* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    148    243     445
    1     0 S   NP   _N1_     1    29.10994    95.31523   -19.39473
    2     1 S   H    _HN1     2     1.02770    81.89120   -65.26670
    3     1 S   H    _H1_     3     1.02968    93.23111    42.81854
    4     1 S   H    _H2_     4     1.02830    35.77323   157.79878
    5     1 S   CT   _CA1     5     1.50138   145.41510   176.81580
    6     5 S   HC   _HA1     6     1.09587   105.17035    47.21682
    7     5 S   CO3  _C1_     7     1.53715   112.53205   -72.68526
    8     7 S   O2Z  _O11     8     1.26325   115.00223   -40.38692
    9     7 S   O2Z  _O12     9     1.26259   114.91691   138.82304
   10     5 S   CT   _CB1    10     1.53106   107.37114   164.90181
   11    10 S   HC   HB11    11     1.09806   108.96011   -52.68102
   12    10 S   HC   HB12    12     1.09822   110.50160    63.73347
   13    10 S   CT   _CG1    13     1.52977   112.82089  -174.05736
   14    13 S   HC   HG11    14     1.09525   110.12320   -67.72309
   15    13 S   HC   HG12    15     1.09649   110.17396    51.38821
   16    13 S   C    _CD1    16     1.51804   112.49295   171.35514
   17    16 S   O    _OE1    17     1.22718   123.23711   -10.97790
   18    16 S   N    _N2_    18     1.38630   111.66988   170.31371
   19    18 S   H    _HN2    19     1.01590   118.98201    -0.55497
   20    18 S   CT1  _CA2    20     1.46220   123.39579   178.75920
   21    20 S   HC   _HA2    21     1.09736   109.29543   -16.56969
   22    20 S   C    _C2_    22     1.53451   107.96897  -132.08427
   23    22 S   O    _O2_    23     1.23000   122.32660  -144.89351
   24    20 S   CT   _CB2    32     1.53347   111.68914   105.79336
   25    24 S   HC   HB21    33     1.09548   109.99743    55.22503
   26    24 S   HC   HB22    34     1.09530   110.50179   173.17985
   27    22 S   N    _N3_    24     1.38533   113.28154    42.33291
   28    27 S   H    _HN3    25     1.01535   118.91170    -0.47354
   29    24 S   S    _SG2    35     1.82927   112.02771   -68.11600
   30    27 S   CT   _CA3    26     1.45454   123.48348   175.15766
   31    30 S   HC   HA31    27     1.09520   109.27763    23.47273
   32    30 S   HC   HA32    28     1.09496   107.10712   140.49251
   33    29 S   CT   _C18    36     1.82594    99.80332   137.13035
   34    33 S   HC   _H20    37     1.09393   107.53091    48.74987
   35    33 S   HC   _H21    38     1.09586   107.03866   163.46260
   36    30 S   CO3  _C3_    29     1.52930   113.10115  -100.02885
   37    36 S   O2Z  _O31    30     1.26404   115.40756   -44.01883
   38    36 S   O2Z  _O32    31     1.26354   114.97666   136.90699
   39    33 S   CT   _C16    39     1.53235   112.55250   -75.06261
   40    39 S   HC   _H7_    40     1.09217   111.91273    38.92085
   41    39 S   CO4  _C17    41     1.51066   112.20704   -82.32172
   42    41 S   O    _O36    42     1.22134   126.07321    44.63930
   43    41 S   OS   _O37    43     1.36539   110.18294  -136.97451
   44    43 S   CT   _C6_    44     1.44286   111.46993    -1.94118
   45    44 S   HC   _H3_    45     1.09748   105.38478   134.01152
   46    39 S   CT   _C7_    46     1.53351   112.10949   164.01278
   47    46 S   HC   _H4_    47     1.10229   106.26475    37.17110
   48    44 S   CT   _C5_    67     1.54499   110.66897  -108.12515
   49    46 S   CT   _C8_    48     1.54140   114.72891   -78.64777
   50    49 S   HC   _H11    49     1.09674   109.19842   166.29349
   51    49 S   HC   _H12    50     1.09736   107.71495    53.12676
   52    62 S   CT   _C11    68     1.51085   116.11394    39.10987
   53    48 S   CT   _C4_    71     1.54335   113.19892    44.20293
   54    53 S   HC   _H8_    72     1.08808   113.40165    64.67282
   55    53 S   HC   _H9_    73     1.09611   110.81638   -55.78483
   56    53 S   HC   _H10    74     1.09484   112.85098  -172.99064
   57    49 S   CT   _C9_    51     1.53315   117.95450   -67.94443
   58    57 S   HC   _H13    52     1.09193   110.67650    45.00782
   59    57 S   HC   _H14    53     1.09869   108.01650   158.73404
   60    52 S   OH   _O35    69     1.42947   110.95427   -85.11041
   61    60 S   HO   _H19    70     0.97265   108.73447   -53.06610
   62    57 S   CT   _C10    54     1.52940   113.77463   -82.50820
   63    62 S   HC   _H5_    55     1.10045   106.20967   -81.10369
   64    62 S   CT   _C15    56     1.52777   115.57899   160.22243
   65    64 S   HC   _H17    57     1.09377   113.45250   -25.16579
   66    64 S   HC   _H18    58     1.09484   111.36434    96.72252
   67    64 S   OS   _O34    59     1.44619   107.54263  -144.62312
   68    67 S   CT   _C12    60     1.43064   108.21577    -6.04452
   69    68 S   HC   _H6_    61     1.09657   107.68788   -94.93525
   70    68 S   CT   _C13    62     1.52511   114.31781   142.26472
   71    70 S   HC   _H15    63     1.09385   111.02952   142.49183
   72    70 S   HC   _H16    64     1.09228   112.63766    16.79877
   73    70 S   CO4  _C14    65     1.51875   103.24228  -102.14227
   74    73 S   O    _O33    66     1.22507   123.00042  -170.52912
  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  20
   9   5   4  22   9   3   2   1  10   4   3   9   2   9   5   6
   3   2   6   6   4   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    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    57    48  
   41    42    43    44    46    47    49  
   42    43    44    45    46    47    49    48  
   43    44    46  
   44    45    46    47    49    73    48    52    53  
   45    46    47    49    50    51    57    62    68    70    73    74    48    52    60    53    54    55    56  
   46    47    49    73    48    52    53  
   47    49    50    51    57    58    59    62    73    48    52    53  
   49    50    51    57    48  
   52    60    61    53    54    55    56    49    57    62    63    64    67    68    69    70    71    72    73    74  
   50    51    57    58    59    62    63    64    52  
   51    57    58    59    62  
   57    58    59    62  
   60    61    53    54    55    56    57    58    59    62    63    64    65    66    67    68    69    70    71    72    73    74  
   54    55    56    60    62    68    70    73    74  
   55    56    73  
   56    73  
   73  
   58    59    62    63    64    65    66    67    68    60  
   59    62    63    64  
   62    63    64  
   61    62    63    64    67    68    69    70    73  
   62    68  
   63    64    65    66    67    68    69    70    73  
   64    65    66    67    68  
   65    66    67    68    69    70  
   66    67    68  
   67    68  
   68    69    70    71    72    73  
   69    70    71    72    73    74  
   70    71    72    73  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   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    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    52   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   320.000  1.410
   67    68   320.000  1.410
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    52   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.522
   73    74   570.000  1.229
   73    48   317.000  1.522
   48    52   268.000  1.529
   48    53   268.000  1.529
   52    60   320.000  1.410
   60    61   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    73    63.00000  111.10000
   44    48    52    58.35000  112.70000
   44    48    53    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    57    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    62    58.35000  112.70000
   51    49    50    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    51    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    58.35000  112.70000
   57    62    52    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    50.00000  109.50000
   62    52    68    58.35000  112.70000
   62    52    48    58.35000  112.70000
   62    52    60    50.00000  109.50000
   64    62    63    37.50000  110.70000
   64    67    68    60.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   67    68    69    35.00000  109.50000
   67    68    70    50.00000  109.50000
   67    68    52    50.00000  109.50000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    63.00000  111.10000
   68    52    48    58.35000  112.70000
   68    52    60    50.00000  109.50000
   70    68    69    37.50000  110.70000
   70    73    74    80.00000  120.40000
   70    73    48    70.00000  116.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    48    52    63.00000  111.10000
   73    48    53    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    73    74    80.00000  120.40000
   48    52    60    50.00000  109.50000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   52    62    63    37.50000  110.70000
   52    62    64    58.35000  112.70000
   52    68    69    37.50000  110.70000
   52    68    70    58.35000  112.70000
   52    60    61    55.00000  108.50000
   53    48    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    57   0.56750  1.0 1.0
   39    46    49    57  -0.07550 -1.0 2.0
   39    46    49    57   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    73  -0.09450  1.0 1.0
   43    44    48    73  -1.12950 -1.0 2.0
   43    44    48    73   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
   43    44    48    53   0.62750  1.0 1.0
   43    44    48    53  -0.30950 -1.0 2.0
   43    44    48    53   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    57   0.56750  1.0 1.0
   44    46    49    57  -0.07550 -1.0 2.0
   44    46    49    57   0.20000  1.0 3.0
   44    48    52    62   0.56750  1.0 1.0
   44    48    52    62  -0.07550 -1.0 2.0
   44    48    52    62   0.20000  1.0 3.0
   44    48    52    68   0.56750  1.0 1.0
   44    48    52    68  -0.07550 -1.0 2.0
   44    48    52    68   0.20000  1.0 3.0
   44    48    52    60   0.86500  1.0 1.0
   44    48    52    60  -0.17500 -1.0 2.0
   44    48    52    60   0.20800  1.0 3.0
   44    48    53    54   0.15000  1.0 3.0
   44    48    53    55   0.15000  1.0 3.0
   44    48    53    56   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    73  -0.11250  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   45    44    48    53   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    73  -0.95700  1.0 1.0
   46    44    48    73  -0.18200 -1.0 2.0
   46    44    48    73   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    44    48    53   0.56750  1.0 1.0
   46    44    48    53  -0.07550 -1.0 2.0
   46    44    48    53   0.20000  1.0 3.0
   46    49    57    58   0.15000  1.0 3.0
   46    49    57    59   0.15000  1.0 3.0
   46    49    57    62   0.56750  1.0 1.0
   46    49    57    62  -0.07550 -1.0 2.0
   46    49    57    62   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    57   0.15000  1.0 3.0
   49    57    62    63   0.15000  1.0 3.0
   49    57    62    64   0.56750  1.0 1.0
   49    57    62    64  -0.07550 -1.0 2.0
   49    57    62    64   0.20000  1.0 3.0
   49    57    62    52   0.56750  1.0 1.0
   49    57    62    52  -0.07550 -1.0 2.0
   49    57    62    52   0.20000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    62   0.15000  1.0 3.0
   51    49    57    58   0.15000  1.0 3.0
   51    49    57    59   0.15000  1.0 3.0
   51    49    57    62   0.15000  1.0 3.0
   57    62    64    65   0.15000  1.0 3.0
   57    62    64    66   0.15000  1.0 3.0
   57    62    64    67   0.62750  1.0 1.0
   57    62    64    67  -0.30950 -1.0 2.0
   57    62    64    67   0.27300  1.0 3.0
   57    62    52    68   0.56750  1.0 1.0
   57    62    52    68  -0.07550 -1.0 2.0
   57    62    52    68   0.20000  1.0 3.0
   57    62    52    48   0.56750  1.0 1.0
   57    62    52    48  -0.07550 -1.0 2.0
   57    62    52    48   0.20000  1.0 3.0
   57    62    52    60   0.86500  1.0 1.0
   57    62    52    60  -0.17500 -1.0 2.0
   57    62    52    60   0.20800  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    52   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    52   0.15000  1.0 3.0
   62    64   -67    68   0.06250  1.0 1.0
   62    64   -67    68  -0.01100 -1.0 2.0
   62    64   -67    68   0.28050  1.0 3.0
   62    52    60    61  -0.11600  1.0 1.0
   62    52    60    61  -0.09450 -1.0 2.0
   62    52    60    61   0.21250  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    67   0.23400  1.0 3.0
   63    62    52    68   0.15000  1.0 3.0
   63    62    52    48   0.15000  1.0 3.0
   63    62    52    60   0.23400  1.0 3.0
   64    62   -52    68   0.56750  1.0 1.0
   64    62   -52    68  -0.07550 -1.0 2.0
   64    62   -52    68   0.20000  1.0 3.0
   64    62    52    48   0.56750  1.0 1.0
   64    62    52    48  -0.07550 -1.0 2.0
   64    62    52    48   0.20000  1.0 3.0
   64    62    52    60   0.86500  1.0 1.0
   64    62    52    60  -0.17500 -1.0 2.0
   64    62    52    60   0.20800  1.0 3.0
   64    67    68    69   0.37050  1.0 3.0
   64    67    68    70   0.06250  1.0 1.0
   64    67    68    70  -0.01100 -1.0 2.0
   64    67    68    70   0.28050  1.0 3.0
   64    67   -68    52   0.06250  1.0 1.0
   64    67   -68    52  -0.01100 -1.0 2.0
   64    67   -68    52   0.28050  1.0 3.0
   65    64    67    68   0.37050  1.0 3.0
   66    64    67    68   0.37050  1.0 3.0
   67    68    70    71   0.23400  1.0 3.0
   67    68    70    72   0.23400  1.0 3.0
   67    68    70    73  -0.09450  1.0 1.0
   67    68    70    73  -1.12950 -1.0 2.0
   67    68    70    73   0.54000  1.0 3.0
   67    68   -52    62   0.62750  1.0 1.0
   67    68   -52    62  -0.30950 -1.0 2.0
   67    68   -52    62   0.27300  1.0 3.0
   67    68    52    48   0.62750  1.0 1.0
   67    68    52    48  -0.30950 -1.0 2.0
   67    68    52    48   0.27300  1.0 3.0
   67    68    52    60   3.69350  1.0 1.0
   67    68    52    60  -1.82950 -1.0 2.0
   68    70    73    74   0.30150 -1.0 2.0
   68    70   -73    48   0.60050  1.0 1.0
   68    70   -73    48   0.05600 -1.0 2.0
   68    70   -73    48   0.26150  1.0 3.0
   68    52    60    61  -0.11600  1.0 1.0
   68    52    60    61  -0.09450 -1.0 2.0
   68    52    60    61   0.21250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73  -0.11250  1.0 3.0
   69    68    52    62   0.15000  1.0 3.0
   69    68    52    48   0.15000  1.0 3.0
   69    68    52    60   0.23400  1.0 3.0
   70    68    52    62   0.56750  1.0 1.0
   70    68    52    62  -0.07550 -1.0 2.0
   70    68    52    62   0.20000  1.0 3.0
   70    68   -52    48   0.56750  1.0 1.0
   70    68   -52    48  -0.07550 -1.0 2.0
   70    68   -52    48   0.20000  1.0 3.0
   70    68    52    60   0.86500  1.0 1.0
   70    68    52    60  -0.17500 -1.0 2.0
   70    68    52    60   0.20800  1.0 3.0
   70    73    48    44   0.60050  1.0 1.0
   70    73    48    44   0.05600 -1.0 2.0
   70    73    48    44   0.26150  1.0 3.0
   70    73   -48    52   0.60050  1.0 1.0
   70    73   -48    52   0.05600 -1.0 2.0
   70    73   -48    52   0.26150  1.0 3.0
   70    73    48    53   0.60050  1.0 1.0
   70    73    48    53   0.05600 -1.0 2.0
   70    73    48    53   0.26150  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    48   0.00000  1.0 1.0
   72    70    73    74   0.00000  1.0 1.0
   72    70    73    48   0.00000  1.0 1.0
   73    48    52    62  -0.95700  1.0 1.0
   73    48    52    62  -0.18200 -1.0 2.0
   73    48    52    62   0.29450  1.0 3.0
   73    48   -52    68  -0.95700  1.0 1.0
   73    48   -52    68  -0.18200 -1.0 2.0
   73    48   -52    68   0.29450  1.0 3.0
   73    48    52    60  -0.09450  1.0 1.0
   73    48    52    60  -1.12950 -1.0 2.0
   73    48    52    60   0.54000  1.0 3.0
   73    48    53    54  -0.11250  1.0 3.0
   73    48    53    55  -0.11250  1.0 3.0
   73    48    53    56  -0.11250  1.0 3.0
   74    73    48    44   0.30150 -1.0 2.0
   74    73    48    52   0.30150 -1.0 2.0
   74    73    48    53   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    52    60    61  -0.11600  1.0 1.0
   48    52    60    61  -0.09450 -1.0 2.0
   48    52    60    61   0.21250  1.0 3.0
   52    62    64    65   0.15000  1.0 3.0
   52    62    64    66   0.15000  1.0 3.0
   52    62   -64    67   0.62750  1.0 1.0
   52    62   -64    67  -0.30950 -1.0 2.0
   52    62   -64    67   0.27300  1.0 3.0
   52    68    70    71   0.15000  1.0 3.0
   52    68    70    72   0.15000  1.0 3.0
   52    68   -70    73  -0.95700  1.0 1.0
   52    68   -70    73  -0.18200 -1.0 2.0
   52    68   -70    73   0.29450  1.0 3.0
   52    48    53    54   0.15000  1.0 3.0
   52    48    53    55   0.15000  1.0 3.0
   52    48    53    56   0.15000  1.0 3.0
   53    48    52    62   0.56750  1.0 1.0
   53    48    52    62  -0.07550 -1.0 2.0
   53    48    52    62   0.20000  1.0 3.0
   53    48    52    68   0.56750  1.0 1.0
   53    48    52    68  -0.07550 -1.0 2.0
   53    48    52    68   0.20000  1.0 3.0
   53    48    52    60   0.86500  1.0 1.0
   53    48    52    60  -0.17500 -1.0 2.0
   53    48    52    60   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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   70    48    73    74  10.50000 -1.0 2.0
END
