* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    129    217     385
    1     0 S   NP   _N1_     1    28.59074    96.31182   -24.08316
    2     1 S   H    _HN1     2     1.02956    74.46664     5.42242
    3     1 S   H    _H1_     3     1.02832    34.14562   167.64908
    4     1 S   H    _H2_     4     1.02784   109.46920   -98.92599
    5     1 S   CT   _CA1     5     1.50130   133.25627   109.00862
    6     5 S   HC   _HA1     6     1.09574   105.20844    90.01302
    7     5 S   CO3  _C1_     7     1.53771   112.41881   -30.19236
    8     7 S   O2Z  _O11     8     1.26364   115.00144   -43.23382
    9     7 S   O2Z  _O12     9     1.26238   114.93085   135.86639
   10     5 S   CT   _CB1    10     1.53070   107.40218  -152.07004
   11    10 S   HC   HB11    11     1.09832   109.29920   -50.42906
   12    10 S   HC   HB12    12     1.09817   110.43150    66.10870
   13    10 S   CT   _CG1    13     1.53023   112.70916  -171.49326
   14    13 S   HC   HG11    14     1.09587   110.55200   -65.32579
   15    13 S   HC   HG12    15     1.09658   109.89421    53.92935
   16    13 S   C    _CD1    16     1.51801   112.20337   174.28406
   17    16 S   O    _OE1    17     1.22753   123.25529     2.89922
   18    16 S   N    _N2_    18     1.38577   111.79858  -177.22371
   19    18 S   H    _HN2    19     1.01580   119.14954     3.07689
   20    18 S   CT1  _CA2    20     1.45915   122.74986   177.19921
   21    20 S   HC   _HA2    21     1.09687   110.06434    20.09911
   22    20 S   C    _C2_    22     1.52666   104.48387   -97.22623
   23    22 S   O    _O2_    23     1.23002   122.50817   -82.92351
   24    20 S   CT   _CB2    32     1.53227   111.88657   143.34053
   25    24 S   HC   HB21    33     1.09527   110.55343    50.68684
   26    24 S   HC   HB22    34     1.09290   109.03580   169.32646
   27    22 S   N    _N3_    24     1.38457   112.94178    92.40069
   28    27 S   H    _HN3    25     1.01694   120.18737     2.04698
   29    24 S   S    _SG2    35     1.83125   110.23823   -68.88978
   30    27 S   CT   _CA3    26     1.45345   122.54253  -178.10122
   31    30 S   HC   HA31    27     1.09551   107.31028   -69.49060
   32    30 S   HC   HA32    28     1.09573   108.16965    46.87782
   33    29 S   CT   _C12    36     1.94757   102.25323  -153.89721
   34    30 S   CO3  _C3_    29     1.52885   114.45023   169.13423
   35    34 S   O2Z  _O31    30     1.26309   116.16490     3.75671
   36    34 S   O2Z  _O32    31     1.26467   114.36527  -176.08443
   37    33 S   CO4  _C13    37     1.55850   100.18633   -65.64433
   38    37 S   O    _O34    38     1.23242   122.34088    78.75611
   39    33 S   CM   _C14    55     1.56738   108.85813    55.43632
   40    37 S   CA   _C8_    39     1.48954   119.76007   -94.65574
   41    39 S   CO4  _C23    56     1.50600   115.98703    43.73869
   42    41 S   O    _O36    57     1.22577   123.36527    24.65126
   43    40 S   CA   _C9_    40     1.39034   120.88408     5.89628
   44    41 S   CA   _C22    58     1.46407   117.86864  -154.20680
   45    43 S   CA   _C4_    41     1.41096   120.57041   175.44035
   46    45 S   HA   _H4_    42     1.09202   118.64431   179.88809
   47    43 S   CO4  _C10    50     1.48238   121.06979    -5.92632
   48    47 S   O    _O33    51     1.23070   119.76623   162.74399
   49    44 S   CA   _C17    59     1.37865   118.18131   -27.19454
   50    45 S   CA   _C5_    43     1.41118   123.36483     0.64224
   51    50 S   OM   _O42    44     1.27678   122.89657  -179.93744
   52    33 S   CT   _C11    52     1.56591   105.98352   175.87166
   53    52 S   OM   _O40    53     1.32600   111.78699  -176.05995
   54    52 S   HC   _H3_    54     1.10032   107.03556   -44.33186
   55    49 S   CA   _C18    60     1.40708   120.25407  -177.98346
   56    55 S   HA   _H6_    61     1.09174   118.68195   179.65850
   57    49 S   CO4  _C16    69     1.46945   119.30862     0.43205
   58    57 S   O    _O35    70     1.22943   118.50376  -158.72351
   59    50 S   CA   _C6_    45     1.40851   114.26590     0.33804
   60    59 S   HA   _H5_    46     1.09168   118.92291   179.56210
   61    55 S   CA   _C19    62     1.41334   122.99060    -0.70081
   62    61 S   OM   _O38    63     1.27675   122.72869  -179.76761
   63    39 S   CMA  _C15    71     1.36425   125.22616  -141.49889
   64    63 S   OM   _O39    72     1.26502   130.45543    -2.34794
   65    40 S   CA   _C7_    47     1.39916   121.36505  -177.54497
   66    61 S   CA   _C20    64     1.41204   114.53848     0.33161
   67    66 S   HA   _H7_    65     1.09152   118.99653  -179.93744
   68    65 S   OH   _O41    48     1.37112   123.52711     4.18849
   69    68 S   HO   _H9_    49     0.97421   108.48993     1.29543
   70    44 S   CA   _C21    66     1.39326   122.77531   154.56880
   71    70 S   OH   _O37    67     1.36884   123.12958    -1.89331
   72    71 S   HO   _H8_    68     0.97397   108.66690     5.27938
  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  11   5   4   3
  17   2   1   1  14   5  14  12  11   4  12  12   9   4   6   3
  11   5   3   3   1   1   9   4   5   2   4   2   5   3   1   1
   2   4   2   1   1   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    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    52    53    54    39    41    63  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    65    47    48    52    53    54    39    41    42    44    57    63    64  
   35    36  
   36  
    0  
   38    40    43    45    59    65    68    47    52    53    54    39    41    63  
   40    43    65    52    39  
   41    42    44    49    70    57    58    63    64    40    47    52    53    54  
   43    45    46    50    59    60    65    68    69    47    48    52  
   42    44    49    55    66    70    71    57    63    64    52  
   44    49    70    63  
   45    46    50    51    59    65    68    47    48    52    53    54  
   49    55    56    61    66    67    70    71    72    57    58    63  
   46    50    51    59    60    65    47    48    52  
   50    51    59    47  
   48    52    53    54    50    65  
   52    53    54  
   55    56    61    62    66    70    71    57    58    63    64  
   51    59    60    65    68  
   59    60    65  
   53    54    63  
   54  
    0  
   56    61    62    66    67    70    57    58    63  
   61    62    66    57  
   58    63    64    61    70  
   63    64  
   60    65    68    69  
   65    68  
   62    66    67    70    71  
   66    67    70  
   64  
    0  
   68    69  
   67    70    71    72  
   70    71  
   69  
    0  
   71    72  
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   52   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   64   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   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   317.000  1.522
   33    52   268.000  1.529
   33    39   317.000  1.510
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    65   469.000  1.400
   43    45   469.000  1.400
   43    47   310.000  1.470
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    51   450.000  1.364
   50    59   469.000  1.400
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    68   450.000  1.364
   68    69   553.000  0.945
   47    48   570.000  1.229
   47    52   317.000  1.522
   52    53   570.000  1.307
   52    54   340.000  1.090
   39    41   320.000  1.462
   39    63   465.000  1.376
   41    42   570.000  1.229
   41    44   310.000  1.470
   44    49   469.000  1.400
   44    70   469.000  1.400
   49    55   469.000  1.400
   49    57   310.000  1.470
   55    56   367.000  1.080
   55    61   469.000  1.400
   61    62   450.000  1.364
   61    66   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   57    58   570.000  1.229
   57    63   270.000  1.476
   63    64   745.000  1.250
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  110.18000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  112.20000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    52    47    63.00000  111.10000
   33    52    53    50.00000  109.50000
   33    52    54    37.50000  110.70000
   33    39    41    65.00000  116.34900
   33    39    63    70.00000  124.00000
   37    40    43    60.00000  119.52600
   37    40    65    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    45    63.00000  120.00000
   40    43    47    60.00000  119.52600
   40    65    59    63.00000  120.00000
   40    65    68    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    50    63.00000  120.00000
   43    47    48    75.00000  123.78400
   43    47    52    65.00000  115.47100
   45    50    51    70.00000  120.00000
   45    50    59    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    59    60    35.00000  120.00000
   50    59    65    63.00000  120.00000
   59    50    51    70.00000  120.00000
   59    65    68    70.00000  120.00000
   65    40    43    63.00000  120.00000
   65    59    60    35.00000  120.00000
   65    68    69    35.00000  113.00000
   47    43    45    60.00000  119.52600
   47    52    53    90.00000  108.74100
   47    52    54    35.00000  109.50000
   52    33    37    63.00000  111.10000
   52    47    48    80.00000  120.40000
   54    52    53    45.00000  125.66300
   39    33    37    70.00000  109.06800
   39    33    52    70.00000  112.02700
   39    41    42    80.00000  123.72100
   39    41    44    65.00000  117.02400
   39    63    57    65.00000  114.61000
   39    63    64    65.00000  137.10300
   41    44    49    60.00000  119.52600
   41    44    70    60.00000  119.52600
   44    41    42    75.00000  123.78400
   44    49    55    63.00000  120.00000
   44    49    57    60.00000  119.52600
   44    70    66    63.00000  120.00000
   44    70    71    70.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    61    63.00000  120.00000
   49    57    58    75.00000  123.78400
   49    57    63    60.00000  117.44000
   55    61    62    70.00000  120.00000
   55    61    66    63.00000  120.00000
   61    55    56    35.00000  120.00000
   61    66    67    35.00000  120.00000
   61    66    70    63.00000  120.00000
   66    61    62    70.00000  120.00000
   66    70    71    70.00000  120.00000
   70    44    49    63.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    72    35.00000  113.00000
   57    49    55    60.00000  119.52600
   57    63    64    85.00000  116.28000
   63    39    41    60.00000  125.92000
   63    57    58    80.00000  120.81000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    52    47   0.56750  1.0 1.0
   29    33    52    47  -0.07550 -1.0 2.0
   29    33    52    47   0.20000  1.0 3.0
   29    33    52    53   0.56750  1.0 1.0
   29    33    52    53  -0.07550 -1.0 2.0
   29    33    52    53   0.20000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   29    33    39    41   0.09700  1.0 1.0
   29    33    39    41   0.15600 -1.0 2.0
   29    33    39    41  -0.50800  1.0 3.0
   29    33    39    63   0.42700  1.0 1.0
   29    33    39    63  -0.70350 -1.0 2.0
   29    33    39    63  -0.43150  1.0 3.0
   33    37    40    43   2.26350  1.0 1.0
   33    37    40    43   0.76750 -1.0 2.0
   33    37    40    43   0.22500  1.0 3.0
   33    37    40    65   2.26350  1.0 1.0
   33    37    40    65   0.76750 -1.0 2.0
   33    37    40    65   0.22500  1.0 3.0
   33    39    41    42  -0.64400  1.0 1.0
   33    39    41    42   0.26850 -1.0 2.0
   33    39    41    44   1.50000 -1.0 2.0
   33    39    63    57   7.00000 -1.0 2.0
   33    39    63    64   7.00000 -1.0 2.0
   37    33    52    47   0.11950  1.0 1.0
   37    33    52    47   0.20300 -1.0 2.0
   37    33    52    47  -0.70800  1.0 3.0
   37    33    52    53  -0.09450  1.0 1.0
   37    33    52    53  -1.12950 -1.0 2.0
   37    33    52    53   0.54000  1.0 3.0
   37    33    52    54  -0.11250  1.0 3.0
   37    33    39    41   0.09700  1.0 1.0
   37    33    39    41   0.15600 -1.0 2.0
   37    33    39    41  -0.50800  1.0 3.0
   37    33    39    63  -0.51250  1.0 1.0
   37    33    39    63  -0.88800 -1.0 2.0
   37    33    39    63   0.08850  1.0 3.0
   37    40    43    45   3.62500 -1.0 2.0
   37    40   -43    47   3.62500 -1.0 2.0
   37    40    65    59   3.62500 -1.0 2.0
   37    40    65    68   3.62500 -1.0 2.0
   38    37    40    43   1.05000 -1.0 2.0
   38    37    40    65   1.05000 -1.0 2.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    50   3.62500 -1.0 2.0
   40    43    47    48   1.05000 -1.0 2.0
   40    43    47    52   2.26350  1.0 1.0
   40    43    47    52   0.76750 -1.0 2.0
   40    43    47    52   0.22500  1.0 3.0
   40    65    68    69   0.84100 -1.0 2.0
   43    40    65    59   3.62500 -1.0 2.0
   43    40    65    68   3.62500 -1.0 2.0
   43    45    50    51   3.62500 -1.0 2.0
   43    45   -50    59   3.62500 -1.0 2.0
   43    47   -52    33   0.05850 -1.0 2.0
   43    47   -52    33   0.17250  1.0 3.0
   43    47    52    53   0.65300  1.0 1.0
   43    47    52    53  -0.03850 -1.0 2.0
   43    47    52    53   0.33900  1.0 3.0
   43    47    52    54   0.00000  1.0 1.0
   45    43    47    48   1.05000 -1.0 2.0
   45    43    47    52   2.26350  1.0 1.0
   45    43    47    52   0.76750 -1.0 2.0
   45    43    47    52   0.22500  1.0 3.0
   45    50    59    60   3.62500 -1.0 2.0
   45    50    59    65   3.62500 -1.0 2.0
   46    45    50    51   3.62500 -1.0 2.0
   46    45    50    59   3.62500 -1.0 2.0
   50    59   -65    40   3.62500 -1.0 2.0
   50    59    65    68   3.62500 -1.0 2.0
   51    50    59    60   3.62500 -1.0 2.0
   51    50    59    65   3.62500 -1.0 2.0
   59    65    68    69   0.84100 -1.0 2.0
   60    59    65    40   3.62500 -1.0 2.0
   60    59    65    68   3.62500 -1.0 2.0
   65    40   -43    45   3.62500 -1.0 2.0
   65    40    43    47   3.62500 -1.0 2.0
   47    43    45    46   3.62500 -1.0 2.0
   47    43    45    50   3.62500 -1.0 2.0
   48    47    52    33   0.30150 -1.0 2.0
   48    47    52    53   0.30150 -1.0 2.0
   48    47    52    54   0.00000  1.0 1.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33   -37    40   0.05850 -1.0 2.0
   52    33   -37    40   0.17250  1.0 3.0
   52    33    39    41   0.09700  1.0 1.0
   52    33    39    41   0.15600 -1.0 2.0
   52    33    39    41  -0.50800  1.0 3.0
   52    33    39    63   0.09850  1.0 1.0
   52    33    39    63   0.15250 -1.0 2.0
   52    33    39    63  -0.50650  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    52    47  -0.98800  1.0 1.0
   39    33    52    47   0.48800 -1.0 2.0
   39    33    52    47   0.76800  1.0 3.0
   39    33    52    53   0.61850  1.0 1.0
   39    33    52    53  -0.22750 -1.0 2.0
   39    33    52    53   0.15300  1.0 3.0
   39    33    52    54   0.15000  1.0 3.0
   39    41    44    49  -0.11500  1.0 1.0
   39    41    44    49   1.10450 -1.0 2.0
   39    41    44    49  -0.48050  1.0 3.0
   39    41    44    70  -0.11500  1.0 1.0
   39    41    44    70   1.10450 -1.0 2.0
   39    41    44    70  -0.48050  1.0 3.0
   41    39    63    57   7.00000 -1.0 2.0
   41    39    63    64   7.00000 -1.0 2.0
   41    44    49    55   3.62500 -1.0 2.0
   41    44   -49    57   3.62500 -1.0 2.0
   41    44    70    66   3.62500 -1.0 2.0
   41    44    70    71   3.62500 -1.0 2.0
   42    41    44    49   1.05000 -1.0 2.0
   42    41    44    70   1.05000 -1.0 2.0
   44    49    55    56   3.62500 -1.0 2.0
   44    49    55    61   3.62500 -1.0 2.0
   44    49    57    58   1.05000 -1.0 2.0
   44    49    57    63  -0.11500  1.0 1.0
   44    49    57    63   1.10450 -1.0 2.0
   44    49    57    63  -0.48050  1.0 3.0
   44    70    71    72   0.84100 -1.0 2.0
   49    44    70    66   3.62500 -1.0 2.0
   49    44    70    71   3.62500 -1.0 2.0
   49    55    61    62   3.62500 -1.0 2.0
   49    55   -61    66   3.62500 -1.0 2.0
   49    57   -63    39  -1.65800  1.0 1.0
   49    57   -63    39   0.77650 -1.0 2.0
   49    57    63    64   1.50000 -1.0 2.0
   55    49    57    58   1.05000 -1.0 2.0
   55    49    57    63  -0.11500  1.0 1.0
   55    49    57    63   1.10450 -1.0 2.0
   55    49    57    63  -0.48050  1.0 3.0
   55    61    66    67   3.62500 -1.0 2.0
   55    61    66    70   3.62500 -1.0 2.0
   56    55    61    62   3.62500 -1.0 2.0
   56    55    61    66   3.62500 -1.0 2.0
   61    66   -70    44   3.62500 -1.0 2.0
   61    66    70    71   3.62500 -1.0 2.0
   62    61    66    67   3.62500 -1.0 2.0
   62    61    66    70   3.62500 -1.0 2.0
   66    70    71    72   0.84100 -1.0 2.0
   67    66    70    44   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   70    44   -49    55   3.62500 -1.0 2.0
   70    44    49    57   3.62500 -1.0 2.0
   57    49    55    56   3.62500 -1.0 2.0
   57    49    55    61   3.62500 -1.0 2.0
   58    57    63    39   1.00000 -1.0 2.0
   58    57    63    64  -0.11900  1.0 1.0
   58    57    63    64   0.76850 -1.0 2.0
   58    57    63    64   0.14100  1.0 3.0
   63    39    41    42   1.00000 -1.0 2.0
   63    39   -41    44  -1.65800  1.0 1.0
   63    39   -41    44   0.77650 -1.0 2.0
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
   33    40    37    38  10.50000 -1.0 2.0
   43    65    40    37   4.00000 -1.0 2.0
   45    47    43    40   4.00000 -1.0 2.0
   50    46    45    43   1.10000 -1.0 2.0
   59    51    50    45   4.00000 -1.0 2.0
   65    60    59    50   1.10000 -1.0 2.0
   59    68    65    40   4.00000 -1.0 2.0
   43    52    47    48  10.50000 -1.0 2.0
   33    41    39    63   1.10000 -1.0 2.0
   39    44    41    42  10.50000 -1.0 2.0
   49    70    44    41   4.00000 -1.0 2.0
   55    57    49    44   4.00000 -1.0 2.0
   61    56    55    49   1.10000 -1.0 2.0
   66    62    61    55   4.00000 -1.0 2.0
   70    67    66    61   1.10000 -1.0 2.0
   66    71    70    44   4.00000 -1.0 2.0
   49    63    57    58  10.50000 -1.0 2.0
   57    64    63    39   1.10000 -1.0 2.0
END
