* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    138    205     391
    1     0 S   NP   _N1_     1    28.17296    98.33902   -20.95945
    2     1 S   H    _HN1     2     1.02956    66.29308    -6.12189
    3     1 S   H    _H1_     3     1.02834    48.18670   138.79250
    4     1 S   H    _H2_     4     1.02768    96.92044  -113.25022
    5     1 S   CT   _CA1     5     1.50166   149.27041    84.10524
    6     5 S   HC   _HA1     6     1.09561   105.18316    99.79153
    7     5 S   CO3  _C1_     7     1.53902   112.69053   -20.30345
    8     7 S   O2Z  _O11     8     1.26359   115.01455   -31.79206
    9     7 S   O2Z  _O12     9     1.26313   115.11837   147.67090
   10     5 S   CT   _CB1    10     1.53160   107.42691  -141.96396
   11    10 S   HC   HB11    11     1.09818   109.65485   -46.71276
   12    10 S   HC   HB12    12     1.09816   110.23014    70.00280
   13    10 S   CT   _CG1    13     1.52923   112.59296  -167.66602
   14    13 S   HC   HG11    14     1.09489   110.48998   -62.64397
   15    13 S   HC   HG12    15     1.09651   109.91601    56.55666
   16    13 S   C    _CD1    16     1.51734   112.66458   177.38431
   17    16 S   O    _OE1    17     1.22700   123.46060     1.65682
   18    16 S   N    _N2_    18     1.38512   111.37399  -178.99051
   19    18 S   H    _HN2    19     1.01564   118.93039     6.01914
   20    18 S   CT1  _CA2    20     1.45820   123.19915  -179.42973
   21    20 S   HC   _HA2    21     1.09729   108.99142    22.55415
   22    20 S   C    _C2_    22     1.52808   107.16114   -94.78308
   23    22 S   O    _O2_    23     1.22972   123.00298   -27.14100
   24    20 S   CT   _CB2    32     1.53239   111.58892   145.50563
   25    24 S   HC   HB21    33     1.09464   109.54249    55.74255
   26    24 S   HC   HB22    34     1.09497   110.29585   174.59350
   27    22 S   N    _N3_    24     1.38473   112.55395   155.63330
   28    27 S   H    _HN3    25     1.01661   120.41312    -2.02719
   29    24 S   S    _SG2    35     1.82811   110.40405   -65.76982
   30    27 S   CT   _CA3    26     1.45358   122.44569   178.62613
   31    30 S   HC   HA31    27     1.09567   107.71924   -57.93534
   32    30 S   HC   HA32    28     1.09565   107.69369    58.39268
   33    29 S   CT   _C10    36     1.86323   102.25599   161.68762
   34    30 S   CO3  _C3_    29     1.52886   114.33237  -179.76930
   35    34 S   O2Z  _O31    30     1.26334   116.05365     0.03956
   36    34 S   O2Z  _O32    31     1.26439   114.40973  -179.96574
   37    33 S   CT1  _C9_    37     1.55308   111.41165   174.60428
   38    37 S   HC   _H6_    38     1.09886   109.89680  -166.91527
   39    33 S   CT   _C11    68     1.54309   111.02485    46.87069
   40    39 S   HC   _H10    69     1.09624   110.62161    52.05234
   41    39 S   HC   _H11    70     1.09667   111.49219   -68.20891
   42    37 S   N4   _N4_    39     1.45748   106.51748    81.51215
   43    37 S   CO4  _C13    55     1.52505   119.04846   -47.12999
   44    43 S   O    _O36    56     1.22416   124.81116   141.29754
   45    39 S   OS   _O34    71     1.44160   110.70693   171.62021
   46    42 S   C4   _C8_    40     1.36886   128.27409   -75.68578
   47    46 S   O    _O33    41     1.20991   132.65477   -37.55450
   48    42 S   C4T  _C7_    44     1.46851   115.72536    43.78763
   49    48 S   HC   _H5_    45     1.09388   112.94854    95.95821
   50    43 S   OS   _O37    57     1.36277   110.02722   -42.86814
   51    45 S   CO4  _C12    72     1.36145   115.89211  -179.39026
   52    51 S   O    _O35    73     1.22494   125.49669    -0.00000
   53    46 S   C4T  _C6_    42     1.54329    91.40322   138.97460
   54    53 S   HC   _H4_    43     1.10198   110.14911   100.34259
   55    33 S   S    _S1_    46     1.88431   108.18951   -72.43062
   56    50 S   CO   _C14    58     1.43500   116.42280   177.12057
   57    56 S   HC   _H14    59     1.09592   110.49489    46.21259
   58    56 S   HC   _H15    60     1.09610   108.34544   162.94061
   59    51 S   N    _N5_    74     1.36839   110.23762   179.97202
   60    59 S   H    _H12    75     1.01340   120.96740   180.00000
   61    59 S   H    _H13    76     1.01322   121.16549     0.11014
   62    53 S   CT   _C5_    47     1.52394   116.27152  -134.18598
   63    62 S   HC   _H3_    48     1.09415   111.80956    48.96411
   64    56 S   OS   _O38    61     1.43526   112.55099   -75.24404
   65    62 S   CT   _C4_    49     1.52257   110.54021   172.35997
   66    65 S   HC   _H7_    50     1.09589   110.91091    60.41178
   67    65 S   HC   _H8_    51     1.09339   111.91418   -60.47400
   68    65 S   HC   _H9_    52     1.09523   110.49559   178.56155
   69    62 S   OH   _O40    53     1.42655   107.85414   -69.10716
   70    69 S   HO   _H19    54     0.97569   108.05567  -174.42072
   71    64 S   CO4  _C15    62     1.36295   115.67632   -69.67222
   72    71 S   O    _O39    63     1.22346   126.31433    -1.83686
   73    71 S   CT   _C16    64     1.49812   109.62380   177.78618
   74    73 S   HC   _H16    65     1.09295   109.79186   -61.33353
   75    73 S   HC   _H17    66     1.09383   109.34237   179.67434
   76    73 S   HC   _H18    67     1.09283   109.86798    60.61469
  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
  16   2   1   1  16   8  10   4   3  11   9   2   6  10   4   8
   4   5   4   3  10   5   1   6   3   2   2   1   1   7   6   6
   5   3   2   1   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    48    55    43    39    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    46    53    48    49    55    43    44    50    39    40    41    45    51  
   35    36  
   36  
    0  
   38    42    46    47    53    48    49    55    43    44    50    56    39    40    41    45  
   42    46    48    55    43    44    50    39  
   40    41    45    51    52    59    42    43    48    55  
   41    45    51    55  
   45    51    55  
   46    47    53    54    48    49    55    62    43    44    50  
   44    50    56    57    58    64    46    48    55  
   50    56  
   51    52    59    60    61    55  
   47    53    54    48    49    55    62    63    65    69  
   53    54    48    62  
   49    55    62    63    65    69    53    54  
   55    62    53    54  
   56    57    58    64    71  
   52    59    60    61  
   59    60    61  
   54    55    62    63    65    66    67    68    69    70  
   55    62    63    65    69  
   62  
   57    58    64    71    72    73  
   58    64    71  
   64    71  
   60    61  
   61  
    0  
   63    65    66    67    68    69    70  
   65    66    67    68    69    70  
   71    72    73    74    75    76  
   66    67    68    69    70  
   67    68    69  
   68    69  
   69  
   70  
    0  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   51   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   53   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   56   3.5000   0.0660   0.142800   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   59   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   61   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   62   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    55   222.000  1.810
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   337.000  1.449
   37    43   255.000  1.522
   42    46   440.000  1.369
   42    48   305.000  1.456
   46    47   930.000  1.212
   46    53   250.000  1.540
   53    54   340.000  1.090
   53    48   268.000  1.529
   53    62   260.000  1.519
   48    49   340.000  1.090
   48    55   200.000  1.824
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    69   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   553.000  0.945
   43    44   570.000  1.229
   43    50   214.000  1.327
   50    56   320.000  1.380
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   320.000  1.380
   64    71   214.000  1.327
   71    72   570.000  1.229
   71    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   320.000  1.410
   45    51   214.000  1.327
   51    52   570.000  1.229
   51    59   435.000  1.380
   59    60   434.000  1.010
   59    61   434.000  1.010
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  108.68000
   29    33    55    75.00000  118.28000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    80.00000  109.70000
   33    37    43    70.00000  110.61500
   33    55    48    85.00000   99.86700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    45    50.00000  109.50000
   37    42    46    50.00000  132.10000
   37    42    48    50.00000  132.70000
   37    43    44    75.00000  123.42600
   37    43    50    90.00000  109.72300
   42    37    38    35.00000  109.50000
   42    46    47    75.00000  131.60000
   42    46    53    95.00000   92.72400
   42    48    53   105.00000   87.49700
   42    48    49    50.00000  112.01000
   42    48    55    80.00000  108.62000
   46    53    54    40.00000  113.37500
   46    53    48   100.00000   86.36000
   46    53    62    63.00000  111.10000
   53    46    47    60.00000  136.58000
   53    48    49    37.50000  110.70000
   53    48    55    65.00000  119.05700
   53    62    63    45.00000  111.22300
   53    62    65    70.00000  112.98000
   53    62    69    50.00000  109.50000
   48    42    46   100.00000   93.00000
   48    53    54    37.50000  110.70000
   55    33    37    75.00000  108.68000
   55    48    49    45.00000  109.41400
   62    53    54    45.00000  112.72800
   62    53    48    65.00000  119.52000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    37.50000  110.70000
   62    69    70    55.00000  108.50000
   65    62    63    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    62    63    35.00000  109.50000
   69    62    65    50.00000  109.50000
   43    37    38    45.00000  110.09800
   43    37    42    80.00000  110.29000
   43    50    56    95.00000  111.08000
   50    43    44    83.00000  123.40000
   50    56    57    35.00000  109.50000
   50    56    58    35.00000  109.50000
   50    56    64    92.60000  111.55000
   56    64    71    95.00000  111.08000
   58    56    57    33.00000  109.50000
   64    56    57    35.00000  109.50000
   64    56    58    35.00000  109.50000
   64    71    72    83.00000  123.40000
   64    71    73    81.00000  111.40000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    35.00000  109.50000
   73    71    72    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    55    75.00000  111.63000
   39    45    51    83.00000  116.90000
   41    39    40    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    41    35.00000  109.50000
   45    51    52    83.00000  123.40000
   45    51    59   110.00000  108.75700
   51    59    60    50.00000  116.34900
   51    59    61    50.00000  116.34900
   59    51    52    85.00000  125.96000
   61    59    60    35.00000  120.00000
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    55   0.08500  1.0 1.0
   24    29    33    55  -0.53150 -1.0 2.0
   24    29    33    55   0.48050  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    42   0.71400  1.0 1.0
   29    33    37    42   0.04300 -1.0 2.0
   29    33    37    42   0.01450  1.0 3.0
   29    33    37    43  -2.17200  1.0 1.0
   29    33    37    43  -0.85700 -1.0 2.0
   29    33    55    48   0.08500  1.0 1.0
   29    33    55    48  -0.53150 -1.0 2.0
   29    33    55    48   0.48050  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    37    42    46   0.00000  1.0 1.0
   33    37   -42    48   0.00000  1.0 1.0
   33    37    43    44   0.00000  1.0 1.0
   33    37    43    50   0.36750  1.0 3.0
   33    39    45    51  -0.25900  1.0 1.0
   33    39    45    51  -0.47000 -1.0 2.0
   33    39    45    51   0.11750  1.0 3.0
   37    33   -55    48  -0.25000 -1.0 2.0
   37    33   -55    48  -0.01800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    45   0.62750  1.0 1.0
   37    33    39    45  -0.30950 -1.0 2.0
   37    33    39    45   0.27300  1.0 3.0
   37    42    46    47   3.00000 -1.0 2.0
   37    42    46    53   3.00000 -1.0 2.0
   37    42   -48    53   0.00000  1.0 1.0
   37    42    48    49   0.00000  1.0 1.0
   37    42   -48    55   0.00000  1.0 1.0
   37    43    50    56   1.63150  1.0 1.0
   37    43    50    56   2.92000 -1.0 2.0
   38    37    42    46   0.00000  1.0 1.0
   38    37    42    48   0.00000  1.0 1.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    50   0.00000  1.0 1.0
   42    37    43    44   0.00000  1.0 1.0
   42    37    43    50   0.40000  1.0 3.0
   42    46    53    54   0.00000  1.0 1.0
   42    46   -53    48   3.00000 -1.0 2.0
   42    46    53    62   1.39750  1.0 1.0
   42    46    53    62  -0.07950 -1.0 2.0
   42    46    53    62  -0.18750  1.0 3.0
   42    48   -55    33   0.01700  1.0 1.0
   42    48   -55    33  -0.23550 -1.0 2.0
   42    48   -55    33   0.21350  1.0 3.0
   46    42   -48    53   0.00000  1.0 1.0
   46    42    48    49   0.00000  1.0 1.0
   46    42    48    55   0.00000  1.0 1.0
   46    53   -48    42   3.00000 -1.0 2.0
   46    53   -48    49   0.15000  1.0 3.0
   46    53   -48    55   0.00000  1.0 1.0
   46    53    62    63  -0.11250  1.0 3.0
   46    53    62    65  -0.95700  1.0 1.0
   46    53    62    65  -0.18200 -1.0 2.0
   46    53    62    65   0.29450  1.0 3.0
   46    53    62    69  -0.09450  1.0 1.0
   46    53    62    69  -1.12950 -1.0 2.0
   46    53    62    69   0.54000  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    48  -0.11250  1.0 1.0
   47    46    53    48   0.11400 -1.0 2.0
   47    46    53    48  -0.28950  1.0 3.0
   47    46    53    62   0.30150 -1.0 2.0
   53    48    55    33   0.25150  1.0 1.0
   53    48    55    33  -1.17200 -1.0 2.0
   53    48    55    33   0.53050  1.0 3.0
   53    62    65    66   0.15000  1.0 3.0
   53    62    65    67   0.15000  1.0 3.0
   53    62    65    68   0.15000  1.0 3.0
   53    62    69    70  -0.11600  1.0 1.0
   53    62    69    70  -0.09450 -1.0 2.0
   53    62    69    70   0.21250  1.0 3.0
   54    53   -48    42   0.15000  1.0 3.0
   54    53    48    49   0.15000  1.0 3.0
   54    53    48    55   0.00000  1.0 1.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    65   0.15000  1.0 3.0
   54    53    62    69   0.23400  1.0 3.0
   48    42   -46    47   3.00000 -1.0 2.0
   48    42   -46    53   3.00000 -1.0 2.0
   48    53    62    63   0.00000  1.0 1.0
   48    53    62    65   0.04050  1.0 1.0
   48    53    62    65   0.63700 -1.0 2.0
   48    53    62    65   0.17650  1.0 3.0
   48    53    62    69   0.86500  1.0 1.0
   48    53    62    69  -0.17500 -1.0 2.0
   48    53    62    69   0.20800  1.0 3.0
   49    48    55    33   0.00000  1.0 1.0
   55    33    37    38   0.15000  1.0 3.0
   55    33   -37    42   0.71400  1.0 1.0
   55    33   -37    42   0.04300 -1.0 2.0
   55    33   -37    42   0.01450  1.0 3.0
   55    33    37    43  -2.17200  1.0 1.0
   55    33    37    43  -0.85700 -1.0 2.0
   55    33    39    40   0.15000  1.0 3.0
   55    33    39    41   0.15000  1.0 3.0
   55    33    39    45   0.56750  1.0 1.0
   55    33    39    45  -0.07550 -1.0 2.0
   55    33    39    45   0.20000  1.0 3.0
   62    53   -48    42   0.43900  1.0 1.0
   62    53   -48    42   0.49100 -1.0 2.0
   62    53   -48    42   0.28400  1.0 3.0
   62    53    48    49   0.15000  1.0 3.0
   62    53    48    55   0.44750  1.0 1.0
   62    53    48    55  -0.17800 -1.0 2.0
   62    53    48    55   0.20200  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    62    69    70   0.19450  1.0 3.0
   65    62    69    70  -0.11600  1.0 1.0
   65    62    69    70  -0.09450 -1.0 2.0
   65    62    69    70   0.21250  1.0 3.0
   69    62    65    66   0.23400  1.0 3.0
   69    62    65    67   0.23400  1.0 3.0
   69    62    65    68   0.23400  1.0 3.0
   43    37    42    46   0.00000  1.0 1.0
   43    37    42    48   0.00000  1.0 1.0
   43    50    56    57   0.08050  1.0 3.0
   43    50    56    58   0.08050  1.0 3.0
   43    50    56    64  -1.83450  1.0 1.0
   43    50    56    64  -0.02700 -1.0 2.0
   43    50    56    64  -0.20100  1.0 3.0
   44    43    50    56   3.00000 -1.0 2.0
   50    56    64    71  -1.83450  1.0 1.0
   50    56    64    71  -0.02700 -1.0 2.0
   50    56    64    71  -0.20100  1.0 3.0
   56    64    71    72   3.00000 -1.0 2.0
   56    64    71    73   1.63150  1.0 1.0
   56    64    71    73   2.92000 -1.0 2.0
   57    56    64    71   0.08050  1.0 3.0
   58    56    64    71   0.08050  1.0 3.0
   64    71    73    74   0.00000  1.0 1.0
   64    71    73    75   0.00000  1.0 1.0
   64    71    73    76   0.00000  1.0 1.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    73    76   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.42250  1.0 1.0
   39    33    37    42  -0.48100 -1.0 2.0
   39    33    37    42   0.35650  1.0 3.0
   39    33    37    43  -0.84850  1.0 1.0
   39    33    37    43  -0.22800 -1.0 2.0
   39    33    37    43   0.29250  1.0 3.0
   39    33    55    48  -0.25000 -1.0 2.0
   39    33    55    48  -0.01800  1.0 3.0
   39    45    51    52   3.00000 -1.0 2.0
   39    45    51    59  -0.80800  1.0 1.0
   39    45    51    59   2.06850 -1.0 2.0
   40    39    45    51   0.08050  1.0 3.0
   41    39    45    51   0.08050  1.0 3.0
   45    51    59    60   2.56700 -1.0 2.0
   45    51    59    61   2.56700 -1.0 2.0
   52    51    59    60   2.45000 -1.0 2.0
   52    51    59    61   2.45000 -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
   48    46    42    37   1.00000 -1.0 2.0
   42    53    46    47  10.50000 -1.0 2.0
   37    50    43    44  10.50000 -1.0 2.0
   64    73    71    72  10.50000 -1.0 2.0
   45    59    51    52  10.50000 -1.0 2.0
   61    51    59    60   1.00000 -1.0 2.0
END
