* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    229     425
    1     0 S   NP   _N1_     1    29.06578    93.16286   -22.69030
    2     1 S   H    _HN1     2     1.02780    95.08434   -95.17113
    3     1 S   H    _H1_     3     1.02957    96.16479    13.91464
    4     1 S   H    _H2_     4     1.02843    21.21011   136.39642
    5     1 S   CT   _CA1     5     1.50095   131.93772   138.62614
    6     5 S   HC   _HA1     6     1.09566   105.29978    58.36936
    7     5 S   CO3  _C1_     7     1.53818   112.26451   -62.03995
    8     7 S   O2Z  _O11     8     1.26366   115.00448   -46.36510
    9     7 S   O2Z  _O12     9     1.26227   114.90985   132.84344
   10     5 S   CT   _CB1    10     1.53071   107.46445   176.40762
   11    10 S   HC   HB11    11     1.09823   109.55185   -49.77221
   12    10 S   HC   HB12    12     1.09822   110.31244    66.78182
   13    10 S   CT   _CG1    13     1.53045   112.62338  -170.81436
   14    13 S   HC   HG11    14     1.09587   110.45634   -59.64462
   15    13 S   HC   HG12    15     1.09623   110.10976    59.65832
   16    13 S   C    _CD1    16     1.51728   112.06913  -179.88986
   17    16 S   O    _OE1    17     1.22759   123.17346    -5.57809
   18    16 S   N    _N2_    18     1.38662   111.82874   174.15481
   19    18 S   H    _HN2    19     1.01587   119.24467     2.68540
   20    18 S   CT1  _CA2    20     1.46025   122.99624  -176.78368
   21    20 S   HC   _HA2    21     1.09560   109.11264    -7.83043
   22    20 S   C    _C2_    22     1.53420   109.25861  -122.98976
   23    22 S   O    _O2_    23     1.23043   121.97826  -149.40919
   24    20 S   CT   _CB2    32     1.53595   111.90251   114.17432
   25    24 S   HC   HB21    33     1.09676   109.28303    68.55086
   26    24 S   HC   HB22    34     1.09525   110.67628  -174.76247
   27    22 S   N    _N3_    24     1.38430   113.58675    38.19118
   28    27 S   H    _HN3    25     1.01508   118.94796    -0.83134
   29    24 S   S    _SG2    35     1.83169   115.32076   -50.49930
   30    27 S   CT   _CA3    26     1.45452   123.45743   174.62065
   31    30 S   HC   HA31    27     1.09522   109.23227    24.54591
   32    30 S   HC   HA32    28     1.09493   107.12843   141.59335
   33    29 S   CT   _C14    36     1.82941   101.23391   -67.01162
   34    33 S   HC   _H3_    37     1.09341   106.93074    39.54228
   35    30 S   CO3  _C3_    29     1.52942   113.11146   -98.89378
   36    35 S   O2Z  _O31    30     1.26404   115.42984   -42.99444
   37    35 S   O2Z  _O32    31     1.26356   114.95948   137.90001
   38    33 S   CT   _C8_    38     1.53322   110.04037   -78.14946
   39    38 S   HC   _H23    39     1.09551   110.76887   146.05603
   40    38 S   HC   _H24    40     1.09294   114.70598    21.98278
   41    38 S   CO4  _C6_    41     1.51083   103.69186   -98.59401
   42    41 S   O    _O17    42     1.22706   121.70394   169.62447
   43    41 S   CT   _C15    43     1.54299   113.62505   -10.02860
   44    43 S   CT   _C13    44     1.55544   109.92975  -131.68410
   45    44 S   HC   _H31    45     1.09713   109.06431    54.03557
   46    33 S   CT   _C16    63     1.56102   119.13922   163.32608
   47    43 S   CT   _C18    70     1.53751   104.62188   108.80071
   48    47 S   HC   _H36    71     1.08962   112.96113   175.32320
   49    47 S   HC   _H37    72     1.09726   110.97391    56.06179
   50    47 S   HC   _H38    73     1.09033   113.12684   -62.00649
   51    44 S   CT   _C11    46     1.53742   119.36608   178.96391
   52    51 S   HC   _H29    47     1.10032   106.52192  -139.89416
   53    46 S   OH   _O19    64     1.46739   102.44752  -166.98189
   54    53 S   HO   _H39    65     0.97355   108.21746    65.44995
   55    51 S   CM   _C4_    48     1.49658   102.24042   108.61697
   56    51 S   CT   _C9_    55     1.53333   120.35362   -18.05133
   57    56 S   HC   _H25    56     1.09972   106.96779  -169.73205
   58    56 S   HC   _H26    57     1.09392   111.80638    76.53410
   59    55 S   CO4  _C5_    49     1.47011   109.65571    13.25206
   60    59 S   O    _O16    50     1.21758   127.12272   173.76797
   61    55 S   CM   _C7_    52     1.33721   129.74479  -165.62233
   62    61 S   HC   _H21    53     1.08443   121.36041    -1.02946
   63    61 S   HC   _H22    54     1.08549   121.73470   179.32247
   64    56 S   CT   _C10    58     1.52228   115.78509   -51.41205
   65    64 S   HC   _H27    59     1.09905   107.71210  -154.66633
   66    64 S   HC   _H28    60     1.09654   109.78399   -41.16716
   67    44 S   OS   _O18    51     1.45306   110.03015   -59.09872
   68    64 S   CT   _C12    61     1.54843   115.38796    85.23519
   69    68 S   HC   _H30    62     1.10069   103.62614   177.54075
   70    68 S   CT   _C17    66     1.53117   110.26821    66.21354
   71    70 S   HC   _H33    67     1.08855   113.70287   -83.57646
   72    70 S   HC   _H34    68     1.09204   111.26220   153.60071
   73    70 S   HC   _H35    69     1.09636   110.66820    36.94814
  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  10   5   4   3
  16   8   2   1   1  10   5   4  13   4  19  19   8  18   7   2
   1   1  15   8   5   1  10  11   5   4   5   2   3   1   1   8
   4   3   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    68    46    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    64    68    69    46    53    54    70    47  
   38    39    40    41    43    68    46    53  
   36    37  
   37  
    0  
   39    40    41    42    43    44    68    46    53    47  
   40    41    42    43    46  
   41    42    43    46  
   42    43    44    45    51    67    68    46    53    47    48    49    50  
   43    44    46    47  
   44    45    51    52    55    59    67    56    64    68    69    46    53    54    70    47    48    49    50  
   45    51    52    55    59    60    67    61    56    57    58    64    68    46    53    47    48    49    50  
   51    52    55    59    67    56    46    47  
   53    54    70    71    72    73    47    48    49    50    51    56    64    65    66    67    68    69  
   48    49    50    51    53    67    68  
   49    50  
   50  
    0  
   52    55    59    60    67    61    62    63    56    57    58    64    65    66    68  
   55    59    67    61    56    57    58    64  
   54    70    64    68    69  
   68  
   59    60    67    61    62    63    56    57    58    64  
   57    58    64    65    66    68    69    70    59    61    67  
   58    64    65    66    68  
   64    65    66    68  
   60    67    61    62    63  
   67    61  
   62    63    67  
   63  
    0  
   65    66    68    69    70    71    72    73  
   66    68    69    70  
   68    69    70  
    0  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.060000   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  -0.180000   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
   73   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    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   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    47   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    67   320.000  1.410
   51    52   340.000  1.090
   51    55   317.000  1.510
   51    56   268.000  1.529
   55    59   320.000  1.462
   55    61   549.000  1.340
   59    60   570.000  1.229
   59    67   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    46   268.000  1.529
   68    70   268.000  1.529
   46    53   320.000  1.410
   53    54   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    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    75.00000  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    46    43    58.35000  112.70000
   33    46    68    58.35000  112.70000
   33    46    53    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    47    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    51    58.35000  112.70000
   43    44    67    50.00000  109.50000
   43    46    68    58.35000  112.70000
   43    46    53    50.00000  109.50000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    55    70.00000  112.02700
   44    51    56    58.35000  112.70000
   44    67    59    83.00000  116.90000
   51    44    45    37.50000  110.70000
   51    55    59    65.00000  116.34900
   51    55    61    70.00000  124.00000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    64    58.35000  112.70000
   55    51    52    35.00000  109.50000
   55    59    60    80.00000  123.72100
   55    59    67    90.00000  111.29400
   55    61    62    35.00000  120.00000
   55    61    63    35.00000  120.00000
   67    44    45    35.00000  109.50000
   67    44    51    50.00000  109.50000
   67    59    60    83.00000  123.40000
   61    55    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   56    51    52    37.50000  110.70000
   56    51    55    70.00000  112.02700
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    68    58.35000  112.70000
   58    56    57    33.00000  107.80000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    46    58.35000  112.70000
   64    68    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    46    53    50.00000  109.50000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    37.50000  110.70000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    43    44    58.35000  112.70000
   46    68    69    37.50000  110.70000
   46    53    54    55.00000  108.50000
   70    68    69    37.50000  110.70000
   70    68    46    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   47    43    44    58.35000  112.70000
   47    43    46    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    46    43   0.44750  1.0 1.0
   29    33    46    43  -0.17800 -1.0 2.0
   29    33    46    43   0.20200  1.0 3.0
   29    33    46    68   0.44750  1.0 1.0
   29    33    46    68  -0.17800 -1.0 2.0
   29    33    46    68   0.20200  1.0 3.0
   29    33    46    53   0.56750  1.0 1.0
   29    33    46    53  -0.07550 -1.0 2.0
   29    33    46    53   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    46    53    54  -0.11600  1.0 1.0
   33    46    53    54  -0.09450 -1.0 2.0
   33    46    53    54   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    46    43   0.15000  1.0 3.0
   34    33    46    68   0.15000  1.0 3.0
   34    33    46    53   0.23400  1.0 3.0
   38    33   -46    43   0.56750  1.0 1.0
   38    33   -46    43  -0.07550 -1.0 2.0
   38    33   -46    43   0.20000  1.0 3.0
   38    33    46    68   0.56750  1.0 1.0
   38    33    46    68  -0.07550 -1.0 2.0
   38    33    46    68   0.20000  1.0 3.0
   38    33    46    53   0.86500  1.0 1.0
   38    33    46    53  -0.17500 -1.0 2.0
   38    33    46    53   0.20800  1.0 3.0
   38    41    43    44   0.60050  1.0 1.0
   38    41    43    44   0.05600 -1.0 2.0
   38    41    43    44   0.26150  1.0 3.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   38    41    43    47   0.60050  1.0 1.0
   38    41    43    47   0.05600 -1.0 2.0
   38    41    43    47   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    51  -0.95700  1.0 1.0
   41    43    44    51  -0.18200 -1.0 2.0
   41    43    44    51   0.29450  1.0 3.0
   41    43    44    67  -0.09450  1.0 1.0
   41    43    44    67  -1.12950 -1.0 2.0
   41    43    44    67   0.54000  1.0 3.0
   41    43   -46    33  -0.95700  1.0 1.0
   41    43   -46    33  -0.18200 -1.0 2.0
   41    43   -46    33   0.29450  1.0 3.0
   41    43    46    68  -0.95700  1.0 1.0
   41    43    46    68  -0.18200 -1.0 2.0
   41    43    46    68   0.29450  1.0 3.0
   41    43    46    53  -0.09450  1.0 1.0
   41    43    46    53  -1.12950 -1.0 2.0
   41    43    46    53   0.54000  1.0 3.0
   41    43    47    48  -0.11250  1.0 3.0
   41    43    47    49  -0.11250  1.0 3.0
   41    43    47    50  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    47   0.30150 -1.0 2.0
   43    44    51    52   0.15000  1.0 3.0
   43    44    51    55   0.34400  1.0 1.0
   43    44    51    55   0.09450 -1.0 2.0
   43    44    51    55   0.11100  1.0 3.0
   43    44    51    56   0.56750  1.0 1.0
   43    44    51    56  -0.07550 -1.0 2.0
   43    44    51    56   0.20000  1.0 3.0
   43    44    67    59  -0.25900  1.0 1.0
   43    44    67    59  -0.47000 -1.0 2.0
   43    44    67    59   0.11750  1.0 3.0
   43    46    53    54  -0.11600  1.0 1.0
   43    46    53    54  -0.09450 -1.0 2.0
   43    46    53    54   0.21250  1.0 3.0
   44    43    46    33   0.56750  1.0 1.0
   44    43    46    33  -0.07550 -1.0 2.0
   44    43    46    33   0.20000  1.0 3.0
   44    43    46    68   0.56750  1.0 1.0
   44    43    46    68  -0.07550 -1.0 2.0
   44    43    46    68   0.20000  1.0 3.0
   44    43    46    53   0.86500  1.0 1.0
   44    43    46    53  -0.17500 -1.0 2.0
   44    43    46    53   0.20800  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    51   -55    59   0.09700  1.0 1.0
   44    51   -55    59   0.15600 -1.0 2.0
   44    51   -55    59  -0.50800  1.0 3.0
   44    51    55    61   0.09850  1.0 1.0
   44    51    55    61   0.15250 -1.0 2.0
   44    51    55    61  -0.50650  1.0 3.0
   44    51    56    57   0.15000  1.0 3.0
   44    51    56    58   0.15000  1.0 3.0
   44    51    56    64   0.56750  1.0 1.0
   44    51    56    64  -0.07550 -1.0 2.0
   44    51    56    64   0.20000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    55   0.15000  1.0 3.0
   45    44    51    56   0.15000  1.0 3.0
   45    44    67    59   0.08050  1.0 3.0
   51    44   -67    59  -0.25900  1.0 1.0
   51    44   -67    59  -0.47000 -1.0 2.0
   51    44   -67    59   0.11750  1.0 3.0
   51    55    59    60  -0.64400  1.0 1.0
   51    55    59    60   0.26850 -1.0 2.0
   51    55   -59    67  -0.15000  1.0 1.0
   51    55   -59    67   0.89550 -1.0 2.0
   51    55   -59    67  -0.06900  1.0 3.0
   51    55    61    62   7.00000 -1.0 2.0
   51    55    61    63   7.00000 -1.0 2.0
   51    56    64    65   0.15000  1.0 3.0
   51    56    64    66   0.15000  1.0 3.0
   51    56    64    68   0.56750  1.0 1.0
   51    56    64    68  -0.07550 -1.0 2.0
   51    56    64    68   0.20000  1.0 3.0
   52    51    55    59   0.15000  1.0 3.0
   52    51    55    61   0.00000  1.0 1.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    64   0.15000  1.0 3.0
   55    51    56    57   0.15000  1.0 3.0
   55    51    56    58   0.15000  1.0 3.0
   55    51    56    64   0.34400  1.0 1.0
   55    51    56    64   0.09450 -1.0 2.0
   55    51    56    64   0.11100  1.0 3.0
   55    59   -67    44   2.00000 -1.0 2.0
   59    55    61    62   7.00000 -1.0 2.0
   59    55    61    63   7.00000 -1.0 2.0
   60    59    67    44   3.00000 -1.0 2.0
   67    44    51    52   0.23400  1.0 3.0
   67    44   -51    55   0.61850  1.0 1.0
   67    44   -51    55  -0.22750 -1.0 2.0
   67    44   -51    55   0.15300  1.0 3.0
   67    44    51    56   0.62750  1.0 1.0
   67    44    51    56  -0.30950 -1.0 2.0
   67    44    51    56   0.27300  1.0 3.0
   61    55    59    60   1.00000 -1.0 2.0
   61    55    59    67  -0.56150  1.0 1.0
   61    55    59    67   2.19150 -1.0 2.0
   56    51    55    59   0.09700  1.0 1.0
   56    51    55    59   0.15600 -1.0 2.0
   56    51    55    59  -0.50800  1.0 3.0
   56    51    55    61   0.09850  1.0 1.0
   56    51    55    61   0.15250 -1.0 2.0
   56    51    55    61  -0.50650  1.0 3.0
   56    64    68    69   0.15000  1.0 3.0
   56    64    68    46   0.56750  1.0 1.0
   56    64    68    46  -0.07550 -1.0 2.0
   56    64    68    46   0.20000  1.0 3.0
   56    64    68    70   0.56750  1.0 1.0
   56    64    68    70  -0.07550 -1.0 2.0
   56    64    68    70   0.20000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    68   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    66   0.15000  1.0 3.0
   58    56    64    68   0.15000  1.0 3.0
   64    68    46    33   0.56750  1.0 1.0
   64    68    46    33  -0.07550 -1.0 2.0
   64    68    46    33   0.20000  1.0 3.0
   64    68    46    43   0.56750  1.0 1.0
   64    68    46    43  -0.07550 -1.0 2.0
   64    68    46    43   0.20000  1.0 3.0
   64    68    46    53   0.86500  1.0 1.0
   64    68    46    53  -0.17500 -1.0 2.0
   64    68    46    53   0.20800  1.0 3.0
   64    68    70    71   0.15000  1.0 3.0
   64    68    70    72   0.15000  1.0 3.0
   64    68    70    73   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    46   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    46   0.15000  1.0 3.0
   66    64    68    70   0.15000  1.0 3.0
   68    46    53    54  -0.11600  1.0 1.0
   68    46    53    54  -0.09450 -1.0 2.0
   68    46    53    54   0.21250  1.0 3.0
   69    68    46    33   0.15000  1.0 3.0
   69    68    46    43   0.15000  1.0 3.0
   69    68    46    53   0.23400  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33    38    40   0.15000  1.0 3.0
   46    33   -38    41  -0.95700  1.0 1.0
   46    33   -38    41  -0.18200 -1.0 2.0
   46    33   -38    41   0.29450  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    51   0.56750  1.0 1.0
   46    43    44    51  -0.07550 -1.0 2.0
   46    43    44    51   0.20000  1.0 3.0
   46    43    44    67   0.62750  1.0 1.0
   46    43    44    67  -0.30950 -1.0 2.0
   46    43    44    67   0.27300  1.0 3.0
   46    43    47    48   0.15000  1.0 3.0
   46    43    47    49   0.15000  1.0 3.0
   46    43    47    50   0.15000  1.0 3.0
   46    68    70    71   0.15000  1.0 3.0
   46    68    70    72   0.15000  1.0 3.0
   46    68    70    73   0.15000  1.0 3.0
   70    68    46    33   0.56750  1.0 1.0
   70    68    46    33  -0.07550 -1.0 2.0
   70    68    46    33   0.20000  1.0 3.0
   70    68    46    43   0.56750  1.0 1.0
   70    68    46    43  -0.07550 -1.0 2.0
   70    68    46    43   0.20000  1.0 3.0
   70    68    46    53   0.86500  1.0 1.0
   70    68    46    53  -0.17500 -1.0 2.0
   70    68    46    53   0.20800  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    51   0.56750  1.0 1.0
   47    43    44    51  -0.07550 -1.0 2.0
   47    43    44    51   0.20000  1.0 3.0
   47    43    44    67   0.62750  1.0 1.0
   47    43    44    67  -0.30950 -1.0 2.0
   47    43    44    67   0.27300  1.0 3.0
   47    43    46    33   0.56750  1.0 1.0
   47    43    46    33  -0.07550 -1.0 2.0
   47    43    46    33   0.20000  1.0 3.0
   47    43    46    68   0.56750  1.0 1.0
   47    43    46    68  -0.07550 -1.0 2.0
   47    43    46    68   0.20000  1.0 3.0
   47    43    46    53   0.86500  1.0 1.0
   47    43    46    53  -0.17500 -1.0 2.0
   47    43    46    53   0.20800  1.0 3.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   51    59    55    61   1.10000 -1.0 2.0
   55    67    59    60  10.50000 -1.0 2.0
   62    63    61    55   1.10000 -1.0 2.0
END
