* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    137    214     410
    1     0 S   NP   _N1_     1    28.94094    94.03455   -22.84468
    2     1 S   H    _HN1     2     1.02776   101.19339   -68.66154
    3     1 S   H    _H1_     3     1.02959    82.93512    38.71287
    4     1 S   H    _H2_     4     1.02836    29.15524  -175.37818
    5     1 S   CT   _CA1     5     1.50114   136.49774   151.03768
    6     5 S   HC   _HA1     6     1.09575   105.23416    75.99230
    7     5 S   CO3  _C1_     7     1.53778   112.37814   -44.22156
    8     7 S   O2Z  _O11     8     1.26359   115.00112   -44.21494
    9     7 S   O2Z  _O12     9     1.26238   114.91959   134.96342
   10     5 S   CT   _CB1    10     1.53100   107.44258  -166.09697
   11    10 S   HC   HB11    11     1.09828   109.33102   -50.91189
   12    10 S   HC   HB12    12     1.09819   110.42302    65.63368
   13    10 S   CT   _CG1    13     1.53024   112.67170  -172.01239
   14    13 S   HC   HG11    14     1.09593   110.46023   -64.05712
   15    13 S   HC   HG12    15     1.09654   109.96141    55.17047
   16    13 S   C    _CD1    16     1.51819   112.30559   175.53770
   17    16 S   O    _OE1    17     1.22730   123.16323    -0.64468
   18    16 S   N    _N2_    18     1.38658   111.62271   179.44327
   19    18 S   H    _HN2    19     1.01597   118.98548    -0.53778
   20    18 S   CT1  _CA2    20     1.46119   123.38051   179.86152
   21    20 S   HC   _HA2    21     1.09492   108.57223   -20.22894
   22    20 S   C    _C2_    22     1.53388   108.53473  -134.52285
   23    22 S   O    _O2_    23     1.22979   122.39031  -143.75134
   24    20 S   CT   _CB2    32     1.53556   111.68261   102.56134
   25    24 S   HC   HB21    33     1.09642   109.64252    50.35724
   26    24 S   HC   HB22    34     1.09429   111.54700   167.93504
   27    22 S   N    _N3_    24     1.38599   113.09967    44.11162
   28    27 S   H    _HN3    25     1.01555   118.88519    -3.15349
   29    24 S   S    _SG2    35     1.83182   113.86050   -69.41069
   30    27 S   CT   _CA3    26     1.45429   123.46202   173.24831
   31    30 S   HC   HA31    27     1.09503   109.97852    17.33961
   32    30 S   HC   HA32    28     1.09518   107.14351   134.33032
   33    29 S   CT   _C10    36     1.84130    99.91587   -73.58528
   34    33 S   HC   _H3_    37     1.09355   106.85724    37.84879
   35    30 S   CO3  _C3_    29     1.52775   111.83578  -105.73074
   36    35 S   O2Z  _O31    30     1.26408   114.90814   -77.20006
   37    35 S   O2Z  _O32    31     1.26345   115.44845   102.52372
   38    33 S   CA   _C9_    38     1.51835   111.20824   -80.30567
   39    33 S   CT   _C11    50     1.53829   109.26939   153.65955
   40    39 S   HC   _H13    51     1.09601   112.46095    71.22377
   41    39 S   HC   _H14    52     1.09786   111.51347   -48.55958
   42    38 S   CA   _C4_    39     1.40521   119.49052   111.06368
   43    42 S   HA   _H9_    40     1.08796   120.39318     0.16551
   44    39 S   CO4  _C12    53     1.51285   111.01913  -167.38299
   45    44 S   O    _O33    54     1.22278   124.22094  -117.62654
   46    42 S   CA   _C5_    41     1.39549   120.84775   179.92338
   47    46 S   HA   _H10    42     1.08614   119.81971  -179.80617
   48    44 S   OS   _O34    55     1.36000   109.21950    62.74160
   49    46 S   CA   _C6_    43     1.39033   119.59281     0.14804
   50    48 S   CT   _C13    56     1.44784   119.44180  -174.52010
   51    50 S   HC   _H4_    57     1.09616   109.18322   -30.81158
   52    49 S   CA   _C7_    44     1.39186   120.69740     0.11191
   53    52 S   HA   _H11    45     1.08599   120.98710   179.80923
   54    49 S   OH   _O40    48     1.36614   118.22390  -179.96044
   55    54 S   HO   _H21    49     0.97234   108.53882   179.85735
   56    50 S   CT   _C14    58     1.53296   108.00233  -150.93722
   57    56 S   HC   _H5_    59     1.09739   108.37141   175.92009
   58    38 S   CA   _C8_    46     1.40460   122.01678   -68.60666
   59    58 S   HA   _H12    47     1.08716   120.58526     0.33455
   60    56 S   CT   _C15    60     1.53532   111.80526   -64.05910
   61    60 S   HC   _H6_    61     1.09585   109.85264  -173.24216
   62    56 S   OH   _O39    76     1.42468   110.00848    59.03069
   63    62 S   HO   _H20    77     0.97268   107.57632   176.55099
   64    60 S   CT   _C16    62     1.53831   110.38951   -51.30646
   65    64 S   HC   _H7_    63     1.09762   110.20540   -66.60207
   66    60 S   OH   _O38    74     1.42810   110.66593    69.74738
   67    66 S   HO   _H19    75     0.97316   107.91609    40.83008
   68    64 S   OS   _O35    64     1.43940   110.65588    52.19995
   69    64 S   CT   _C18    69     1.52902   111.51984   171.69915
   70    69 S   HC   _H16    70     1.09425   110.83927    49.67968
   71    69 S   HC   _H17    71     1.09485   111.22215   -72.64267
   72    50 S   CO   _C17    65     1.53570   109.21995    91.78813
   73    72 S   HC   _H8_    66     1.09719   110.12430   178.97894
   74    69 S   OH   _O37    72     1.42470   109.62685   168.61569
   75    74 S   HO   _H18    73     0.97624   106.25194   177.89950
   76    72 S   OH   _O36    67     1.42144   109.62724   -63.15258
   77    76 S   HO   _H15    68     0.97177   106.82124  -161.94150
  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   9   5   4   3
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3  10
   6  14   8   5   3   2   1  14   7   1   1  13   7   4   1  12
   7   3   1   8   5   3   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    58    59    39    40    41    44    45    48  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    53    58    59    39    40    41    44  
   40    41    44    45    48    50    42    58  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    58    59    54  
   46    47    49    58  
   45    48    50    51    56    72  
   48    50  
   47    49    52    53    58    54    55  
   49    52    54  
   50    51    56    57    60    68    72    73    76    62  
   52    53    58    59    54    55  
   51    56    57    60    61    64    68    72    73    76    77    66    62    63  
   56    57    60    68    72    73    76    62  
   53    58    59    54    55  
   58    59    54  
   55    58  
    0  
   57    60    61    64    65    68    72    73    76    69    66    67    62    63  
   60    61    64    72    66    62    63  
   59  
    0  
   61    64    65    68    72    69    70    71    74    66    67    62    63  
   64    65    68    69    66    67    62  
   63    64    66    72  
    0  
   65    68    72    73    76    69    70    71    74    75    66    67  
   68    72    69    70    71    74    66  
   67    68    69  
    0  
   72    73    76    77    69    70    71    74  
   70    71    74    75    72  
   71    74    75  
   74    75  
   73    76    77  
   76    77  
   75  
    0  
   77  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    58   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    54   450.000  1.364
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    59   367.000  1.080
   54    55   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    72   250.000  1.527
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    62   320.000  1.410
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    66   320.000  1.410
   64    65   340.000  1.090
   64    68   320.000  1.410
   64    69   268.000  1.529
   68    72   320.000  1.380
   72    73   340.000  1.090
   72    76   380.000  1.407
   76    77   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   320.000  1.410
   74    75   553.000  0.945
   66    67   553.000  0.945
   62    63   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    58    52    63.00000  120.00000
   38    58    59    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    54    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    58    63.00000  120.00000
   49    54    55    35.00000  113.00000
   52    58    59    35.00000  120.00000
   58    38    42    63.00000  120.00000
   58    52    53    35.00000  120.00000
   54    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    56    50.00000  109.50000
   48    50    72    90.00000  109.38000
   50    56    57    37.50000  110.70000
   50    56    60    58.35000  112.70000
   50    56    62    50.00000  109.50000
   50    72    68    90.00000  108.56700
   50    72    73    45.00000  112.01100
   50    72    76    90.00000  110.19100
   56    50    51    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    64    58.35000  112.70000
   56    60    66    50.00000  109.50000
   56    62    63    55.00000  108.50000
   60    56    57    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    68    50.00000  109.50000
   60    64    69    58.35000  112.70000
   60    66    67    55.00000  108.50000
   64    60    61    37.50000  110.70000
   64    68    72    60.00000  109.50000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    74    50.00000  109.50000
   68    64    65    35.00000  109.50000
   68    72    73    35.00000  109.50000
   68    72    76   110.00000  112.08000
   72    50    51    45.00000  108.72000
   72    50    56    75.00000  109.43000
   72    76    77    70.00000  107.92000
   76    72    73    60.00000  108.02500
   69    64    65    37.50000  110.70000
   69    64    68    50.00000  109.50000
   69    74    75    55.00000  108.50000
   71    69    70    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    35.00000  109.50000
   66    60    61    35.00000  109.50000
   66    60    64    50.00000  109.50000
   62    56    57    35.00000  109.50000
   62    56    60    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    58    52   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    58    52   3.62500 -1.0 2.0
   42    38    58    59   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    54   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    53   3.62500 -1.0 2.0
   46    49    52    58   3.62500 -1.0 2.0
   46    49    54    55   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    54   3.62500 -1.0 2.0
   49    52   -58    38   3.62500 -1.0 2.0
   49    52    58    59   3.62500 -1.0 2.0
   52    49    54    55   0.84100 -1.0 2.0
   53    52    58    38   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   58    38    42    43   3.62500 -1.0 2.0
   58    38   -42    46   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    58   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    58   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    56  -0.25900  1.0 1.0
   44    48    50    56  -0.47000 -1.0 2.0
   44    48    50    56   0.11750  1.0 3.0
   44    48    50    72  -0.25900  1.0 1.0
   44    48    50    72  -0.47000 -1.0 2.0
   44    48    50    72   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    56    57   0.23400  1.0 3.0
   48    50    56    60   0.62750  1.0 1.0
   48    50    56    60  -0.30950 -1.0 2.0
   48    50    56    60   0.27300  1.0 3.0
   48    50    56    62   3.69350  1.0 1.0
   48    50    56    62  -1.82950 -1.0 2.0
   48    50    72    68   1.11900  1.0 1.0
   48    50    72    68  -1.16350 -1.0 2.0
   48    50    72    68  -0.34150  1.0 3.0
   48    50    72    73   0.23400  1.0 3.0
   48    50    72    76   3.69350  1.0 1.0
   48    50    72    76  -1.82950 -1.0 2.0
   50    56    60    61   0.15000  1.0 3.0
   50    56    60    64   0.56750  1.0 1.0
   50    56    60    64  -0.07550 -1.0 2.0
   50    56    60    64   0.20000  1.0 3.0
   50    56    60    66   0.86500  1.0 1.0
   50    56    60    66  -0.17500 -1.0 2.0
   50    56    60    66   0.20800  1.0 3.0
   50    56    62    63  -0.11600  1.0 1.0
   50    56    62    63  -0.09450 -1.0 2.0
   50    56    62    63   0.21250  1.0 3.0
   50    72    76    77  -0.11600  1.0 1.0
   50    72    76    77  -0.09450 -1.0 2.0
   50    72    76    77   0.21250  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    60   0.15000  1.0 3.0
   51    50    56    62   0.23400  1.0 3.0
   51    50    72    68   0.23400  1.0 3.0
   51    50    72    73   0.15000  1.0 3.0
   51    50    72    76   0.23400  1.0 3.0
   56    50    72    68   0.62750  1.0 1.0
   56    50    72    68  -0.30950 -1.0 2.0
   56    50    72    68   0.27300  1.0 3.0
   56    50    72    73   0.15000  1.0 3.0
   56    50    72    76   0.86500  1.0 1.0
   56    50    72    76  -0.17500 -1.0 2.0
   56    50    72    76   0.20800  1.0 3.0
   56    60    64    65   0.15000  1.0 3.0
   56    60   -64    68   0.62750  1.0 1.0
   56    60   -64    68  -0.30950 -1.0 2.0
   56    60   -64    68   0.27300  1.0 3.0
   56    60    64    69   0.56750  1.0 1.0
   56    60    64    69  -0.07550 -1.0 2.0
   56    60    64    69   0.20000  1.0 3.0
   56    60    66    67  -0.11600  1.0 1.0
   56    60    66    67  -0.09450 -1.0 2.0
   56    60    66    67   0.21250  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    64   0.15000  1.0 3.0
   57    56    60    66   0.23400  1.0 3.0
   57    56    62    63   0.19450  1.0 3.0
   60    56    62    63  -0.11600  1.0 1.0
   60    56    62    63  -0.09450 -1.0 2.0
   60    56    62    63   0.21250  1.0 3.0
   60    64    68    72   0.06250  1.0 1.0
   60    64    68    72  -0.01100 -1.0 2.0
   60    64    68    72   0.28050  1.0 3.0
   60    64    69    70   0.15000  1.0 3.0
   60    64    69    71   0.15000  1.0 3.0
   60    64    69    74   0.86500  1.0 1.0
   60    64    69    74  -0.17500 -1.0 2.0
   60    64    69    74   0.20800  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    68   0.23400  1.0 3.0
   61    60    64    69   0.15000  1.0 3.0
   61    60    66    67   0.19450  1.0 3.0
   64    60    66    67  -0.11600  1.0 1.0
   64    60    66    67  -0.09450 -1.0 2.0
   64    60    66    67   0.21250  1.0 3.0
   64    68   -72    50   0.06250  1.0 1.0
   64    68   -72    50  -0.01100 -1.0 2.0
   64    68   -72    50   0.28050  1.0 3.0
   64    68    72    73   0.37050  1.0 3.0
   64    68    72    76  -0.81800  1.0 1.0
   64    69    74    75  -0.11600  1.0 1.0
   64    69    74    75  -0.09450 -1.0 2.0
   64    69    74    75   0.21250  1.0 3.0
   65    64    68    72   0.37050  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    74   0.23400  1.0 3.0
   68    64    69    70   0.23400  1.0 3.0
   68    64    69    71   0.23400  1.0 3.0
   68    64    69    74   3.69350  1.0 1.0
   68    64    69    74  -1.82950 -1.0 2.0
   68    72    76    77  -0.50000  1.0 1.0
   68    72    76    77  -0.73950 -1.0 2.0
   68    72    76    77   0.17150  1.0 3.0
   72    50    56    57   0.15000  1.0 3.0
   72    50   -56    60   3.97050  1.0 1.0
   72    50    56    62   0.86500  1.0 1.0
   72    50    56    62  -0.17500 -1.0 2.0
   72    50    56    62   0.20800  1.0 3.0
   73    72    76    77   0.19450  1.0 3.0
   69    64    68    72   0.06250  1.0 1.0
   69    64    68    72  -0.01100 -1.0 2.0
   69    64    68    72   0.28050  1.0 3.0
   70    69    74    75   0.19450  1.0 3.0
   71    69    74    75   0.19450  1.0 3.0
   66    60    64    65   0.23400  1.0 3.0
   66    60    64    68   3.69350  1.0 1.0
   66    60    64    68  -1.82950 -1.0 2.0
   66    60    64    69   0.86500  1.0 1.0
   66    60    64    69  -0.17500 -1.0 2.0
   66    60    64    69   0.20800  1.0 3.0
   62    56    60    61   0.23400  1.0 3.0
   62    56    60    64   0.86500  1.0 1.0
   62    56    60    64  -0.17500 -1.0 2.0
   62    56    60    64   0.20800  1.0 3.0
   62    56    60    66   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    58    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    54    49    46   4.00000 -1.0 2.0
   58    53    52    49   1.10000 -1.0 2.0
   52    59    58    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
END
