050  1.0 1.0
   37    33   -49    45   0.03900 -1.0 2.0
   37    33   -49    45   0.20100  1.0 3.0
   37    33    49    63   0.47050  1.0 1.0
   37    33    49    63   0.03900 -1.0 2.0
   37    33    49    63   0.20100  1.0 3.0
   37    33    49    54   0.47050  1.0 1.0
   37    33    49    54   0.03900 -1.0 2.0
   37    33    49    54   0.20100  1.0 3.0
   37    33    39    40  -0.26800  1.0 1.0
   37    33    39    40   0.69150 -1.0 2.0
   37    33    39    40  -0.48750  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    45    47   0.07850  1.0 1.0
   37    43    45    47  -0.03950 -1.0 2.0
   37    43    45    47   0.67350  1.0 3.0
   37    43   -45    49   0.07850  1.0 1.0
   37    43   -45    49  -0.03950 -1.0 2.0
   37    43   -45    49   0.67350  1.0 3.0
   37    43    45    50   0.86500  1.0 1.0
   37    43    45    50  -0.17500 -1.0 2.0
   37    43    45    50   0.20800  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37   -43    46   0.23400  1.0 3.0
   38    37   -46    43   0.36800  1.0 3.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    52  -0.95700  1.0 1.0
   43    45    47    52  -0.18200 -1.0 2.0
   43    45    47    52   0.29450  1.0 3.0
   43    45    47    61   0.47050  1.0 1.0
   43    45    47    61   0.03900 -1.0 2.0
   43    45    47    61   0.20100  1.0 3.0
   43    45   -49    33   0.47050  1.0 1.0
   43    45   -49    33   0.03900 -1.0 2.0
   43    45   -49    33   0.20100  1.0 3.0
   43    45    49    63   0.47050  1.0 1.0
   43    45    49    63   0.03900 -1.0 2.0
   43    45    49    63   0.20100  1.0 3.0
   43    45    49    54   0.47050  1.0 1.0
   43    45    49    54   0.03900 -1.0 2.0
   43    45    49    54   0.20100  1.0 3.0
   43    45    50    51  -0.11600  1.0 1.0
   43    45    50    51  -0.09450 -1.0 2.0
   43    45    50    51   0.21250  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    50   0.23400  1.0 3.0
   44    43   -46    37   0.36800  1.0 3.0
   45    43   -46    37   0.06250  1.0 1.0
   45    43   -46    37  -0.01100 -1.0 2.0
   45    43   -46    37   0.28050  1.0 3.0
   45    47    52    53   0.30150 -1.0 2.0
   45    47    52    58   0.36750  1.0 3.0
   45    47    61    59   0.56750  1.0 1.0
   45    47    61    59  -0.07550 -1.0 2.0
   45    47    61    59   0.20000  1.0 3.0
   45    47    61    62   0.15000  1.0 3.0
   45    47    61    65   0.34400  1.0 1.0
   45    47    61    65   0.09450 -1.0 2.0
   45    47    61    65   0.11100  1.0 3.0
   45    49    54    55   0.15000  1.0 3.0
   45    49    54    56   0.15000  1.0 3.0
   45    49    54    57   0.15000  1.0 3.0
   47    45    49    33   0.56750  1.0 1.0
   47    45    49    33  -0.07550 -1.0 2.0
   47    45    49    33   0.20000  1.0 3.0
   47    45    49    63   0.56750  1.0 1.0
   47    45    49    63  -0.07550 -1.0 2.0
   47    45    49    63   0.20000  1.0 3.0
   47    45    49    54   0.56750  1.0 1.0
   47    45    49    54  -0.07550 -1.0 2.0
   47    45    49    54   0.20000  1.0 3.0
   47    45    50    51  -0.11600  1.0 1.0
   47    45    50    51  -0.09450 -1.0 2.0
   47    45    50    51   0.21250  1.0 3.0
   47    52   -58    59   1.63150  1.0 1.0
   47    52   -58    59   2.92000 -1.0 2.0
   47    61    65    68   0.09850  1.0 1.0
   47    61    65    68   0.15250 -1.0 2.0
   47    61    65    68  -0.50650  1.0 3.0
   47    61    65    71   0.46850  1.0 1.0
   47    61    65    71   0.08550 -1.0 2.0
   47    61    65    71   0.09800  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    58   0.00000  1.0 1.0
   48    47    61    59   0.15000  1.0 3.0
   48    47    61    62   0.15000  1.0 3.0
   48    47    61    65   0.15000  1.0 3.0
   52    47   -61    59  -0.95700  1.0 1.0
   52    47   -61    59  -0.18200 -1.0 2.0
   52    47   -61    59   0.29450  1.0 3.0
   52    47    61    62  -0.11250  1.0 3.0
   52    47    61    65  -0.98800  1.0 1.0
   52    47    61    65   0.48800 -1.0 2.0
   52    47    61    65   0.76800  1.0 3.0
   52    58    59    60   0.08050  1.0 3.0
   52    58   -59    61  -0.25900  1.0 1.0
   52    58   -59    61  -0.47000 -1.0 2.0
   52    58   -59    61   0.11750  1.0 3.0
   52    58    59    63  -0.25900  1.0 1.0
   52    58    59    63  -0.47000 -1.0 2.0
   52    58    59    63   0.11750  1.0 3.0
   53    52    58    59   3.00000 -1.0 2.0
   58    59   -61    47   0.62750  1.0 1.0
   58    59   -61    47  -0.30950 -1.0 2.0
   58    59   -61    47   0.27300  1.0 3.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    65   0.61850  1.0 1.0
   58    59    61    65  -0.22750 -1.0 2.0
   58    59    61    65   0.15300  1.0 3.0
   58    59    63    64   0.23400  1.0 3.0
   58    59    63    49   0.62750  1.0 1.0
   58    59    63    49  -0.30950 -1.0 2.0
   58    59    63    49   0.27300  1.0 3.0
   58    59    63    66   3.69350  1.0 1.0
   58    59    63    66  -1.82950 -1.0 2.0
   59    61    65    68   0.09850  1.0 1.0
   59    61    65    68   0.15250 -1.0 2.0
   59    61    65    68  -0.50650  1.0 3.0
   59    61    65    71   0.46850  1.0 1.0
   59    61    65    71   0.08550 -1.0 2.0
   59    61    65    71   0.09800  1.0 3.0
   59    63    49    33   0.56750  1.0 1.0
   59    63    49    33  -0.07550 -1.0 2.0
   59    63    49    33   0.20000  1.0 3.0
   59    63   -49    45   0.56750  1.0 1.0
   59    63   -49    45  -0.07550 -1.0 2.0
   59    63   -49    45   0.20000  1.0 3.0
   59    63    49    54   0.56750  1.0 1.0
   59    63    49    54  -0.07550 -1.0 2.0
   59    63    49    54   0.20000  1.0 3.0
   59    63    66    67  -0.11600  1.0 1.0
   59    63    66    67  -0.09450 -1.0 2.0
   59    63    66    67   0.21250  1.0 3.0
   60    59    61    47   0.15000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    49   0.15000  1.0 3.0
   60    59    63    66   0.23400  1.0 3.0
   61    47    52    53   0.30150 -1.0 2.0
   61    47   -52    58   0.36750  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    49   0.56750  1.0 1.0
   61    59    63    49  -0.07550 -1.0 2.0
   61    59    63    49   0.20000  1.0 3.0
   61    59    63    66   0.86500  1.0 1.0
   61    59    63    66  -0.17500 -1.0 2.0
   61    59    63    66   0.20800  1.0 3.0
   61    65    68    69   7.00000 -1.0 2.0
   61    65    68    70   7.00000 -1.0 2.0
   61    65    71    72   0.34800  1.0 3.0
   61    65    71    73   0.34800  1.0 3.0
   61    65    71    74   0.34800  1.0 3.0
   62    61    65    68   0.00000  1.0 1.0
   62    61    65    71   0.34800  1.0 3.0
   68    65    71    72   0.00000  1.0 1.0
   68    65    71    73   0.00000  1.0 1.0
   68    65    71    74   0.00000  1.0 1.0
   71    65    68    69   7.00000 -1.0 2.0
   71    65    68    70   7.00000 -1.0 2.0
   63    59   -61    47   0.56750  1.0 1.0
   63    59   -61    47  -0.07550 -1.0 2.0
   63    59   -61    47   0.20000  1.0 3.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    65   0.34400  1.0 1.0
   63    59    61    65   0.09450 -1.0 2.0
   63    59    61    65   0.11100  1.0 3.0
   63    49    54    55   0.15000  1.0 3.0
   63    49    54    56   0.15000  1.0 3.0
   63    49    54    57   0.15000  1.0 3.0
   64    63    49    33   0.15000  1.0 3.0
   64    63    49    45   0.15000  1.0 3.0
   64    63    49    54   0.15000  1.0 3.0
   64    63    66    67   0.19450  1.0 3.0
   49    33    37    38   0.15000  1.0 3.0
   49    33   -37    43   0.07850  1.0 1.0
   49    33   -37    43  -0.03950 -1.0 2.0
   49    33   -37    43   0.67350  1.0 3.0
   49    33    37    46   0.02550  1.0 1.0
   49    33    37    46  -0.02600 -1.0 2.0
   49    33    37    46   1.20400  1.0 3.0
   49    33    39    40   0.62750  1.0 1.0
   49    33    39    40  -0.30950 -1.0 2.0
   49    33    39    40   0.27300  1.0 3.0
   49    33    39    41   0.15000  1.0 3.0
   49    33    39    42   0.15000  1.0 3.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    52  -0.95700  1.0 1.0
   49    45    47    52  -0.18200 -1.0 2.0
   49    45    47    52   0.29450  1.0 3.0
   49    45   -47    61   0.56750  1.0 1.0
   49    45   -47    61  -0.07550 -1.0 2.0
   49    45   -47    61   0.20000  1.0 3.0
   49    45    50    51  -0.11600  1.0 1.0
   49    45    50    51  -0.09450 -1.0 2.0
   49    45    50    51   0.21250  1.0 3.0
   49    63    66    67  -0.11600  1.0 1.0
   49    63    66    67  -0.09450 -1.0 2.0
   49    63    66    67   0.21250  1.0 3.0
   66    63    49    33   0.86500  1.0 1.0
   66    63    49    33  -0.17500 -1.0 2.0
   66    63    49    33   0.20800  1.0 3.0
   66    63    49    45   0.86500  1.0 1.0
   66    63    49    45  -0.17500 -1.0 2.0
   66    63    49    45   0.20800  1.0 3.0
   66    63    49    54   0.86500  1.0 1.0
   66    63    49    54  -0.17500 -1.0 2.0
   66    63    49    54   0.20800  1.0 3.0
   50    45    47    48   0.23400  1.0 3.0
   50    45    47    52  -0.09450  1.0 1.0
   50    45    47    52  -1.12950 -1.0 2.0
   50    45    47    52   0.54000  1.0 3.0
   50    45    47    61   0.86500  1.0 1.0
   50    45    47    61  -0.17500 -1.0 2.0
   50    45    47    61   0.20800  1.0 3.0
   50    45    49    33   0.86500  1.0 1.0
   50    45    49    33  -0.17500 -1.0 2.0
   50    45    49    33   0.20800  1.0 3.0
   50    45    49    63   0.86500  1.0 1.0
   50    45    49    63  -0.17500 -1.0 2.0
   50    45    49    63   0.20800  1.0 3.0
   50    45    49    54   0.86500  1.0 1.0
   50    45    49    54  -0.17500 -1.0 2.0
   50    45    49    54   0.20800  1.0 3.0
   46    37   -43    44   0.23400  1.0 3.0
   46    37   -43    45   0.02550  1.0 1.0
   46    37   -43    45  -0.02600 -1.0 2.0
   46    37   -43    45   1.20400  1.0 3.0
   46    43    45    47   0.02550  1.0 1.0
   46    43    45    47  -0.02600 -1.0 2.0
   46    43    45    47   1.20400  1.0 3.0
   46    43   -45    49   0.02550  1.0 1.0
   46    43   -45    49  -0.02600 -1.0 2.0
   46    43   -45    49   1.20400  1.0 3.0
   46    43    45    50   3.69350  1.0 1.0
   46    43    45    50  -1.82950 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.07850  1.0 1.0
   39    33    37    43  -0.03950 -1.0 2.0
   39    33    37    43   0.67350  1.0 3.0
   39    33    37    46   0.02550  1.0 1.0
   39    33    37    46  -0.02600 -1.0 2.0
   39    33    37    46   1.20400  1.0 3.0
   39    33    49    45   0.56750  1.0 1.0
   39    33    49    45  -0.07550 -1.0 2.0
   39    33    49    45   0.20000  1.0 3.0
   39    33    49    63   0.56750  1.0 1.0
   39    33    49    63  -0.07550 -1.0 2.0
   39    33    49    63   0.20000  1.0 3.0
   39    33    49    54   0.56750  1.0 1.0
   39    33    49    54  -0.07550 -1.0 2.0
   39    33    49    54   0.20000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   47    58    52    53  10.50000 -1.0 2.0
   61    71    65    68  15.00000 -1.0 2.0
   69    70    68    65  15.00000 -1.0 2.0
END
