* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    132    209     395
    1     0 S   NP   _N1_     1    28.88012    94.14772   -20.41770
    2     1 S   H    _HN1     2     1.02972    35.24834   123.53211
    3     1 S   H    _H1_     3     1.02789    81.98335   -99.23068
    4     1 S   H    _H2_     4     1.02856    93.85510     8.67783
    5     1 S   CT   _CA1     5     1.50552   143.88570   143.92101
    6     5 S   HC   _HA1     6     1.09679   104.63772    51.32380
    7     5 S   CO3  _C1_     7     1.54459   110.84786   -64.52859
    8     7 S   O2Z  _O11     8     1.26102   116.78736  -121.24268
    9     7 S   O2Z  _O12     9     1.26557   113.73433    57.81083
   10     5 S   CT   _CB1    10     1.53065   106.99763   167.46560
   11    10 S   HC   HB11    11     1.09837   110.03098   -41.74024
   12    10 S   HC   HB12    12     1.09792   110.03772    74.85001
   13    10 S   CT   _CG1    13     1.53098   112.51195  -162.40679
   14    13 S   HC   HG11    14     1.09475   110.88718   -54.31085
   15    13 S   HC   HG12    15     1.09636   109.98899    64.69802
   16    13 S   C    _CD1    16     1.51772   111.87569  -175.25926
   17    16 S   O    _OE1    17     1.22756   123.11954   -10.53883
   18    16 S   N    _N2_    18     1.38589   111.85942   169.81675
   19    18 S   H    _HN2    19     1.01593   119.17423     2.02623
   20    18 S   CT1  _CA2    20     1.46250   123.17671  -176.67675
   21    20 S   HC   _HA2    21     1.09721   109.41425    -9.28711
   22    20 S   C    _C2_    22     1.53366   108.70933  -125.24756
   23    22 S   O    _O2_    23     1.23026   122.13586  -146.91622
   24    20 S   CT   _CB2    32     1.53433   111.17224   112.47436
   25    24 S   HC   HB21    33     1.09431   109.37807    59.74859
   26    24 S   HC   HB22    34     1.09521   110.63930   177.73065
   27    22 S   N    _N3_    24     1.38475   113.45844    40.46849
   28    27 S   H    _HN3    25     1.01521   118.91344    -0.65909
   29    24 S   S    _SG2    35     1.83059   111.57547   -62.81313
   30    27 S   CT   _CA3    26     1.45451   123.48338   175.18472
   31    30 S   HC   HA31    27     1.09520   109.29301    23.39585
   32    30 S   HC   HA32    28     1.09498   107.11082   140.39766
   33    29 S   CT   _C10    36     1.83770   100.18779   146.84074
   34    33 S   HC   _H3_    37     1.09731   105.93434    52.82925
   35    30 S   CO3  _C3_    29     1.52916   113.06197  -100.12570
   36    35 S   O2Z  _O31    30     1.26405   115.37560   -45.39242
   37    35 S   O2Z  _O32    31     1.26351   115.00422   135.53584
   38    33 S   CA   _C9_    38     1.52075   112.60375   -66.76320
   39    33 S   CT   _C11    51     1.53656   108.59455   168.79331
   40    39 S   HC   _H10    52     1.09746   111.94544    65.13020
   41    39 S   HC   _H11    53     1.09737   111.56848   -54.15903
   42    38 S   CA   _C4_    39     1.40604   119.09507   125.03517
   43    42 S   HA   _H7_    40     1.08779   120.35982    -1.22173
   44    39 S   CO4  _C12    54     1.51152   110.51031  -172.61122
   45    44 S   O    _O33    55     1.22408   123.71918    65.60964
   46    42 S   CA   _C5_    41     1.39580   120.95607   177.78424
   47    46 S   HA   _H8_    42     1.08631   119.40141  -179.10278
   48    44 S   OS   _O34    56     1.36221   110.01316  -112.33643
   49    46 S   CA   _C6_    43     1.39187   119.64127     0.15826
   50    48 S   CT   _C13    57     1.44287   117.23816   172.75210
   51    50 S   HC   _H4_    58     1.09859   109.61739    39.20402
   52    49 S   CA   _C7_    44     1.39212   120.18816     0.30001
   53    49 S   OH   _O40    49     1.36720   120.34748  -179.31386
   54    53 S   HO   _H18    50     0.97248   108.51787     6.51204
   55    50 S   CT   _C14    59     1.53803   109.35981   -81.62865
   56    55 S   HC   _H12    60     1.09693   108.55000    74.85102
   57    55 S   HC   _H13    61     1.09689   109.72734   -40.65162
   58    38 S   CA   _C8_    45     1.40547   122.24454   -57.06139
   59    58 S   HA   _H9_    46     1.08731   120.16406     1.38041
   60    52 S   OH   _O39    47     1.36708   119.04574   179.77883
   61    60 S   HO   _H17    48     0.97599   109.37678  -177.54984
   62    55 S   CM   _C15    62     1.50720   113.56838  -162.83781
   63    62 S   CM   _C16    63     1.34448   122.46701    13.01992
   64    63 S   HC   _H14    64     1.08714   120.16753  -178.35741
   65    62 S   CO3  _C19    73     1.54712   117.74181  -166.52123
   66    65 S   O2Z  _O38    74     1.26424   116.09571   152.97680
   67    65 S   O2Z  _O37    75     1.26570   114.92338   -26.59949
   68    63 S   CT   _C17    65     1.50608   123.10128     0.97277
   69    68 S   HC   _H5_    66     1.09685   107.73792  -104.63131
   70    50 S   CT   _C18    67     1.53432   108.49074   157.27840
   71    70 S   HC   _H6_    68     1.09568   110.34866   -58.55475
   72    68 S   OH   _O36    71     1.42453   110.15678   138.59988
   73    72 S   HO   _H16    72     0.97226   107.78159    55.82618
   74    70 S   OH   _O35    69     1.43329   110.09832    57.30936
   75    74 S   HO   _H15    70     0.97210   108.35934    75.86508
  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
   7  14   8   6   3   1  12   5   4   3   1   1   1   9  11   5
   3   1   1   7   5   5   3   2   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    58    59    60    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    53  
   46    47    49    58  
   45    48    50    51    55    70  
   48    50  
   47    49    52    58    60    53    54  
   49    52    53  
   50    51    55    56    57    62    68    70    71    74  
   52    58    59    60    61    53    54  
   51    55    56    57    62    63    68    69    70    71    74    75    72    65  
   55    56    57    62    68    70    71    74  
   58    59    60    61    53    54  
   54    58    60  
    0  
   56    57    62    63    64    68    70    71    74    65    66    67  
   57    62    63    70    65  
   62    63    70    65  
   59    60    61  
   60  
   61  
    0  
   63    64    68    69    70    72    65    66    67  
   64    68    69    70    71    74    72    73    65    66    67  
   68    69    70    72    65  
   66    67    68  
   67  
    0  
   69    70    71    74    75    72    73  
   70    71    74    72    73  
   71    74    75    72    73  
   74    75    72  
   73    74  
    0  
   75  
    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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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
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    53   450.000  1.364
   52    58   469.000  1.400
   52    60   450.000  1.364
   58    59   367.000  1.080
   60    61   553.000  0.945
   53    54   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    55   268.000  1.529
   50    70   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   317.000  1.510
   62    63   549.000  1.340
   62    65   230.000  1.545
   63    64   340.000  1.080
   63    68   317.000  1.510
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   70    74   320.000  1.410
   74    75   553.000  0.945
   72    73   553.000  0.945
   65    66   656.000  1.250
   65    67   656.000  1.250
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    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    58    63.00000  120.00000
   49    52    60    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    58    59    35.00000  120.00000
   52    60    61    35.00000  113.00000
   58    38    42    63.00000  120.00000
   60    52    58    70.00000  120.00000
   53    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    55    50.00000  109.50000
   48    50    70    50.00000  109.50000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    62    70.00000  112.02700
   50    70    68    58.35000  112.70000
   50    70    71    37.50000  110.70000
   50    70    74    50.00000  109.50000
   55    50    51    37.50000  110.70000
   55    62    63    70.00000  124.00000
   55    62    65    65.00000  117.04000
   57    55    56    33.00000  107.80000
   62    55    56    35.00000  109.50000
   62    55    57    35.00000  109.50000
   62    63    64    35.00000  120.00000
   62    63    68    70.00000  124.00000
   62    65    66    85.00000  113.83300
   62    65    67    85.00000  113.83300
   63    68    69    35.00000  109.50000
   63    68    70    70.00000  112.02700
   63    68    72    90.00000  110.39200
   68    63    64    35.00000  117.00000
   68    70    71    37.50000  110.70000
   68    70    74    50.00000  109.50000
   68    72    73    55.00000  108.50000
   70    50    51    37.50000  110.70000
   70    50    55    58.35000  112.70000
   70    68    69    37.50000  110.70000
   70    74    75    55.00000  108.50000
   74    70    71    35.00000  109.50000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   65    62    63    55.00000  124.75400
   67    65    66    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    53   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    58   3.62500 -1.0 2.0
   46    49    52    60   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   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
   49    52    60    61   0.84100 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   58    38    42    43   3.62500 -1.0 2.0
   58    38   -42    46   3.62500 -1.0 2.0
   58    52    60    61   0.84100 -1.0 2.0
   60    52    58    38   3.62500 -1.0 2.0
   60    52    58    59   3.62500 -1.0 2.0
   53    49    52    58   3.62500 -1.0 2.0
   53    49    52    60   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    55  -0.25900  1.0 1.0
   44    48    50    55  -0.47000 -1.0 2.0
   44    48    50    55   0.11750  1.0 3.0
   44    48    50    70  -0.25900  1.0 1.0
   44    48    50    70  -0.47000 -1.0 2.0
   44    48    50    70   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.23400  1.0 3.0
   48    50    55    57   0.23400  1.0 3.0
   48    50    55    62   0.61850  1.0 1.0
   48    50    55    62  -0.22750 -1.0 2.0
   48    50    55    62   0.15300  1.0 3.0
   48    50    70    68   0.62750  1.0 1.0
   48    50    70    68  -0.30950 -1.0 2.0
   48    50    70    68   0.27300  1.0 3.0
   48    50    70    71   0.23400  1.0 3.0
   48    50    70    74   3.69350  1.0 1.0
   48    50    70    74  -1.82950 -1.0 2.0
   50    55    62    63   0.09850  1.0 1.0
   50    55    62    63   0.15250 -1.0 2.0
   50    55    62    63  -0.50650  1.0 3.0
   50    55    62    65   0.09700  1.0 1.0
   50    55    62    65   0.15600 -1.0 2.0
   50    55    62    65  -0.50800  1.0 3.0
   50    70    74    75  -0.11600  1.0 1.0
   50    70    74    75  -0.09450 -1.0 2.0
   50    70    74    75   0.21250  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    62   0.15000  1.0 3.0
   51    50    70    68   0.15000  1.0 3.0
   51    50    70    71   0.15000  1.0 3.0
   51    50    70    74   0.23400  1.0 3.0
   55    50    70    68   0.56750  1.0 1.0
   55    50    70    68  -0.07550 -1.0 2.0
   55    50    70    68   0.20000  1.0 3.0
   55    50    70    71   0.15000  1.0 3.0
   55    50    70    74   0.86500  1.0 1.0
   55    50    70    74  -0.17500 -1.0 2.0
   55    50    70    74   0.20800  1.0 3.0
   55    62    63    64   7.00000 -1.0 2.0
   55    62   -63    68   7.00000 -1.0 2.0
   55    62    65    66  -0.64400  1.0 1.0
   55    62    65    66   0.26850 -1.0 2.0
   55    62    65    67  -0.64400  1.0 1.0
   55    62    65    67   0.26850 -1.0 2.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    65   0.15000  1.0 3.0
   57    55    62    63   0.00000  1.0 1.0
   57    55    62    65   0.15000  1.0 3.0
   62    63    68    69   0.00000  1.0 1.0
   62    63    68    70   0.09850  1.0 1.0
   62    63    68    70   0.15250 -1.0 2.0
   62    63    68    70  -0.50650  1.0 3.0
   62    63    68    72   0.67800  1.0 1.0
   62    63    68    72   0.47050 -1.0 2.0
   62    63    68    72  -0.62500  1.0 3.0
   63    62    65    66  -0.04000 -1.0 2.0
   63    62    65    66  -0.29050  1.0 3.0
   63    62    65    67  -0.04000 -1.0 2.0
   63    62    65    67  -0.29050  1.0 3.0
   63    68   -70    50   0.34400  1.0 1.0
   63    68   -70    50   0.09450 -1.0 2.0
   63    68   -70    50   0.11100  1.0 3.0
   63    68    70    71   0.15000  1.0 3.0
   63    68    70    74   1.05650  1.0 1.0
   63    68    70    74   0.15600 -1.0 2.0
   63    68    70    74   0.53150  1.0 3.0
   63    68    72    73  -0.07800  1.0 1.0
   63    68    72    73  -0.21500 -1.0 2.0
   63    68    72    73  -0.03150  1.0 3.0
   64    63    68    69   0.33100  1.0 3.0
   64    63    68    70   0.00000  1.0 1.0
   64    63    68    72   0.00000  1.0 1.0
   68    70    74    75  -0.11600  1.0 1.0
   68    70    74    75  -0.09450 -1.0 2.0
   68    70    74    75   0.21250  1.0 3.0
   69    68    70    50   0.15000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.23400  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    50    55    56   0.15000  1.0 3.0
   70    50    55    57   0.15000  1.0 3.0
   70    50   -55    62   0.34400  1.0 1.0
   70    50   -55    62   0.09450 -1.0 2.0
   70    50   -55    62   0.11100  1.0 3.0
   70    68    72    73  -0.11600  1.0 1.0
   70    68    72    73  -0.09450 -1.0 2.0
   70    68    72    73   0.21250  1.0 3.0
   71    70    74    75   0.19450  1.0 3.0
   72    68    70    50   0.86500  1.0 1.0
   72    68    70    50  -0.17500 -1.0 2.0
   72    68    70    50   0.20800  1.0 3.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74   3.75450  1.0 1.0
   65    62    63    64   7.00000 -1.0 2.0
   65    62    63    68   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   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    53    49    46   4.00000 -1.0 2.0
   58    60    52    49   4.00000 -1.0 2.0
   52    59    58    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   55    65    62    63   1.10000 -1.0 2.0
   68    64    63    62   1.10000 -1.0 2.0
   66    62    65    67  10.50000 -1.0 2.0
END
