* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    217     410
    1     0 S   NP   _N1_     1    29.45717    91.64056   -23.83439
    2     1 S   H    _HN1     2     1.02779    96.24866  -109.86362
    3     1 S   H    _H1_     3     1.02964   105.08055     1.06716
    4     1 S   H    _H2_     4     1.02840    13.67982   101.25242
    5     1 S   CT   _CA1     5     1.50132   123.09244   128.38615
    6     5 S   HC   _HA1     6     1.09566   105.28099    52.65245
    7     5 S   CO3  _C1_     7     1.53824   112.28753   -67.67695
    8     7 S   O2Z  _O11     8     1.26364   115.00972   -44.15455
    9     7 S   O2Z  _O12     9     1.26234   114.90951   134.94907
   10     5 S   CT   _CB1    10     1.53045   107.39723   170.66102
   11    10 S   HC   HB11    11     1.09825   109.49580   -49.78419
   12    10 S   HC   HB12    12     1.09786   110.24821    66.70624
   13    10 S   CT   _CG1    13     1.53045   112.78281  -170.90532
   14    13 S   HC   HG11    14     1.09588   110.42691   -60.35117
   15    13 S   HC   HG12    15     1.09618   110.14371    59.01477
   16    13 S   C    _CD1    16     1.51738   112.01944   179.44539
   17    16 S   O    _OE1    17     1.22737   123.17963    -6.33571
   18    16 S   N    _N2_    18     1.38630   111.90382   173.70421
   19    18 S   H    _HN2    19     1.01565   119.19934     4.45848
   20    18 S   CT1  _CA2    20     1.46095   123.11561  -175.36384
   21    20 S   HC   _HA2    21     1.09607   109.10584     4.25713
   22    20 S   C    _C2_    22     1.53486   109.60928  -111.26584
   23    22 S   O    _O2_    23     1.23075   121.92663  -147.73734
   24    20 S   CT   _CB2    32     1.53561   111.71078   125.79427
   25    24 S   HC   HB21    33     1.09664   109.52348    70.07511
   26    24 S   HC   HB22    34     1.09583   110.63829  -172.86331
   27    22 S   N    _N3_    24     1.38408   113.81285    39.75076
   28    27 S   H    _HN3    25     1.01468   119.06087    -0.26244
   29    24 S   S    _SG2    35     1.82826   115.14316   -49.32650
   30    27 S   CT   _CA3    26     1.45456   123.40893   175.10111
   31    30 S   HC   HA31    27     1.09524   109.24847    24.95403
   32    30 S   HC   HA32    28     1.09497   107.13542   141.95210
   33    29 S   CT   _C18    36     1.82155   100.31098   -64.30920
   34    33 S   HC   _H21    37     1.09425   108.31141   -64.83820
   35    33 S   HC   _H22    38     1.09283   110.57112    52.79832
   36    30 S   CO3  _C3_    29     1.52917   113.03447   -98.52652
   37    36 S   O2Z  _O31    30     1.26407   115.35791   -46.10370
   38    36 S   O2Z  _O32    31     1.26348   115.01626   134.80031
   39    33 S   CM   _C16    39     1.49888   109.59122   172.94075
   40    39 S   CMA  _C17    40     1.35220   128.41485   109.30079
   41    40 S   OM   _O34    41     1.26265   128.15122    -0.22814
   42    40 S   OS   _O33    42     1.43012   109.31774   178.53126
   43    42 S   CT   _C7_    43     1.43975   104.81040    19.40419
   44    43 S   HC   _H3_    44     1.09865   106.86196    80.80117
   45    43 S   CM   _C6_    45     1.52244   110.65784  -159.78100
   46    39 S   CT   _C8_    63     1.49989   120.73246   -74.24489
   47    46 S   HC   _H4_    64     1.09622   112.95628    47.15477
   48    45 S   CM   _C5_    46     1.35811   122.10562   -96.12960
   49    48 S   CT   _C14    47     1.51475   123.02370  -177.54337
   50    49 S   HC   _H16    48     1.09774   107.85751   109.08955
   51    49 S   HC   _H17    49     1.09689   110.04732  -134.85980
   52    48 S   CT   _C4_    69     1.51024   124.56002     2.80631
   53    52 S   HC   _H5_    70     1.09584   110.42040   138.44373
   54    52 S   HC   _H6_    71     1.09226   113.68222    20.06800
   55    52 S   HC   _H7_    72     1.09450   110.04122  -102.24661
   56    49 S   CT   _C13    50     1.52179   115.04209   -12.88460
   57    56 S   HC   _H14    51     1.09629   109.53263   162.47445
   58    56 S   HC   _H15    52     1.09576   109.96822   -81.08898
   59    56 S   CT   _C12    53     1.51836   110.45588    41.20027
   60    59 S   HC   _H12    54     1.09897   108.21026    63.04835
   61    59 S   HC   _H13    55     1.09739   109.47134   178.34176
   62    45 S   CT   _C11    56     1.53616   116.25923    85.57742
   63    62 S   CT   _C10    57     1.54895   110.59833    42.74806
   64    63 S   HC   _H10    58     1.09767   110.03181  -176.97612
   65    63 S   HC   _H11    59     1.09855   109.83596    66.34479
   66    62 S   CT   _C15    65     1.54691   109.08744   -78.61649
   67    66 S   HC   _H18    66     1.09610   110.90543  -178.36937
   68    66 S   HC   _H19    67     1.09389   112.69660    61.55462
   69    66 S   HC   _H20    68     1.09536   111.82129   -58.26990
   70    63 S   CT   _C9_    60     1.52095   113.33582   -54.84315
   71    70 S   HC   _H8_    61     1.09627   109.09298   178.12330
   72    70 S   HC   _H9_    62     1.09661   109.98204   -66.67809
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  14   6  23   9   4  14
  13   6   5   5   2   1   1   8   5   4  11   4   3  10   9   5
   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    70    46    47  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    63    70    71    72    46    47  
   41    42    43    44    45    70    46    47  
   42    43    46  
   43    44    45    48    62    70    46    47  
   44    45    48    49    59    62    63    70    71    72    46    47    66    52  
   45    48    62    70    46    47  
   48    49    50    51    56    59    60    61    62    63    64    65    70    46    47    66    67    68    69    52    53    54    55  
   47    48    62    63    64    65    70    71    72  
   63    70    71    72  
   49    50    51    56    57    58    59    62    63    66    52    53    54    55  
   50    51    56    57    58    59    60    61    62    52    53    54    55  
   51    56    57    58    59    52  
   56    57    58    59    52  
   53    54    55    56    62  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63    66  
   58    59    60    61    62  
   59    60    61    62  
   60    61    62    63    64    65    70    66    67    68    69  
   61    62    63    66  
   62    63    66  
   63    64    65    70    71    72    66    67    68    69  
   64    65    70    71    72    66    67    68    69  
   65    70    71    72    66  
   70    71    72    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    46   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    46   268.000  1.529
   45    48   549.000  1.340
   45    62   317.000  1.510
   48    49   317.000  1.510
   48    52   317.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   268.000  1.529
   62    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    46   268.000  1.529
   46    47   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    46    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    46    43    70.00000  112.02700
   39    46    70    70.00000  112.02700
   39    46    47    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    46    50.00000  109.50000
   43    45    48    70.00000  124.00000
   43    45    62    65.00000  117.92700
   43    46    70    58.35000  112.70000
   43    46    47    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    48    49    70.00000  124.00000
   45    48    52    70.00000  124.00000
   45    62    59    70.00000  112.02700
   45    62    63    70.00000  112.02700
   45    62    66    70.00000  112.02700
   48    49    50    35.00000  109.50000
   48    49    51    35.00000  109.50000
   48    49    56    70.00000  112.02700
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    62    63    58.35000  112.70000
   59    62    66    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    45    48    70.00000  124.00000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    70    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    46    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    46    47    37.50000  110.70000
   72    70    71    33.00000  107.80000
   46    39    40    70.00000  124.00000
   46    43    44    37.50000  110.70000
   46    43    45    70.00000  112.02700
   46    70    71    37.50000  110.70000
   46    70    72    37.50000  110.70000
   66    62    63    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   52    48    49    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    46   0.30250  1.0 1.0
   29    33    39    46  -0.14950 -1.0 2.0
   29    33    39    46   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    46    43   0.46850  1.0 1.0
   33    39    46    43   0.08550 -1.0 2.0
   33    39    46    43   0.09800  1.0 3.0
   33    39    46    70   0.46850  1.0 1.0
   33    39    46    70   0.08550 -1.0 2.0
   33    39    46    70   0.09800  1.0 3.0
   33    39    46    47   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -46    43   0.09850  1.0 1.0
   40    39   -46    43   0.15250 -1.0 2.0
   40    39   -46    43  -0.50650  1.0 3.0
   40    39    46    70   0.09850  1.0 1.0
   40    39    46    70   0.15250 -1.0 2.0
   40    39    46    70  -0.50650  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    46  -0.46850  1.0 1.0
   40    42   -43    46   0.09300 -1.0 2.0
   40    42   -43    46  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    48   0.39000  1.0 1.0
   42    43    45    48  -0.05800 -1.0 2.0
   42    43    45    48  -0.55150  1.0 3.0
   42    43    45    62   0.09700  1.0 1.0
   42    43    45    62   0.15600 -1.0 2.0
   42    43    45    62  -0.50800  1.0 3.0
   42    43   -46    39   0.61850  1.0 1.0
   42    43   -46    39  -0.22750 -1.0 2.0
   42    43   -46    39   0.15300  1.0 3.0
   42    43    46    70   0.62750  1.0 1.0
   42    43    46    70  -0.30950 -1.0 2.0
   42    43    46    70   0.27300  1.0 3.0
   42    43    46    47   0.23400  1.0 3.0
   43    45    48    49   7.00000 -1.0 2.0
   43    45    48    52   7.00000 -1.0 2.0
   43    45    62    59   0.46850  1.0 1.0
   43    45    62    59   0.08550 -1.0 2.0
   43    45    62    59   0.09800  1.0 3.0
   43    45    62    63   0.46850  1.0 1.0
   43    45    62    63   0.08550 -1.0 2.0
   43    45    62    63   0.09800  1.0 3.0
   43    45    62    66   0.46850  1.0 1.0
   43    45    62    66   0.08550 -1.0 2.0
   43    45    62    66   0.09800  1.0 3.0
   44    43    45    48   0.00000  1.0 1.0
   44    43    45    62   0.34800  1.0 3.0
   44    43    46    39   0.15000  1.0 3.0
   44    43    46    70   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   45    43    46    39   0.31000  1.0 1.0
   45    43    46    39   0.14700 -1.0 2.0
   45    43    46    39   0.07550  1.0 3.0
   45    43    46    70   0.34400  1.0 1.0
   45    43    46    70   0.09450 -1.0 2.0
   45    43    46    70   0.11100  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    48    49    50   0.00000  1.0 1.0
   45    48    49    51   0.00000  1.0 1.0
   45    48    49    56   0.09850  1.0 1.0
   45    48    49    56   0.15250 -1.0 2.0
   45    48    49    56  -0.50650  1.0 3.0
   45    48    52    53   0.00000  1.0 1.0
   45    48    52    54   0.00000  1.0 1.0
   45    48    52    55   0.00000  1.0 1.0
   45    62    63    64   0.15000  1.0 3.0
   45    62    63    65   0.15000  1.0 3.0
   45    62   -63    70   0.34400  1.0 1.0
   45    62   -63    70   0.09450 -1.0 2.0
   45    62   -63    70   0.11100  1.0 3.0
   45    62    66    67   0.15000  1.0 3.0
   45    62    66    68   0.15000  1.0 3.0
   45    62    66    69   0.15000  1.0 3.0
   48    45    62    59   0.09850  1.0 1.0
   48    45    62    59   0.15250 -1.0 2.0
   48    45    62    59  -0.50650  1.0 3.0
   48    45    62    63   0.09850  1.0 1.0
   48    45    62    63   0.15250 -1.0 2.0
   48    45    62    63  -0.50650  1.0 3.0
   48    45    62    66   0.09850  1.0 1.0
   48    45    62    66   0.15250 -1.0 2.0
   48    45    62    66  -0.50650  1.0 3.0
   48    49    56    57   0.15000  1.0 3.0
   48    49    56    58   0.15000  1.0 3.0
   48    49   -56    59   0.34400  1.0 1.0
   48    49   -56    59   0.09450 -1.0 2.0
   48    49   -56    59   0.11100  1.0 3.0
   49    48    52    53   0.34800  1.0 3.0
   49    48    52    54   0.34800  1.0 3.0
   49    48    52    55   0.34800  1.0 3.0
   49    56    59    60   0.15000  1.0 3.0
   49    56    59    61   0.15000  1.0 3.0
   49    56    59    62   0.56750  1.0 1.0
   49    56    59    62  -0.07550 -1.0 2.0
   49    56    59    62   0.20000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    59   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   51    49    56    59   0.15000  1.0 3.0
   56    59   -62    45   0.34400  1.0 1.0
   56    59   -62    45   0.09450 -1.0 2.0
   56    59   -62    45   0.11100  1.0 3.0
   56    59    62    63   0.56750  1.0 1.0
   56    59    62    63  -0.07550 -1.0 2.0
   56    59    62    63   0.20000  1.0 3.0
   56    59    62    66   0.56750  1.0 1.0
   56    59    62    66  -0.07550 -1.0 2.0
   56    59    62    66   0.20000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.15000  1.0 3.0
   59    62    63    64   0.15000  1.0 3.0
   59    62    63    65   0.15000  1.0 3.0
   59    62    63    70   0.56750  1.0 1.0
   59    62    63    70  -0.07550 -1.0 2.0
   59    62    63    70   0.20000  1.0 3.0
   59    62    66    67   0.15000  1.0 3.0
   59    62    66    68   0.15000  1.0 3.0
   59    62    66    69   0.15000  1.0 3.0
   60    59    62    45   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   61    59    62    45   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    66   0.15000  1.0 3.0
   62    45   -48    49   7.00000 -1.0 2.0
   62    45    48    52   7.00000 -1.0 2.0
   62    63    70    71   0.15000  1.0 3.0
   62    63    70    72   0.15000  1.0 3.0
   62    63    70    46   0.56750  1.0 1.0
   62    63    70    46  -0.07550 -1.0 2.0
   62    63    70    46   0.20000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   63    70    46    39   0.34400  1.0 1.0
   63    70    46    39   0.09450 -1.0 2.0
   63    70    46    39   0.11100  1.0 3.0
   63    70   -46    43   0.56750  1.0 1.0
   63    70   -46    43  -0.07550 -1.0 2.0
   63    70   -46    43   0.20000  1.0 3.0
   63    70    46    47   0.15000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    46   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    46   0.15000  1.0 3.0
   71    70    46    39   0.15000  1.0 3.0
   71    70    46    43   0.15000  1.0 3.0
   71    70    46    47   0.15000  1.0 3.0
   72    70    46    39   0.15000  1.0 3.0
   72    70    46    43   0.15000  1.0 3.0
   72    70    46    47   0.15000  1.0 3.0
   46    39    40    41   7.00000 -1.0 2.0
   46    39   -40    42   7.00000 -1.0 2.0
   46    43    45    48   0.09850  1.0 1.0
   46    43    45    48   0.15250 -1.0 2.0
   46    43    45    48  -0.50650  1.0 3.0
   46    43   -45    62   0.46850  1.0 1.0
   46    43   -45    62   0.08550 -1.0 2.0
   46    43   -45    62   0.09800  1.0 3.0
   66    62    63    64   0.15000  1.0 3.0
   66    62    63    65   0.15000  1.0 3.0
   66    62    63    70   0.56750  1.0 1.0
   66    62    63    70  -0.07550 -1.0 2.0
   66    62    63    70   0.20000  1.0 3.0
   52    48    49    50   0.34800  1.0 3.0
   52    48    49    51   0.34800  1.0 3.0
   52    48    49    56   0.46850  1.0 1.0
   52    48    49    56   0.08550 -1.0 2.0
   52    48    49    56   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    46    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    62    45    48   1.10000 -1.0 2.0
   49    52    48    45   1.10000 -1.0 2.0
END
