* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    137    214     410
    1     0 S   NP   _N1_     1    29.02850    98.09863   -20.30127
    2     1 S   H    _HN1     2     1.02814    89.26794  -104.00565
    3     1 S   H    _H1_     3     1.02901    65.95819     6.19736
    4     1 S   H    _H2_     4     1.02893    53.78828   143.34152
    5     1 S   CT   _CA1     5     1.50175   157.77642    93.20285
    6     5 S   HC   _HA1     6     1.09665   104.98848   102.75784
    7     5 S   CO3  _C1_     7     1.54185   111.17126   -15.03843
    8     7 S   O2Z  _O11     8     1.26122   115.96131   -89.72944
    9     7 S   O2Z  _O12     9     1.26440   114.52681    88.97163
   10     5 S   CT   _CB1    10     1.53255   107.19961  -140.91987
   11    10 S   HC   HB11    11     1.09827   109.76002   -49.92028
   12    10 S   HC   HB12    12     1.09774   110.50994    66.75452
   13    10 S   CT   _CG1    13     1.52936   112.01357  -170.57054
   14    13 S   HC   HG11    14     1.09489   110.42971   -59.52072
   15    13 S   HC   HG12    15     1.09660   109.76549    59.39139
   16    13 S   C    _CD1    16     1.51797   112.65109  -179.51463
   17    16 S   O    _OE1    17     1.22702   123.33711     7.24427
   18    16 S   N    _N2_    18     1.38685   111.58792  -173.42884
   19    18 S   H    _HN2    19     1.01526   119.08208     4.55569
   20    18 S   CT1  _CA2    20     1.46341   123.65766  -178.95770
   21    20 S   HC   _HA2    21     1.09718   109.37365     5.33730
   22    20 S   C    _C2_    22     1.53517   108.97898  -110.58754
   23    22 S   O    _O2_    23     1.23068   122.17971  -149.32051
   24    20 S   CT   _CB2    32     1.53418   110.95595   127.26118
   25    24 S   HC   HB21    33     1.09575   109.42266    56.95920
   26    24 S   HC   HB22    34     1.09495   110.87850   175.79593
   27    22 S   N    _N3_    24     1.38281   113.82810    38.03797
   28    27 S   H    _HN3    25     1.01568   119.60083    -2.93738
   29    24 S   S    _SG2    35     1.82892   111.15632   -64.40191
   30    27 S   CT   _CA3    26     1.45289   123.25429   177.35662
   31    30 S   HC   HA31    27     1.09547   107.46100   -66.15817
   32    30 S   HC   HA32    28     1.09556   108.05994    50.31062
   33    29 S   CT   _C10    36     1.84305    99.80163   151.46362
   34    33 S   HC   _H3_    37     1.09651   106.39035   -44.28671
   35    30 S   CO3  _C3_    29     1.52968   114.04078   172.34447
   36    35 S   O2Z  _O31    30     1.26382   116.05973    -0.77607
   37    35 S   O2Z  _O32    31     1.26428   114.41581   179.28591
   38    33 S   CA   _C9_    38     1.51705   111.33864    74.31097
   39    33 S   CT   _C11    50     1.53957   110.28926  -160.55037
   40    39 S   HC   _H13    51     1.09724   111.58712   -59.48522
   41    39 S   HC   _H14    52     1.09755   110.77388  -177.54992
   42    38 S   CA   _C4_    39     1.40473   119.60339  -112.10910
   43    42 S   HA   _H9_    40     1.08757   120.43780    -0.14265
   44    39 S   CO4  _C12    53     1.51226   112.74022    62.05275
   45    44 S   O    _O33    54     1.22401   123.60031  -120.07179
   46    42 S   CA   _C5_    41     1.39589   120.78515   179.77619
   47    46 S   HA   _H10    42     1.08626   119.85318  -179.97202
   48    44 S   OS1  _O34    55     1.36188   110.26344    59.48529
   49    46 S   CA   _C6_    43     1.39063   119.63961    -0.03426
   50    48 S   CO1  _C13    56     1.44183   116.11085  -172.49648
   51    50 S   HC   _H4_    57     1.09853   108.31015    44.66903
   52    49 S   CA   _C7_    44     1.39169   120.69608    -0.02798
   53    52 S   HA   _H11    45     1.08602   120.99647  -179.84677
   54    49 S   OH   _O40    48     1.36605   118.21170  -179.98022
   55    54 S   HO   _H21    49     0.97239   108.58176   179.85735
   56    50 S   CT   _C14    58     1.53109   107.33717   163.61479
   57    56 S   HC   _H5_    59     1.09668   110.04285    55.29928
   58    38 S   CA   _C8_    46     1.40520   121.87609    67.54917
   59    58 S   HA   _H12    47     1.08735   120.54864    -0.15451
   60    56 S   CT   _C15    60     1.53027   110.68558   177.19425
   61    60 S   HC   _H6_    61     1.09532   110.01597    74.22148
   62    56 S   OH5  _O39    76     1.42964   109.91996   -61.48270
   63    62 S   HO   _H20    77     0.97123   107.89636   -71.44312
   64    60 S   CT   _C16    62     1.53243   111.71313   -48.66256
   65    64 S   HC   _H7_    63     1.09704   108.90435   -74.23139
   66    60 S   OH5  _O38    74     1.42995   109.46422  -170.39285
   67    66 S   HO   _H19    75     0.97231   108.12407    62.75859
   68    64 S   CT   _C17    64     1.53426   111.56964    47.18815
   69    68 S   HC   _H8_    65     1.09663   111.03313    67.03840
   70    64 S   OH5  _O37    72     1.42709   109.42498   169.21845
   71    70 S   HO   _H18    73     0.97649   108.02996   -58.89184
   72    50 S   OS1  _O35    66     1.42747   111.02465   -76.73975
   73    68 S   CT   _C18    67     1.53022   111.23631  -172.55856
   74    73 S   HC   _H15    68     1.09501   110.96201    69.13833
   75    73 S   HC   _H16    69     1.09409   111.45403   -53.12424
   76    73 S   OH5  _O36    70     1.42467   109.23994  -172.18576
   77    76 S   HO   _H17    71     0.97217   107.04836  -179.43698
  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   8
   6  13   6   5   3   2   1  12   7   1   1  13   7   4   1  12
   7   3   1   9   6   3   1   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    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    62  
   52    53    58    59    54    55  
   51    56    57    60    61    64    68    69    72    73    66    62    63  
   56    57    60    68    72    62  
   53    58    59    54    55  
   58    59    54  
   55    58  
    0  
   57    60    61    64    65    68    72    70    66    67    62    63  
   60    61    64    72    66    62    63  
   59  
    0  
   61    64    65    68    69    72    73    70    71    66    67    62    63  
   64    65    68    70    66    67    62  
   63    64    66    72  
    0  
   65    68    69    72    73    74    75    76    70    71    66    67  
   68    69    72    73    70    71    66  
   67    68    70  
    0  
   69    72    73    74    75    76    77    70    71  
   72    73    74    75    76    70  
   71    72    73  
    0  
   73    74    75    76  
   74    75    76    77  
   75    76    77  
   76    77  
   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   2.9000   0.1400  -0.280000   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   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.100000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   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   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   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   370.000  1.399
   50    51   360.000  1.097
   50    56   255.000  1.525
   50    72   370.000  1.399
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    62   355.000  1.421
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    66   355.000  1.421
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    70   355.000  1.421
   68    69   340.000  1.090
   68    72   335.000  1.422
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   355.000  1.421
   76    77   580.000  0.967
   70    71   580.000  0.967
   66    67   580.000  0.967
   62    63   580.000  0.967
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    60.00000  105.75400
   48    50    56    90.00000  109.70700
   48    50    72   110.00000  113.16000
   50    56    57    45.00000  109.54000
   50    56    60    70.00000  111.10000
   50    56    62    90.00000  109.42000
   50    72    68    90.00000  112.10700
   56    50    51    45.00000  111.65000
   56    60    61    37.50000  110.70000
   56    60    64    58.35000  112.70000
   56    60    66    90.00000  111.45300
   56    62    63    65.00000  108.53500
   60    56    57    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    68    58.35000  112.70000
   60    64    70    90.00000  111.45300
   60    66    67    65.00000  108.53500
   64    60    61    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    95.00000  107.88500
   64    68    73    58.35000  112.70000
   64    70    71    65.00000  108.53500
   68    64    65    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    90.00000  111.45300
   72    50    51    60.00000  105.75400
   72    50    56    90.00000  109.70700
   72    68    69    55.00000  108.98800
   73    68    69    37.50000  110.70000
   73    68    72    95.00000  107.88500
   73    76    77    65.00000  108.53500
   75    73    74    33.00000  107.80000
   76    73    74    60.00000  109.39000
   76    73    75    60.00000  109.39000
   70    64    65    60.00000  109.39000
   70    64    68    90.00000  111.45300
   66    60    61    60.00000  109.39000
   66    60    64    90.00000  111.45300
   62    56    57    60.00000  109.39000
   62    56    60    90.00000  111.45300
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  -0.24150  1.0 1.0
   44    48    50    72  -0.46200 -1.0 2.0
   44    48    50    72   0.11700  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   1.51850  1.0 1.0
   48    50    72    68  -0.70400  1.0 1.0
   48    50    72    68  -0.90350 -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  -0.47750  1.0 1.0
   50    56    62    63   0.29150  1.0 1.0
   50    56    62    63  -0.28350 -1.0 2.0
   50    56    62    63   0.43600  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   0.37050  1.0 3.0
   56    50    72    68   0.06250  1.0 1.0
   56    50    72    68  -0.01100 -1.0 2.0
   56    50    72    68   0.28050  1.0 3.0
   56    60    64    65   0.15000  1.0 3.0
   56    60   -64    68   0.56750  1.0 1.0
   56    60   -64    68  -0.07550 -1.0 2.0
   56    60   -64    68   0.20000  1.0 3.0
   56    60    64    70  -0.47750  1.0 1.0
   56    60    66    67   0.29150  1.0 1.0
   56    60    66    67  -0.28350 -1.0 2.0
   56    60    66    67   0.43600  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   0.29150  1.0 1.0
   60    56    62    63  -0.28350 -1.0 2.0
   60    56    62    63   0.43600  1.0 3.0
   60    64    68    69   0.15000  1.0 3.0
   60    64    68    72   0.62750  1.0 1.0
   60    64    68    72  -0.30950 -1.0 2.0
   60    64    68    72   0.27300  1.0 3.0
   60    64    68    73   0.56750  1.0 1.0
   60    64    68    73  -0.07550 -1.0 2.0
   60    64    68    73   0.20000  1.0 3.0
   60    64    70    71   0.29150  1.0 1.0
   60    64    70    71  -0.28350 -1.0 2.0
   60    64    70    71   0.43600  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    68   0.15000  1.0 3.0
   61    60    64    70   0.23400  1.0 3.0
   61    60    66    67   0.19450  1.0 3.0
   64    60    66    67   0.29150  1.0 1.0
   64    60    66    67  -0.28350 -1.0 2.0
   64    60    66    67   0.43600  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    73    74   0.15000  1.0 3.0
   64    68    73    75   0.15000  1.0 3.0
   64    68    73    76  -0.47750  1.0 1.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    72   0.23400  1.0 3.0
   65    64    68    73   0.15000  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   68    64    70    71   0.29150  1.0 1.0
   68    64    70    71  -0.28350 -1.0 2.0
   68    64    70    71   0.43600  1.0 3.0
   68    73    76    77   0.29150  1.0 1.0
   68    73    76    77  -0.28350 -1.0 2.0
   68    73    76    77   0.43600  1.0 3.0
   69    68    72    50   0.37050  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.23400  1.0 3.0
   72    50    56    57   0.23400  1.0 3.0
   72    50   -56    60   0.62750  1.0 1.0
   72    50   -56    60  -0.30950 -1.0 2.0
   72    50   -56    60   0.27300  1.0 3.0
   72    50    56    62   1.51850  1.0 1.0
   72    68    73    74   0.23400  1.0 3.0
   72    68    73    75   0.23400  1.0 3.0
   72    68    73    76   1.51850  1.0 1.0
   73    68    72    50   0.06250  1.0 1.0
   73    68    72    50  -0.01100 -1.0 2.0
   73    68    72    50   0.28050  1.0 3.0
   74    73    76    77   0.19450  1.0 3.0
   75    73    76    77   0.19450  1.0 3.0
   70    64    68    69   0.23400  1.0 3.0
   70    64    68    72   1.51850  1.0 1.0
   70    64    68    73  -0.47750  1.0 1.0
   66    60    64    65   0.23400  1.0 3.0
   66    60    64    68  -0.47750  1.0 1.0
   66    60    64    70   3.77950  1.0 1.0
   62    56    60    61   0.23400  1.0 3.0
   62    56    60    64  -0.47750  1.0 1.0
   62    56    60    66   3.77950  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
