* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    139    216     415
    1     0 S   NP   _N1_     1    27.90330    97.34317   -21.26929
    2     1 S   H    _HN1     2     1.02776    93.81852   -98.82959
    3     1 S   H    _H1_     3     1.02957    70.90324     9.26813
    4     1 S   H    _H2_     4     1.02835    45.68989   149.75159
    5     1 S   CT   _CA1     5     1.50129   150.87222   107.09200
    6     5 S   HC   _HA1     6     1.09574   105.21730    90.40247
    7     5 S   CO3  _C1_     7     1.53790   112.37087   -29.80076
    8     7 S   O2Z  _O11     8     1.26367   114.99493   -43.55577
    9     7 S   O2Z  _O12     9     1.26235   114.93704   135.55543
   10     5 S   CT   _CB1    10     1.53096   107.42491  -151.66673
   11    10 S   HC   HB11    11     1.09826   109.35153   -50.33458
   12    10 S   HC   HB12    12     1.09816   110.41803    66.22933
   13    10 S   CT   _CG1    13     1.53015   112.66557  -171.39803
   14    13 S   HC   HG11    14     1.09593   110.49587   -64.22373
   15    13 S   HC   HG12    15     1.09656   109.92006    54.98256
   16    13 S   C    _CD1    16     1.51833   112.31519   175.36874
   17    16 S   O    _OE1    17     1.22753   123.29685     0.49889
   18    16 S   N    _N2_    18     1.38555   111.71014  -179.62570
   19    18 S   H    _HN2    19     1.01568   119.01841     4.88243
   20    18 S   CT1  _CA2    20     1.45761   122.87659   177.82246
   21    20 S   HC   _HA2    21     1.09744   109.04866    21.36435
   22    20 S   C    _C2_    22     1.52874   107.13896   -95.76891
   23    22 S   O    _O2_    23     1.22949   122.93449   -27.20483
   24    20 S   CT   _CB2    32     1.53428   112.30561   144.53834
   25    24 S   HC   HB21    33     1.09442   109.86954    54.02908
   26    24 S   HC   HB22    34     1.09146   109.18863   172.75825
   27    22 S   N    _N3_    24     1.38642   112.34675   156.00143
   28    27 S   H    _HN3    25     1.01476   119.74578    -0.75873
   29    24 S   S    _SG2    35     1.82649   110.46964   -66.85186
   30    27 S   CT   _CA3    26     1.45384   122.63827   173.98360
   31    30 S   HC   HA31    27     1.09551   108.70760    35.18921
   32    30 S   HC   HA32    28     1.09479   107.11165   152.32405
   33    29 S   CT   _C9_    36     1.86495   103.11001  -173.04004
   34    30 S   CO3  _C3_    29     1.53162   114.24541   -87.32016
   35    34 S   O2Z  _O31    30     1.26329   116.31457   -16.88539
   36    34 S   O2Z  _O32    31     1.26479   114.33248   163.82741
   37    33 S   CT   _C8_    37     1.56828   108.37544  -175.80993
   38    37 S   HC   _H11    38     1.10096   107.45368   166.08864
   39    37 S   HC   _H12    39     1.10190   108.52632    55.28738
   40    33 S   CT   _C10    62     1.57275   115.71852    53.30515
   41    40 S   HC   _H4_    63     1.09453   108.71570   -56.49313
   42    33 S   CT   _C18    72     1.56163   104.31480   -64.50404
   43    42 S   HC   _H20    73     1.09518   112.12077    71.93444
   44    42 S   HC   _H21    74     1.09708   112.15965   -50.06681
   45    42 S   HC   _H22    75     1.09678   111.31722  -169.00218
   46    37 S   CT   _C7_    40     1.54556   123.06214   -71.06405
   47    46 S   HC   _H3_    41     1.08678   109.70010   -70.92477
   48    40 S   OH   _O35    64     1.44429   107.05520  -169.14710
   49    48 S   HO   _H19    65     0.97284   107.64407   167.10609
   50    46 S   CM   _C6_    42     1.50138   116.56954    57.94933
   51    50 S   HC   _H10    43     1.09010   114.06722    56.03345
   52    46 S   OH   _O36    70     1.43754   107.14864   175.87707
   53    52 S   HO   _H23    71     0.97242   107.53632    59.97350
   54    50 S   CM   _C5_    44     1.35017   128.19559  -123.96675
   55    54 S   CT   _C14    45     1.51665   124.72002    -1.91785
   56    55 S   HC   _H15    46     1.09812   108.26581  -139.38496
   57    55 S   HC   _H16    47     1.09523   109.71494   -25.50010
   58    54 S   CT   _C4_    66     1.50664   120.08250   178.92117
   59    58 S   HC   _H7_    67     1.09481   110.34193   121.70931
   60    58 S   HC   _H8_    68     1.09521   112.32925     1.80494
   61    58 S   HC   _H9_    69     1.09422   110.49347  -118.12965
   62    55 S   CT   _C13    48     1.53868   115.87654    97.79812
   63    62 S   HC   _H6_    49     1.10011   107.39494  -165.14911
   64    62 S   CT   _C12    50     1.52607   115.90215   -40.12629
   65    64 S   HC   _H5_    51     1.08534   108.57137    49.06320
   66    64 S   CM   _C16    52     1.49215    98.43158   158.67662
   67    64 S   CT   _C11    59     1.52600   112.59595   -75.16853
   68    67 S   HC   _H13    60     1.10060   108.50247   -84.73739
   69    67 S   HC   _H14    61     1.09208   110.87306    26.42028
   70    66 S   CO4  _C15    53     1.48326   107.37828   -29.52845
   71    70 S   O    _O34    54     1.21718   127.11943  -165.78835
   72    66 S   CM   _C17    56     1.33473   130.85601   148.56311
   73    72 S   HC   _H17    57     1.08438   121.40051     1.34756
   74    72 S   HC   _H18    58     1.08542   121.67339  -179.03856
   75    62 S   OS   _O33    55     1.43881   110.98916    79.16160
  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  13   5   4   3
  19   2   1   1  17   7   6  15   7   6   2   1   1   8   5   5
   1  12   4   2   1  11  14   6   5   4   2   1   1  11   6  11
   7   9   5   1   1   5   2   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    67    40    41    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    50    64    67    68    69    40    41    48    49    52    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    50    51    54    67    40    41    48    52    53    42    43    44    45  
   39    46    47    50    40    52    42  
   46    47    50    40    52    42  
   41    48    49    42    43    44    45    46    62    64    65    66    67    68    69  
   48    49    42    64    67    68    69  
   43    44    45    46    48    67  
   44    45  
   45  
    0  
   47    50    51    54    55    58    52    53  
   50    51    54    52    53  
   49    64    67    68    69  
   67  
   51    54    55    56    57    62    58    59    60    61    52    53  
   54    55    58    52  
   53    54  
    0  
   55    56    57    62    63    64    75    58    59    60    61  
   56    57    62    63    64    65    66    70    75    67    58    59    60    61  
   57    62    63    64    75    58  
   62    63    64    75    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    70    71    75    72    67    68    69  
   64    65    66    70    75    67  
   65    66    70    71    75    72    73    74    67    68    69  
   66    70    75    72    67    68    69  
   70    71    75    72    73    74    67    68    69  
   68    69    70    72    75  
   69  
    0  
   71    75    72    73    74  
   75    72  
   73    74    75  
   74  
    0  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    52   320.000  1.410
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   317.000  1.510
   54    58   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    75   320.000  1.410
   64    65   340.000  1.090
   64    66   317.000  1.510
   64    67   268.000  1.529
   66    70   320.000  1.462
   66    72   549.000  1.340
   70    71   570.000  1.229
   70    75   214.000  1.327
   72    73   340.000  1.080
   72    74   340.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   52    53   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    67    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    50    70.00000  112.02700
   37    46    52    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    50    51    35.00000  117.00000
   46    50    54    70.00000  124.00000
   46    52    53    55.00000  108.50000
   50    46    47    35.00000  109.50000
   50    54    55    70.00000  124.00000
   50    54    58    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    62    70.00000  112.02700
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   55    62    63    37.50000  110.70000
   55    62    64    58.35000  112.70000
   55    62    75    50.00000  109.50000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    70.00000  112.02700
   62    64    67    58.35000  112.70000
   62    75    70    83.00000  116.90000
   64    62    63    37.50000  110.70000
   64    66    70    65.00000  116.34900
   64    66    72    70.00000  124.00000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    40    58.35000  112.70000
   66    64    65    35.00000  109.50000
   66    70    71    80.00000  123.72100
   66    70    75    90.00000  111.29400
   66    72    73    35.00000  120.00000
   66    72    74    35.00000  120.00000
   75    62    63    35.00000  109.50000
   75    62    64    50.00000  109.50000
   75    70    71    83.00000  123.40000
   72    66    70    65.00000  118.96000
   74    72    73    35.00000  117.00000
   67    64    65    37.50000  110.70000
   67    64    66    70.00000  112.02700
   67    40    41    37.50000  110.70000
   67    40    48    50.00000  109.50000
   69    67    68    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    67    68    37.50000  110.70000
   40    67    69    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   58    54    55    65.00000  117.92700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    50    90.00000  110.39200
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    67   0.44750  1.0 1.0
   29    33    40    67  -0.17800 -1.0 2.0
   29    33    40    67   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    50   0.34400  1.0 1.0
   33    37    46    50   0.09450 -1.0 2.0
   33    37    46    50   0.11100  1.0 3.0
   33    37    46    52   0.86500  1.0 1.0
   33    37    46    52  -0.17500 -1.0 2.0
   33    37    46    52   0.20800  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   37    33    40    67   0.56750  1.0 1.0
   37    33    40    67  -0.07550 -1.0 2.0
   37    33    40    67   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    50    51   0.00000  1.0 1.0
   37    46    50    54   0.09850  1.0 1.0
   37    46    50    54   0.15250 -1.0 2.0
   37    46    50    54  -0.50650  1.0 3.0
   37    46    52    53  -0.11600  1.0 1.0
   37    46    52    53  -0.09450 -1.0 2.0
   37    46    52    53   0.21250  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    50   0.15000  1.0 3.0
   38    37    46    52   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    50   0.15000  1.0 3.0
   39    37    46    52   0.23400  1.0 3.0
   46    50    54    55   7.00000 -1.0 2.0
   46    50    54    58   7.00000 -1.0 2.0
   47    46    50    51   0.33100  1.0 3.0
   47    46    50    54   0.00000  1.0 1.0
   47    46    52    53   0.19450  1.0 3.0
   50    46    52    53  -0.07800  1.0 1.0
   50    46    52    53  -0.21500 -1.0 2.0
   50    46    52    53  -0.03150  1.0 3.0
   50    54    55    56   0.00000  1.0 1.0
   50    54    55    57   0.00000  1.0 1.0
   50    54    55    62   0.09850  1.0 1.0
   50    54    55    62   0.15250 -1.0 2.0
   50    54    55    62  -0.50650  1.0 3.0
   50    54    58    59   0.00000  1.0 1.0
   50    54    58    60   0.00000  1.0 1.0
   50    54    58    61   0.00000  1.0 1.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    58   7.00000 -1.0 2.0
   54    55    62    63   0.15000  1.0 3.0
   54    55    62    64   0.34400  1.0 1.0
   54    55    62    64   0.09450 -1.0 2.0
   54    55    62    64   0.11100  1.0 3.0
   54    55    62    75   0.61850  1.0 1.0
   54    55    62    75  -0.22750 -1.0 2.0
   54    55    62    75   0.15300  1.0 3.0
   55    54    58    59   0.34800  1.0 3.0
   55    54    58    60   0.34800  1.0 3.0
   55    54    58    61   0.34800  1.0 3.0
   55    62    64    65   0.15000  1.0 3.0
   55    62    64    66   0.34400  1.0 1.0
   55    62    64    66   0.09450 -1.0 2.0
   55    62    64    66   0.11100  1.0 3.0
   55    62    64    67   0.56750  1.0 1.0
   55    62    64    67  -0.07550 -1.0 2.0
   55    62    64    67   0.20000  1.0 3.0
   55    62    75    70  -0.25900  1.0 1.0
   55    62    75    70  -0.47000 -1.0 2.0
   55    62    75    70   0.11750  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    75   0.23400  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    75   0.23400  1.0 3.0
   62    64   -66    70   0.09700  1.0 1.0
   62    64   -66    70   0.15600 -1.0 2.0
   62    64   -66    70  -0.50800  1.0 3.0
   62    64    66    72   0.09850  1.0 1.0
   62    64    66    72   0.15250 -1.0 2.0
   62    64    66    72  -0.50650  1.0 3.0
   62    64    67    68   0.15000  1.0 3.0
   62    64    67    69   0.15000  1.0 3.0
   62    64    67    40   0.56750  1.0 1.0
   62    64    67    40  -0.07550 -1.0 2.0
   62    64    67    40   0.20000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   63    62    75    70   0.08050  1.0 3.0
   64    62   -75    70  -0.25900  1.0 1.0
   64    62   -75    70  -0.47000 -1.0 2.0
   64    62   -75    70   0.11750  1.0 3.0
   64    66    70    71  -0.64400  1.0 1.0
   64    66    70    71   0.26850 -1.0 2.0
   64    66   -70    75  -0.15000  1.0 1.0
   64    66   -70    75   0.89550 -1.0 2.0
   64    66   -70    75  -0.06900  1.0 3.0
   64    66    72    73   7.00000 -1.0 2.0
   64    66    72    74   7.00000 -1.0 2.0
   64    67    40    33   0.56750  1.0 1.0
   64    67    40    33  -0.07550 -1.0 2.0
   64    67    40    33   0.20000  1.0 3.0
   64    67    40    41   0.15000  1.0 3.0
   64    67    40    48   0.86500  1.0 1.0
   64    67    40    48  -0.17500 -1.0 2.0
   64    67    40    48   0.20800  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.00000  1.0 1.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    40   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    40   0.34400  1.0 1.0
   66    64    67    40   0.09450 -1.0 2.0
   66    64    67    40   0.11100  1.0 3.0
   66    70   -75    62   2.00000 -1.0 2.0
   70    66    72    73   7.00000 -1.0 2.0
   70    66    72    74   7.00000 -1.0 2.0
   71    70    75    62   3.00000 -1.0 2.0
   75    62    64    65   0.23400  1.0 3.0
   75    62   -64    66   0.61850  1.0 1.0
   75    62   -64    66  -0.22750 -1.0 2.0
   75    62   -64    66   0.15300  1.0 3.0
   75    62    64    67   0.62750  1.0 1.0
   75    62    64    67  -0.30950 -1.0 2.0
   75    62    64    67   0.27300  1.0 3.0
   72    66    70    71   1.00000 -1.0 2.0
   72    66    70    75  -0.56150  1.0 1.0
   72    66    70    75   2.19150 -1.0 2.0
   67    64    66    70   0.09700  1.0 1.0
   67    64    66    70   0.15600 -1.0 2.0
   67    64    66    70  -0.50800  1.0 3.0
   67    64    66    72   0.09850  1.0 1.0
   67    64    66    72   0.15250 -1.0 2.0
   67    64    66    72  -0.50650  1.0 3.0
   67    40    48    49  -0.11600  1.0 1.0
   67    40    48    49  -0.09450 -1.0 2.0
   67    40    48    49   0.21250  1.0 3.0
   68    67    40    33   0.15000  1.0 3.0
   68    67    40    41   0.15000  1.0 3.0
   68    67    40    48   0.23400  1.0 3.0
   69    67    40    33   0.15000  1.0 3.0
   69    67    40    41   0.15000  1.0 3.0
   69    67    40    48   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   58    54    55    56   0.34800  1.0 3.0
   58    54    55    57   0.34800  1.0 3.0
   58    54    55    62   0.46850  1.0 1.0
   58    54    55    62   0.08550 -1.0 2.0
   58    54    55    62   0.09800  1.0 3.0
   52    46    50    51   0.00000  1.0 1.0
   52    46    50    54   0.67800  1.0 1.0
   52    46    50    54   0.47050 -1.0 2.0
   52    46    50    54  -0.62500  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    67   0.56750  1.0 1.0
   42    33    40    67  -0.07550 -1.0 2.0
   42    33    40    67   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   46    51    50    54   1.10000 -1.0 2.0
   55    58    54    50   1.10000 -1.0 2.0
   64    70    66    72   1.10000 -1.0 2.0
   66    75    70    71  10.50000 -1.0 2.0
   73    74    72    66   1.10000 -1.0 2.0
END
