* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    226     420
    1     0 S   NP   _N1_     1    29.08896    95.34316   -19.60652
    2     1 S   H    _HN1     2     1.02968    91.84543    41.99493
    3     1 S   H    _H1_     3     1.02830    35.78363   159.08245
    4     1 S   H    _H2_     4     1.02771    82.95311   -66.26754
    5     1 S   CT   _CA1     5     1.50136   145.87298   173.81857
    6     5 S   HC   _HA1     6     1.09587   105.17098    49.80424
    7     5 S   CO3  _C1_     7     1.53714   112.53187   -70.10284
    8     7 S   O2Z  _O11     8     1.26326   114.99701   -40.66119
    9     7 S   O2Z  _O12     9     1.26261   114.91836   138.54631
   10     5 S   CT   _CB1    10     1.53107   107.37708   167.48637
   11    10 S   HC   HB11    11     1.09807   108.96181   -52.79963
   12    10 S   HC   HB12    12     1.09822   110.51017    63.62484
   13    10 S   CT   _CG1    13     1.52972   112.80178  -174.16575
   14    13 S   HC   HG11    14     1.09528   110.12639   -67.95135
   15    13 S   HC   HG12    15     1.09653   110.15147    51.16228
   16    13 S   C    _CD1    16     1.51803   112.52679   171.16838
   17    16 S   O    _OE1    17     1.22715   123.25999    -9.60844
   18    16 S   N    _N2_    18     1.38629   111.63768   171.60864
   19    18 S   H    _HN2    19     1.01595   118.97674    -0.63704
   20    18 S   CT1  _CA2    20     1.46216   123.41004   178.52873
   21    20 S   HC   _HA2    21     1.09734   109.31486   -15.94480
   22    20 S   C    _C2_    22     1.53463   107.98826  -131.46423
   23    22 S   O    _O2_    23     1.23002   122.31167  -145.21170
   24    20 S   CT   _CB2    32     1.53329   111.65911   106.43512
   25    24 S   HC   HB21    33     1.09549   109.96269    55.04361
   26    24 S   HC   HB22    34     1.09527   110.53291   173.02253
   27    22 S   N    _N3_    24     1.38529   113.30265    42.03065
   28    27 S   H    _HN3    25     1.01533   118.90952    -0.47064
   29    24 S   S    _SG2    35     1.82935   112.04738   -68.23621
   30    27 S   CT   _CA3    26     1.45455   123.49756   175.21120
   31    30 S   HC   HA31    27     1.09518   109.29226    23.14586
   32    30 S   HC   HA32    28     1.09495   107.10084   140.16613
   33    29 S   CT   _C18    36     1.82589    99.72839   137.59717
   34    33 S   HC   _H20    37     1.09402   107.57927    47.93658
   35    33 S   HC   _H21    38     1.09581   107.08821   162.75651
   36    30 S   CO3  _C3_    29     1.52925   113.10053  -100.36901
   37    36 S   O2Z  _O31    30     1.26405   115.40897   -43.97062
   38    36 S   O2Z  _O32    31     1.26354   114.97718   136.95684
   39    33 S   CT   _C9_    39     1.53166   112.39521   -75.76007
   40    39 S   HC   _H5_    40     1.09187   111.93378    38.08912
   41    39 S   CO4  _C10    41     1.51112   112.33589   -82.96386
   42    41 S   O    _O33    42     1.22124   126.10712    44.32427
   43    41 S   OS   _O34    43     1.36605   110.09977  -137.15891
   44    43 S   CT   _C11    44     1.44197   111.26851    -2.34067
   45    44 S   HC   _H6_    45     1.09851   106.06253   134.52077
   46    39 S   CT   _C8_    46     1.53257   112.11677   163.56344
   47    46 S   HC   _H4_    47     1.10243   106.28475    37.94346
   48    44 S   CT   _C12    64     1.54441   110.44832  -108.24581
   49    46 S   CT   _C7_    48     1.53656   115.56082   -78.42144
   50    49 S   HC   _H13    49     1.09699   109.42716   170.18476
   51    49 S   HC   _H14    50     1.09748   107.61746    56.67324
   52    48 S   CT   _C17    65     1.53652   114.56161    44.07375
   53    52 S   HC   _H17    66     1.08931   112.98761    61.76473
   54    52 S   HC   _H18    67     1.09595   111.09115   -58.81940
   55    52 S   HC   _H19    68     1.09625   111.73046  -176.71467
   56    49 S   CT   _C6_    51     1.53024   117.29512   -64.03002
   57    56 S   HC   _H11    52     1.09302   110.67815    42.87987
   58    56 S   HC   _H12    53     1.09912   107.61816   156.64031
   59    56 S   CT   _C5_    54     1.54118   114.99108   -84.27954
   60    59 S   HC   _H3_    55     1.10111   106.11325   -79.23745
   61    59 S   CT   _C13    56     1.54002   113.36788    35.81503
   62    61 S   HC   _H7_    57     1.10248   105.26611   -73.37625
   63    59 S   CT   _C4_    69     1.53309   110.09403   167.71626
   64    63 S   HC   _H8_    70     1.09179   112.63957   -62.46233
   65    63 S   HC   _H9_    71     1.09403   111.69550   175.45666
   66    63 S   HC   _H10    72     1.09619   110.01838    56.82884
   67    61 S   CM   _C14    58     1.50414   116.63008   172.98343
   68    67 S   HC   _H15    59     1.08221   122.92621    35.34880
   69    67 S   CM   _C15    60     1.33395   113.91671  -150.78963
   70    69 S   HC   _H16    61     1.07518   128.88116  -175.40300
   71    69 S   CO4  _C16    62     1.47330   105.43988     3.68892
   72    71 S   O    _O35    63     1.22210   122.32421  -169.76941
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  19   7  12   5  17
   9   5   4  10   4   3   2  11   5   4  11   7  11   5   4   2
   1   1   5   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    49  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    49    50    51    56    48  
   41    42    43    44    46    47    49  
   42    43    44    45    46    47    49    48  
   43    44    46  
   44    45    46    47    49    61    71    48    52  
   45    46    47    49    50    51    56    59    61    62    67    69    71    72    48    52    53    54    55  
   46    47    49    61    71    48    52  
   47    49    50    51    56    57    58    59    61    71    48    52  
   49    50    51    56    48  
   52    53    54    55    63    49    56    59    60    61    62    67    68    69    70    71    72  
   50    51    56    57    58    59    60    61    63  
   51    56    57    58    59  
   56    57    58    59  
   53    54    55    59    61    62    67    69    71    72  
   54    55    61    71  
   55    61    71  
   61    71  
   57    58    59    60    61    62    67    63    64    65    66  
   58    59    60    61    63  
   59    60    61    63  
   60    61    62    67    68    69    71    63    64    65    66  
   61    62    67    63    64    65    66  
   62    67    68    69    70    71    72    63    64    65    66  
   67    68    69    71    63  
   64    65    66    67  
   65    66  
   66  
    0  
   68    69    70    71    72  
   69    70    71  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   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    67   317.000  1.510
   61    48   268.000  1.529
   67    68   340.000  1.080
   67    69   549.000  1.340
   69    70   340.000  1.080
   69    71   320.000  1.462
   71    72   570.000  1.229
   71    48   317.000  1.522
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    49    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    48    61    58.35000  112.70000
   44    48    71    63.00000  111.10000
   44    48    52    58.35000  112.70000
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    56    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    63    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    67    70.00000  112.02700
   59    61    48    58.35000  112.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    66    37.50000  110.70000
   61    59    60    37.50000  110.70000
   61    67    68    35.00000  117.00000
   61    67    69    70.00000  124.00000
   61    48    71    63.00000  111.10000
   61    48    52    58.35000  112.70000
   67    61    62    35.00000  109.50000
   67    69    70    35.00000  120.00000
   67    69    71    65.00000  118.96000
   69    67    68    35.00000  120.00000
   69    71    72    80.00000  123.72100
   69    71    48    65.00000  118.62400
   71    69    70    40.00000  117.72500
   71    48    52    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    61    62    37.50000  110.70000
   48    61    67    70.00000  112.02700
   48    71    72    80.00000  120.40000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    55    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   63    59    60    37.50000  110.70000
   63    59    61    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    49   0.56750  1.0 1.0
   33    39    46    49  -0.07550 -1.0 2.0
   33    39    46    49   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    49    50   0.15000  1.0 3.0
   39    46    49    51   0.15000  1.0 3.0
   39    46    49    56   0.56750  1.0 1.0
   39    46    49    56  -0.07550 -1.0 2.0
   39    46    49    56   0.20000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    49   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    49  -0.95700  1.0 1.0
   41    39    46    49  -0.18200 -1.0 2.0
   41    39    46    49   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    49   0.62750  1.0 1.0
   43    44    46    49  -0.30950 -1.0 2.0
   43    44    46    49   0.27300  1.0 3.0
   43    44    48    61   0.62750  1.0 1.0
   43    44    48    61  -0.30950 -1.0 2.0
   43    44    48    61   0.27300  1.0 3.0
   43    44    48    71  -0.09450  1.0 1.0
   43    44    48    71  -1.12950 -1.0 2.0
   43    44    48    71   0.54000  1.0 3.0
   43    44    48    52   0.62750  1.0 1.0
   43    44    48    52  -0.30950 -1.0 2.0
   43    44    48    52   0.27300  1.0 3.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    51   0.15000  1.0 3.0
   44    46    49    56   0.56750  1.0 1.0
   44    46    49    56  -0.07550 -1.0 2.0
   44    46    49    56   0.20000  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    54   0.15000  1.0 3.0
   44    48    52    55   0.15000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    48    61   0.15000  1.0 3.0
   45    44    48    71  -0.11250  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    61   0.56750  1.0 1.0
   46    44    48    61  -0.07550 -1.0 2.0
   46    44    48    61   0.20000  1.0 3.0
   46    44    48    71  -0.95700  1.0 1.0
   46    44    48    71  -0.18200 -1.0 2.0
   46    44    48    71   0.29450  1.0 3.0
   46    44    48    52   0.56750  1.0 1.0
   46    44    48    52  -0.07550 -1.0 2.0
   46    44    48    52   0.20000  1.0 3.0
   46    49    56    57   0.15000  1.0 3.0
   46    49    56    58   0.15000  1.0 3.0
   46    49    56    59   0.56750  1.0 1.0
   46    49    56    59  -0.07550 -1.0 2.0
   46    49    56    59   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    56   0.15000  1.0 3.0
   49    56    59    60   0.15000  1.0 3.0
   49    56    59    61   0.56750  1.0 1.0
   49    56    59    61  -0.07550 -1.0 2.0
   49    56    59    61   0.20000  1.0 3.0
   49    56    59    63   0.56750  1.0 1.0
   49    56    59    63  -0.07550 -1.0 2.0
   49    56    59    63   0.20000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    59   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   51    49    56    59   0.15000  1.0 3.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    67   0.34400  1.0 1.0
   56    59    61    67   0.09450 -1.0 2.0
   56    59    61    67   0.11100  1.0 3.0
   56    59    61    48   0.56750  1.0 1.0
   56    59    61    48  -0.07550 -1.0 2.0
   56    59    61    48   0.20000  1.0 3.0
   56    59    63    64   0.15000  1.0 3.0
   56    59    63    65   0.15000  1.0 3.0
   56    59    63    66   0.15000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    63   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    63   0.15000  1.0 3.0
   59    61    67    68   0.00000  1.0 1.0
   59    61    67    69   0.09850  1.0 1.0
   59    61    67    69   0.15250 -1.0 2.0
   59    61    67    69  -0.50650  1.0 3.0
   59    61    48    44   0.56750  1.0 1.0
   59    61    48    44  -0.07550 -1.0 2.0
   59    61    48    44   0.20000  1.0 3.0
   59    61    48    71  -0.95700  1.0 1.0
   59    61    48    71  -0.18200 -1.0 2.0
   59    61    48    71   0.29450  1.0 3.0
   59    61    48    52   0.56750  1.0 1.0
   59    61    48    52  -0.07550 -1.0 2.0
   59    61    48    52   0.20000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    67   0.15000  1.0 3.0
   60    59    61    48   0.15000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   61    59    63    66   0.15000  1.0 3.0
   61    67    69    70   7.00000 -1.0 2.0
   61    67   -69    71   7.00000 -1.0 2.0
   61    48    52    53   0.15000  1.0 3.0
   61    48    52    54   0.15000  1.0 3.0
   61    48    52    55   0.15000  1.0 3.0
   62    61    67    68   0.33100  1.0 3.0
   62    61    67    69   0.00000  1.0 1.0
   62    61    48    44   0.15000  1.0 3.0
   62    61    48    71  -0.11250  1.0 3.0
   62    61    48    52   0.15000  1.0 3.0
   67    61    48    44   0.34400  1.0 1.0
   67    61    48    44   0.09450 -1.0 2.0
   67    61    48    44   0.11100  1.0 3.0
   67    61   -48    71  -0.98800  1.0 1.0
   67    61   -48    71   0.48800 -1.0 2.0
   67    61   -48    71   0.76800  1.0 3.0
   67    61    48    52   0.34400  1.0 1.0
   67    61    48    52   0.09450 -1.0 2.0
   67    61    48    52   0.11100  1.0 3.0
   67    69    71    72   1.00000 -1.0 2.0
   67    69   -71    48  -0.33500  1.0 1.0
   67    69   -71    48   1.06600 -1.0 2.0
   67    69   -71    48  -0.14000  1.0 3.0
   68    67    69    70   7.00000 -1.0 2.0
   68    67    69    71   7.00000 -1.0 2.0
   69    71    48    44   0.65300  1.0 1.0
   69    71    48    44  -0.03850 -1.0 2.0
   69    71    48    44   0.33900  1.0 3.0
   69    71   -48    61   0.65300  1.0 1.0
   69    71   -48    61  -0.03850 -1.0 2.0
   69    71   -48    61   0.33900  1.0 3.0
   69    71    48    52   0.65300  1.0 1.0
   69    71    48    52  -0.03850 -1.0 2.0
   69    71    48    52   0.33900  1.0 3.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    48   0.04550  1.0 1.0
   70    69    71    48   0.83000 -1.0 2.0
   70    69    71    48  -0.04000  1.0 3.0
   71    48    52    53  -0.11250  1.0 3.0
   71    48    52    54  -0.11250  1.0 3.0
   71    48    52    55  -0.11250  1.0 3.0
   72    71    48    44   0.30150 -1.0 2.0
   72    71    48    61   0.30150 -1.0 2.0
   72    71    48    52   0.30150 -1.0 2.0
   48    44    46    39   0.56750  1.0 1.0
   48    44    46    39  -0.07550 -1.0 2.0
   48    44    46    39   0.20000  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    49   0.56750  1.0 1.0
   48    44    46    49  -0.07550 -1.0 2.0
   48    44    46    49   0.20000  1.0 3.0
   48    61    67    68   0.00000  1.0 1.0
   48    61   -67    69   0.09850  1.0 1.0
   48    61   -67    69   0.15250 -1.0 2.0
   48    61   -67    69  -0.50650  1.0 3.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    67   0.34400  1.0 1.0
   63    59    61    67   0.09450 -1.0 2.0
   63    59    61    67   0.11100  1.0 3.0
   63    59    61    48   0.56750  1.0 1.0
   63    59    61    48  -0.07550 -1.0 2.0
   63    59    61    48   0.20000  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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   61    68    67    69   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   69    48    71    72  10.50000 -1.0 2.0
END
