* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    142    236     425
    1     0 S   NP   _N1_     1    28.04409    97.34250   -23.40877
    2     1 S   H    _HN1     2     1.02957    72.77551    -9.74508
    3     1 S   H    _H1_     3     1.02835    35.89734   152.43088
    4     1 S   H    _H2_     4     1.02777   109.41038  -113.63202
    5     1 S   CT   _CA1     5     1.50148   134.07264    92.23509
    6     5 S   HC   _HA1     6     1.09577   105.18574    92.13925
    7     5 S   CO3  _C1_     7     1.53766   112.32515   -27.99329
    8     7 S   O2Z  _O11     8     1.26368   114.98752   -44.21415
    9     7 S   O2Z  _O12     9     1.26230   114.92312   134.73142
   10     5 S   CT   _CB1    10     1.53082   107.40361  -149.99897
   11    10 S   HC   HB11    11     1.09831   109.26360   -50.43662
   12    10 S   HC   HB12    12     1.09814   110.45929    66.09369
   13    10 S   CT   _CG1    13     1.53042   112.71902  -171.49421
   14    13 S   HC   HG11    14     1.09590   110.53243   -65.75812
   15    13 S   HC   HG12    15     1.09660   109.88003    53.46276
   16    13 S   C    _CD1    16     1.51860   112.22195   173.78334
   17    16 S   O    _OE1    17     1.22770   123.24933     2.94357
   18    16 S   N    _N2_    18     1.38575   111.81616  -176.98390
   19    18 S   H    _HN2    19     1.01561   119.10252     3.58501
   20    18 S   CT1  _CA2    20     1.45820   122.74032   177.31496
   21    20 S   HC   _HA2    21     1.09734   108.84518    26.32239
   22    20 S   C    _C2_    22     1.52976   106.99590   -90.68123
   23    22 S   O    _O2_    23     1.22980   123.07791   -26.80320
   24    20 S   CT   _CB2    32     1.53204   112.41223   149.54884
   25    24 S   HC   HB21    33     1.09594   110.24995    54.62238
   26    24 S   HC   HB22    34     1.09440   109.88075   173.52995
   27    22 S   N    _N3_    24     1.38504   112.56330   155.93040
   28    27 S   H    _HN3    25     1.01657   120.34815    -2.23476
   29    24 S   S    _SG2    35     1.82481   111.26557   -66.23432
   30    27 S   CT   _CA3    26     1.45356   122.47807   178.58625
   31    30 S   HC   HA31    27     1.09568   107.83549   -55.24924
   32    30 S   HC   HA32    28     1.09562   107.58900    61.08821
   33    29 S   CT   _C15    36     1.83666    99.65469   174.55212
   34    33 S   HC   _H7_    37     1.09991   106.43770   -48.49650
   35    30 S   CO3  _C3_    29     1.52885   114.32338  -177.16372
   36    35 S   O2Z  _O31    30     1.26333   116.05219     0.22206
   37    35 S   O2Z  _O32    31     1.26436   114.41313  -179.82868
   38    33 S   CT   _C14    38     1.52954   111.82199    70.36494
   39    38 S   HC   _H13    39     1.09521   111.71228   -69.87854
   40    38 S   HC   _H14    40     1.09344   108.66433    49.36977
   41    38 S   CT   _C11    41     1.54832   103.88080   169.62946
   42    41 S   CT   _C12    42     1.55484   114.27743  -157.79915
   43    42 S   HC   _H6_    43     1.09530   112.94659   -82.31134
   44    41 S   CT   _C10    61     1.58405   105.02360   -29.63222
   45    41 S   OH   _O38    71     1.43973   105.13359    85.56940
   46    45 S   HO   _H15    72     0.97241   108.32661    62.24610
   47    42 S   CO4  _C13    44     1.51133   110.48818    40.45247
   48    47 S   O    _O33    45     1.21970   126.68189   -93.60644
   49    33 S   CT   _C16    62     1.54256   117.00301  -171.45415
   50    49 S   OM   _O37    63     1.31934   111.57798    72.15726
   51    44 S   CT   _C18    67     1.55470   111.83262   127.55914
   52    51 S   HC   _H16    68     1.09640   111.54591   -63.43115
   53    51 S   HC   _H17    69     1.09661   111.69576   176.42483
   54    51 S   HC   _H18    70     1.08802   112.68556    57.09504
   55    47 S   OS   _O34    46     1.36863   108.10695    85.67450
   56    49 S   CO4  _C17    64     1.52166   117.40702   -49.71840
   57    56 S   O    _O35    65     1.22314   127.19908    51.05424
   58    55 S   CT   _C8_    47     1.44950   108.30148     4.03279
   59    58 S   HC   _H4_    48     1.09518   106.81357   146.70709
   60    63 S   OS   _O36    66     1.43647   107.53769   -36.49351
   61    42 S   CT   _C7_    49     1.54008   114.87514   149.19848
   62    61 S   HC   _H3_    50     1.10454   106.89357  -177.39571
   63    58 S   CT   _C9_    59     1.54112   109.39582   -93.35722
   64    63 S   HC   _H5_    60     1.09626   108.26445  -151.13865
   65    61 S   CM   _C5_    51     1.50845   121.67937    64.20190
   66    65 S   CM   _C6_    52     1.34350   122.86705    27.46568
   67    66 S   HC   _H11    53     1.08542   121.32959   177.72824
   68    66 S   HC   _H12    54     1.08370   122.10905    -1.63423
   69    65 S   CT   _C4_    55     1.50490   116.94131  -157.68656
   70    69 S   HC   _H8_    56     1.09497   110.27651   -52.38493
   71    69 S   HC   _H9_    57     1.09362   110.82695    68.00203
   72    69 S   HC   _H10    58     1.09542   112.15983  -172.01667
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  15   6   5  22  17   9  18   6   1   8   3
  11   5   8   3   2   1   8   5   2   9   6   3  11   4   2   1
   7   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    49    50    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    63    44    49    50    56    57    60    51    45  
   38    39    40    41    44    49    50    56  
   36    37  
   37  
    0  
   39    40    41    42    43    47    61    63    44    49    50    56    51    45    46  
   40    41    42    44    49    45  
   41    42    44    49    45  
   42    43    47    48    55    58    61    62    65    63    64    44    49    50    56    60    51    52    53    54    45    46  
   43    47    48    55    58    59    61    62    65    66    69    63    44    49    51    45    46  
   47    48    55    58    61    62    65    44    45  
   49    50    56    57    60    51    52    53    54    45    46    47    55    58    59    61    63    64  
   46    47    49    51    61    63  
    0  
   48    55    58    59    61    62    65    63  
   55    58    61  
   50    56    57    60    51    52    53    54    58    63    64  
   56    57    60    51    63  
   52    53    54    56    58    60    63    64  
   53    54    63  
   54    63  
   63  
   58    59    61    62    65    63    64    60  
   57    60    58    63    64  
   60    63  
   59    61    62    65    66    69    63    64    60  
   61    62    65    63    64    60  
   61    63    64  
   62    65    66    67    68    69    70    71    72    63    64  
   65    66    69    63  
   64    65  
    0  
   66    67    68    69    70    71    72  
   67    68    69    70    71    72  
   68    69  
   69  
   70    71    72  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   268.000  1.529
   41    44   268.000  1.529
   41    45   320.000  1.410
   42    43   340.000  1.090
   42    47   317.000  1.522
   42    61   268.000  1.529
   47    48   570.000  1.229
   47    55   214.000  1.327
   55    58   320.000  1.410
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    63   268.000  1.529
   61    62   340.000  1.090
   61    65   317.000  1.510
   65    66   549.000  1.340
   65    69   317.000  1.510
   66    67   340.000  1.080
   66    68   340.000  1.080
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   63    64   340.000  1.090
   63    44   268.000  1.529
   63    60   320.000  1.410
   44    49   268.000  1.529
   44    51   268.000  1.529
   49    50   570.000  1.307
   49    56   317.000  1.522
   56    57   570.000  1.229
   56    60   214.000  1.327
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    44    58.35000  112.70000
   33    49    50    50.00000  109.50000
   33    49    56    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    58.35000  112.70000
   38    41    44    58.35000  112.70000
   38    41    45    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    42    43    37.50000  110.70000
   41    42    47    63.00000  111.10000
   41    42    61    58.35000  112.70000
   41    44    63    58.35000  112.70000
   41    44    49    58.35000  112.70000
   41    44    51    58.35000  112.70000
   41    45    46    55.00000  108.50000
   42    47    48    80.00000  120.40000
   42    47    55    81.00000  111.40000
   42    61    58    58.35000  112.70000
   42    61    62    37.50000  110.70000
   42    61    65    70.00000  112.02700
   47    42    43    35.00000  109.50000
   47    55    58    83.00000  116.90000
   55    47    48    83.00000  123.40000
   55    58    59    35.00000  109.50000
   55    58    61    50.00000  109.50000
   55    58    63    50.00000  109.50000
   58    61    62    37.50000  110.70000
   58    61    65    70.00000  112.02700
   58    63    64    37.50000  110.70000
   58    63    44    58.35000  112.70000
   58    63    60    50.00000  109.50000
   61    42    43    37.50000  110.70000
   61    42    47    63.00000  111.10000
   61    58    59    37.50000  110.70000
   61    65    66    70.00000  124.00000
   61    65    69    65.00000  117.92700
   65    61    62    35.00000  109.50000
   65    66    67    35.00000  120.00000
   65    66    68    35.00000  120.00000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    72    35.00000  109.50000
   68    66    67    35.00000  117.00000
   69    65    66    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    61    58.35000  112.70000
   63    44    49    58.35000  112.70000
   63    44    51    58.35000  112.70000
   63    60    56    83.00000  116.90000
   44    41    42    58.35000  112.70000
   44    63    64    37.50000  110.70000
   44    49    50    50.00000  109.50000
   44    49    56    63.00000  111.10000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    54    37.50000  110.70000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    56    57    80.00000  120.40000
   49    56    60    81.00000  111.40000
   56    49    50    90.00000  108.74100
   60    63    64    35.00000  109.50000
   60    63    44    50.00000  109.50000
   60    56    57    83.00000  123.40000
   51    44    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   45    41    42    50.00000  109.50000
   45    41    44    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    44   0.44750  1.0 1.0
   29    33    49    44  -0.17800 -1.0 2.0
   29    33    49    44   0.20200  1.0 3.0
   29    33    49    50   0.56750  1.0 1.0
   29    33    49    50  -0.07550 -1.0 2.0
   29    33    49    50   0.20000  1.0 3.0
   29    33    49    56   0.56750  1.0 1.0
   29    33    49    56  -0.07550 -1.0 2.0
   29    33    49    56   0.20000  1.0 3.0
   33    38    41    42   0.56750  1.0 1.0
   33    38    41    42  -0.07550 -1.0 2.0
   33    38    41    42   0.20000  1.0 3.0
   33    38   -41    44   0.56750  1.0 1.0
   33    38   -41    44  -0.07550 -1.0 2.0
   33    38   -41    44   0.20000  1.0 3.0
   33    38    41    45   0.86500  1.0 1.0
   33    38    41    45  -0.17500 -1.0 2.0
   33    38    41    45   0.20800  1.0 3.0
   33    49    56    57   0.30150 -1.0 2.0
   33    49    56    60   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    44   0.15000  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   34    33    49    56  -0.11250  1.0 3.0
   38    33   -49    44   0.56750  1.0 1.0
   38    33   -49    44  -0.07550 -1.0 2.0
   38    33   -49    44   0.20000  1.0 3.0
   38    33    49    50   0.62750  1.0 1.0
   38    33    49    50  -0.30950 -1.0 2.0
   38    33    49    50   0.27300  1.0 3.0
   38    33    49    56  -0.95700  1.0 1.0
   38    33    49    56  -0.18200 -1.0 2.0
   38    33    49    56   0.29450  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    47  -0.95700  1.0 1.0
   38    41    42    47  -0.18200 -1.0 2.0
   38    41    42    47   0.29450  1.0 3.0
   38    41    42    61   0.56750  1.0 1.0
   38    41    42    61  -0.07550 -1.0 2.0
   38    41    42    61   0.20000  1.0 3.0
   38    41    44    63   0.56750  1.0 1.0
   38    41    44    63  -0.07550 -1.0 2.0
   38    41    44    63   0.20000  1.0 3.0
   38    41   -44    49   0.56750  1.0 1.0
   38    41   -44    49  -0.07550 -1.0 2.0
   38    41   -44    49   0.20000  1.0 3.0
   38    41    44    51   0.56750  1.0 1.0
   38    41    44    51  -0.07550 -1.0 2.0
   38    41    44    51   0.20000  1.0 3.0
   38    41    45    46  -0.11600  1.0 1.0
   38    41    45    46  -0.09450 -1.0 2.0
   38    41    45    46   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    41    45   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   40    38    41    45   0.23400  1.0 3.0
   41    42    47    48   0.30150 -1.0 2.0
   41    42    47    55   0.36750  1.0 3.0
   41    42    61    58   0.56750  1.0 1.0
   41    42    61    58  -0.07550 -1.0 2.0
   41    42    61    58   0.20000  1.0 3.0
   41    42    61    62   0.15000  1.0 3.0
   41    42    61    65   0.34400  1.0 1.0
   41    42    61    65   0.09450 -1.0 2.0
   41    42    61    65   0.11100  1.0 3.0
   41    44   -49    33   0.56750  1.0 1.0
   41    44   -49    33  -0.07550 -1.0 2.0
   41    44   -49    33   0.20000  1.0 3.0
   41    44    49    50   0.62750  1.0 1.0
   41    44    49    50  -0.30950 -1.0 2.0
   41    44    49    50   0.27300  1.0 3.0
   41    44    49    56  -0.95700  1.0 1.0
   41    44    49    56  -0.18200 -1.0 2.0
   41    44    49    56   0.29450  1.0 3.0
   41    44    51    52   0.15000  1.0 3.0
   41    44    51    53   0.15000  1.0 3.0
   41    44    51    54   0.15000  1.0 3.0
   42    41    44    63   0.56750  1.0 1.0
   42    41    44    63  -0.07550 -1.0 2.0
   42    41    44    63   0.20000  1.0 3.0
   42    41    44    49   0.56750  1.0 1.0
   42    41    44    49  -0.07550 -1.0 2.0
   42    41    44    49   0.20000  1.0 3.0
   42    41    44    51   0.56750  1.0 1.0
   42    41    44    51  -0.07550 -1.0 2.0
   42    41    44    51   0.20000  1.0 3.0
   42    41    45    46  -0.11600  1.0 1.0
   42    41    45    46  -0.09450 -1.0 2.0
   42    41    45    46   0.21250  1.0 3.0
   42    47   -55    58   1.63150  1.0 1.0
   42    47   -55    58   2.92000 -1.0 2.0
   42    61    65    66   0.09850  1.0 1.0
   42    61    65    66   0.15250 -1.0 2.0
   42    61    65    66  -0.50650  1.0 3.0
   42    61    65    69   0.46850  1.0 1.0
   42    61    65    69   0.08550 -1.0 2.0
   42    61    65    69   0.09800  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    55   0.00000  1.0 1.0
   43    42    61    58   0.15000  1.0 3.0
   43    42    61    62   0.15000  1.0 3.0
   43    42    61    65   0.15000  1.0 3.0
   47    42   -61    58  -0.95700  1.0 1.0
   47    42   -61    58  -0.18200 -1.0 2.0
   47    42   -61    58   0.29450  1.0 3.0
   47    42    61    62  -0.11250  1.0 3.0
   47    42    61    65  -0.98800  1.0 1.0
   47    42    61    65   0.48800 -1.0 2.0
   47    42    61    65   0.76800  1.0 3.0
   47    55    58    59   0.08050  1.0 3.0
   47    55   -58    61  -0.25900  1.0 1.0
   47    55   -58    61  -0.47000 -1.0 2.0
   47    55   -58    61   0.11750  1.0 3.0
   47    55    58    63  -0.25900  1.0 1.0
   47    55    58    63  -0.47000 -1.0 2.0
   47    55    58    63   0.11750  1.0 3.0
   48    47    55    58   3.00000 -1.0 2.0
   55    58   -61    42   0.62750  1.0 1.0
   55    58   -61    42  -0.30950 -1.0 2.0
   55    58   -61    42   0.27300  1.0 3.0
   55    58    61    62   0.23400  1.0 3.0
   55    58    61    65   0.61850  1.0 1.0
   55    58    61    65  -0.22750 -1.0 2.0
   55    58    61    65   0.15300  1.0 3.0
   55    58    63    64   0.23400  1.0 3.0
   55    58    63    44   0.62750  1.0 1.0
   55    58    63    44  -0.30950 -1.0 2.0
   55    58    63    44   0.27300  1.0 3.0
   55    58    63    60   1.11900  1.0 1.0
   55    58    63    60  -1.16350 -1.0 2.0
   55    58    63    60  -0.34150  1.0 3.0
   58    61    65    66   0.09850  1.0 1.0
   58    61    65    66   0.15250 -1.0 2.0
   58    61    65    66  -0.50650  1.0 3.0
   58    61    65    69   0.46850  1.0 1.0
   58    61    65    69   0.08550 -1.0 2.0
   58    61    65    69   0.09800  1.0 3.0
   58    63   -44    41   0.56750  1.0 1.0
   58    63   -44    41  -0.07550 -1.0 2.0
   58    63   -44    41   0.20000  1.0 3.0
   58    63    44    49   0.56750  1.0 1.0
   58    63    44    49  -0.07550 -1.0 2.0
   58    63    44    49   0.20000  1.0 3.0
   58    63    44    51   0.56750  1.0 1.0
   58    63    44    51  -0.07550 -1.0 2.0
   58    63    44    51   0.20000  1.0 3.0
   58    63    60    56  -0.25900  1.0 1.0
   58    63    60    56  -0.47000 -1.0 2.0
   58    63    60    56   0.11750  1.0 3.0
   59    58    61    42   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    65   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    44   0.15000  1.0 3.0
   59    58    63    60   0.23400  1.0 3.0
   61    42    47    48   0.30150 -1.0 2.0
   61    42   -47    55   0.36750  1.0 3.0
   61    58    63    64   0.15000  1.0 3.0
   61    58    63    44   0.56750  1.0 1.0
   61    58    63    44  -0.07550 -1.0 2.0
   61    58    63    44   0.20000  1.0 3.0
   61    58    63    60   0.62750  1.0 1.0
   61    58    63    60  -0.30950 -1.0 2.0
   61    58    63    60   0.27300  1.0 3.0
   61    65    66    67   7.00000 -1.0 2.0
   61    65    66    68   7.00000 -1.0 2.0
   61    65    69    70   0.34800  1.0 3.0
   61    65    69    71   0.34800  1.0 3.0
   61    65    69    72   0.34800  1.0 3.0
   62    61    65    66   0.00000  1.0 1.0
   62    61    65    69   0.34800  1.0 3.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    71   0.00000  1.0 1.0
   66    65    69    72   0.00000  1.0 1.0
   69    65    66    67   7.00000 -1.0 2.0
   69    65    66    68   7.00000 -1.0 2.0
   63    58   -61    42   0.56750  1.0 1.0
   63    58   -61    42  -0.07550 -1.0 2.0
   63    58   -61    42   0.20000  1.0 3.0
   63    58    61    62   0.15000  1.0 3.0
   63    58    61    65   0.34400  1.0 1.0
   63    58    61    65   0.09450 -1.0 2.0
   63    58    61    65   0.11100  1.0 3.0
   63    44    49    33   0.56750  1.0 1.0
   63    44    49    33  -0.07550 -1.0 2.0
   63    44    49    33   0.20000  1.0 3.0
   63    44    49    50   0.62750  1.0 1.0
   63    44    49    50  -0.30950 -1.0 2.0
   63    44    49    50   0.27300  1.0 3.0
   63    44   -49    56  -0.95700  1.0 1.0
   63    44   -49    56  -0.18200 -1.0 2.0
   63    44   -49    56   0.29450  1.0 3.0
   63    44    51    52   0.15000  1.0 3.0
   63    44    51    53   0.15000  1.0 3.0
   63    44    51    54   0.15000  1.0 3.0
   64    63    44    41   0.15000  1.0 3.0
   64    63    44    49   0.15000  1.0 3.0
   64    63    44    51   0.15000  1.0 3.0
   64    63    60    56   0.08050  1.0 3.0
   44    41    42    43   0.15000  1.0 3.0
   44    41    42    47  -0.95700  1.0 1.0
   44    41    42    47  -0.18200 -1.0 2.0
   44    41    42    47   0.29450  1.0 3.0
   44    41   -42    61   0.56750  1.0 1.0
   44    41   -42    61  -0.07550 -1.0 2.0
   44    41   -42    61   0.20000  1.0 3.0
   44    41    45    46  -0.11600  1.0 1.0
   44    41    45    46  -0.09450 -1.0 2.0
   44    41    45    46   0.21250  1.0 3.0
   44    63   -60    56  -0.25900  1.0 1.0
   44    63   -60    56  -0.47000 -1.0 2.0
   44    63   -60    56   0.11750  1.0 3.0
   44    49    56    57   0.30150 -1.0 2.0
   44    49   -56    60   0.36750  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    44    51    52   0.15000  1.0 3.0
   49    44    51    53   0.15000  1.0 3.0
   49    44    51    54   0.15000  1.0 3.0
   49    56   -60    63   1.63150  1.0 1.0
   49    56   -60    63   2.92000 -1.0 2.0
   50    49    56    57   0.30150 -1.0 2.0
   50    49    56    60   0.40000  1.0 3.0
   57    56    60    63   3.00000 -1.0 2.0
   60    63    44    41   0.62750  1.0 1.0
   60    63    44    41  -0.30950 -1.0 2.0
   60    63    44    41   0.27300  1.0 3.0
   60    63   -44    49   0.62750  1.0 1.0
   60    63   -44    49  -0.30950 -1.0 2.0
   60    63   -44    49   0.27300  1.0 3.0
   60    63    44    51   0.62750  1.0 1.0
   60    63    44    51  -0.30950 -1.0 2.0
   60    63    44    51   0.27300  1.0 3.0
   51    44    49    33   0.56750  1.0 1.0
   51    44    49    33  -0.07550 -1.0 2.0
   51    44    49    33   0.20000  1.0 3.0
   51    44    49    50   0.62750  1.0 1.0
   51    44    49    50  -0.30950 -1.0 2.0
   51    44    49    50   0.27300  1.0 3.0
   51    44    49    56  -0.95700  1.0 1.0
   51    44    49    56  -0.18200 -1.0 2.0
   51    44    49    56   0.29450  1.0 3.0
   45    41    42    43   0.23400  1.0 3.0
   45    41    42    47  -0.09450  1.0 1.0
   45    41    42    47  -1.12950 -1.0 2.0
   45    41    42    47   0.54000  1.0 3.0
   45    41    42    61   0.86500  1.0 1.0
   45    41    42    61  -0.17500 -1.0 2.0
   45    41    42    61   0.20800  1.0 3.0
   45    41    44    63   0.86500  1.0 1.0
   45    41    44    63  -0.17500 -1.0 2.0
   45    41    44    63   0.20800  1.0 3.0
   45    41    44    49   0.86500  1.0 1.0
   45    41    44    49  -0.17500 -1.0 2.0
   45    41    44    49   0.20800  1.0 3.0
   45    41    44    51   0.86500  1.0 1.0
   45    41    44    51  -0.17500 -1.0 2.0
   45    41    44    51   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    55    47    48  10.50000 -1.0 2.0
   61    69    65    66  15.00000 -1.0 2.0
   67    68    66    65  15.00000 -1.0 2.0
   49    60    56    57  10.50000 -1.0 2.0
END
