* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    234     434
    1     0 S   NP   _N1_     1    28.81259    94.65406   -20.29445
    2     1 S   H    _HN1     2     1.02778    84.72969   -66.57334
    3     1 S   H    _H1_     3     1.02967    95.91946    41.35370
    4     1 S   H    _H2_     4     1.02835    31.11695   154.80777
    5     1 S   CT   _CA1     5     1.50117   140.74611   174.20116
    6     5 S   HC   _HA1     6     1.09573   105.26746    48.60693
    7     5 S   CO3  _C1_     7     1.53831   112.38265   -71.62517
    8     7 S   O2Z  _O11     8     1.26344   115.03781   -43.21051
    9     7 S   O2Z  _O12     9     1.26245   114.92166   136.04868
   10     5 S   CT   _CB1    10     1.53092   107.40263   166.52526
   11    10 S   HC   HB11    11     1.09815   109.38109   -50.76425
   12    10 S   HC   HB12    12     1.09827   110.34707    65.74742
   13    10 S   CT   _CG1    13     1.53008   112.71732  -171.97309
   14    13 S   HC   HG11    14     1.09573   110.25344   -60.30480
   15    13 S   HC   HG12    15     1.09618   110.24789    58.81765
   16    13 S   C    _CD1    16     1.51817   112.06454   178.89997
   17    16 S   O    _OE1    17     1.22722   123.09680   -16.80063
   18    16 S   N    _N2_    18     1.38557   111.72944   164.06129
   19    18 S   H    _HN2    19     1.01577   119.08719     1.63984
   20    18 S   CT1  _CA2    20     1.46287   123.50366  -177.70203
   21    20 S   HC   _HA2    21     1.09729   109.43332   -13.87708
   22    20 S   C    _C2_    22     1.53408   108.14050  -129.57776
   23    22 S   O    _O2_    23     1.23002   122.36614  -144.96679
   24    20 S   CT   _CB2    32     1.53401   111.12778   108.31112
   25    24 S   HC   HB21    33     1.09520   109.65773    54.13542
   26    24 S   HC   HB22    34     1.09505   110.78211   172.64806
   27    22 S   N    _N3_    24     1.38555   113.28343    42.36189
   28    27 S   H    _HN3    25     1.01529   118.87949    -0.50241
   29    24 S   S    _SG2    35     1.82826   111.58463   -68.17848
   30    27 S   CT   _CA3    26     1.45443   123.43505   175.12822
   31    30 S   HC   HA31    27     1.09524   109.21455    24.84390
   32    30 S   HC   HA32    28     1.09494   107.12787   141.84683
   33    29 S   CT   _C12    36     1.87131    99.85777   151.27500
   34    33 S   HC   _H6_    37     1.09926   104.53019    32.88009
   35    30 S   CO3  _C3_    29     1.52926   113.13057   -98.61587
   36    35 S   O2Z  _O31    30     1.26400   115.41187   -44.24638
   37    35 S   O2Z  _O32    31     1.26355   114.97670   136.68922
   38    33 S   CT   _C13    38     1.54500   108.32963   -81.93952
   39    38 S   HC   _H15    39     1.09561   108.35471   160.69106
   40    38 S   HC   _H16    40     1.09737   110.09559    46.48182
   41    38 S   CT   _C14    41     1.53934   114.92433   -76.97581
   42    41 S   HC   _H7_    42     1.09738   108.32894  -174.98362
   43    41 S   CT   _C5_    43     1.55356   113.08613   -53.77277
   44    41 S   OH   _O33    73     1.42636   110.00521    69.91665
   45    44 S   HO   _H17    74     0.97129   107.66188    51.61083
   46    43 S   CT   _C6_    44     1.57080   109.94392   170.73764
   47    46 S   HC   _H11    45     1.09730   110.27801    62.06709
   48    46 S   HC   _H12    46     1.09761   109.88079   -54.43156
   49    43 S   CT   _C10    58     1.59158   109.81330    51.30170
   50    49 S   HC   _H5_    59     1.10410   105.51714    63.86010
   51    43 S   CT   _C4_    69     1.55337   107.51100   -74.21253
   52    51 S   HC   _H8_    70     1.08887   113.48248    47.37481
   53    51 S   HC   _H9_    71     1.09764   110.20227   -70.16251
   54    51 S   HC   _H10    72     1.09167   113.43517   170.52906
   55    46 S   CT   _C7_    47     1.53732   113.71487  -174.94065
   56    55 S   HC   _H13    48     1.09637   109.29168   175.83468
   57    55 S   HC   _H14    49     1.09579   110.76338   -66.96128
   58    33 S   CT   _C11    60     1.57845   115.43847   151.35392
   59    58 S   OM   _O34    61     1.32726   108.65231   -44.15869
   60    55 S   CT   _C8_    50     1.51766   108.66994    55.51699
   61    60 S   HC   _H3_    51     1.10101   108.32449    61.84784
   62    58 S   CT   _C15    62     1.54962   109.56179  -157.49354
   63    62 S   HC   _H18    63     1.10033   111.78171    65.37552
   64    62 S   HC   _H19    64     1.08911   112.88936   -52.81430
   65    62 S   HC   _H20    65     1.09690   112.47896  -174.82490
   66    60 S   CM   _C17    52     1.48289   121.94762  -174.57083
   67    66 S   CO4  _C16    53     1.48687   105.96485   154.83609
   68    67 S   O    _O36    54     1.21718   127.06529   165.38485
   69    66 S   CM   _C18    66     1.33378   130.74738   -23.47843
   70    69 S   HC   _H21    67     1.08452   121.01487    -1.10376
   71    69 S   HC   _H22    68     1.08505   121.45364   179.02341
   72    67 S   OS   _O35    55     1.37277   106.57404   -13.00847
   73    60 S   CT   _C9_    56     1.52042   111.45435   -59.04867
   74    73 S   HC   _H4_    57     1.09711   111.81856   -57.76573
  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
  17   8   2   1   1  13   6   5  16   6  21   4   1  16   7   6
  19   8   6   2   1   1  10   5   4   9   5  10   6   4   2   1
   1   8   7   3   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    49    58    59    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    73    49    50    58    59    62    63    64    65    44  
   38    39    40    41    49    58    59    62  
   36    37  
   37  
    0  
   39    40    41    42    43    46    49    58    59    62    51    44    45  
   40    41    42    43    58    44  
   41    42    43    58    44  
   42    43    46    47    48    55    73    49    50    58    51    52    53    54    44    45  
   43    46    49    51    44    45  
   46    47    48    55    56    57    60    72    73    74    49    50    58    59    62    51    52    53    54    44    45  
   45    46    49    51  
    0  
   47    48    55    56    57    60    61    66    73    49    50    58    51    52    53    54  
   48    55    56    57    60    49    51  
   55    56    57    60    49    51  
   50    58    59    62    63    64    65    51    52    53    54    55    60    61    66    67    72    73    74  
   58    59    62    51    60    72    73    74  
   52    53    54    55    58    73  
   53    54  
   54  
    0  
   56    57    60    61    66    67    72    73    74    69  
   57    60    61    66    73  
   60    61    66    73  
   59    62    63    64    65    60    72    73    74  
   62    63    64    65    73  
   61    66    67    68    72    73    74    69    70    71  
   66    67    72    73    74    69  
   63    64    65    73  
   64    65  
   65  
    0  
   67    68    72    73    74    69    70    71  
   68    72    73    74    69    70    71  
   72    73    69  
   70    71    72    73  
   71  
    0  
   73    74  
   74  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   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    58   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    44   320.000  1.410
   43    46   268.000  1.529
   43    49   268.000  1.529
   43    51   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    66   317.000  1.510
   60    73   268.000  1.529
   66    67   320.000  1.462
   66    69   549.000  1.340
   67    68   570.000  1.229
   67    72   214.000  1.327
   72    73   320.000  1.410
   73    74   340.000  1.090
   73    49   268.000  1.529
   49    50   340.000  1.090
   49    58   268.000  1.529
   58    59   570.000  1.307
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   69    70   340.000  1.080
   69    71   340.000  1.080
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   44    45   553.000  0.945
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    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    58    49    58.35000  112.70000
   33    58    59    50.00000  109.50000
   33    58    62    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    44    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    49    58.35000  112.70000
   41    43    51    58.35000  112.70000
   41    44    45    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    55    58.35000  112.70000
   43    49    73    58.35000  112.70000
   43    49    50    37.50000  110.70000
   43    49    58    58.35000  112.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   46    55    56    37.50000  110.70000
   46    55    57    37.50000  110.70000
   46    55    60    58.35000  112.70000
   48    46    47    33.00000  107.80000
   55    46    47    37.50000  110.70000
   55    46    48    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    66    70.00000  112.02700
   55    60    73    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    66    67    65.00000  116.34900
   60    66    69    70.00000  124.00000
   60    73    72    50.00000  109.50000
   60    73    74    37.50000  110.70000
   60    73    49    58.35000  112.70000
   66    60    61    35.00000  109.50000
   66    67    68    80.00000  123.72100
   66    67    72    90.00000  111.29400
   66    69    70    35.00000  120.00000
   66    69    71    35.00000  120.00000
   67    72    73    83.00000  116.90000
   72    67    68    83.00000  123.40000
   72    73    74    35.00000  109.50000
   72    73    49    50.00000  109.50000
   73    60    61    37.50000  110.70000
   73    60    66    70.00000  112.02700
   73    49    50    37.50000  110.70000
   73    49    58    58.35000  112.70000
   49    43    46    58.35000  112.70000
   49    73    74    37.50000  110.70000
   49    58    59    50.00000  109.50000
   49    58    62    58.35000  112.70000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    49    50    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   62    58    59    50.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   69    66    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   51    43    46    58.35000  112.70000
   51    43    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   44    41    42    35.00000  109.50000
   44    41    43    50.00000  109.50000
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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    58    49   0.44750  1.0 1.0
   29    33    58    49  -0.17800 -1.0 2.0
   29    33    58    49   0.20200  1.0 3.0
   29    33    58    59   0.56750  1.0 1.0
   29    33    58    59  -0.07550 -1.0 2.0
   29    33    58    59   0.20000  1.0 3.0
   29    33    58    62   0.44750  1.0 1.0
   29    33    58    62  -0.17800 -1.0 2.0
   29    33    58    62   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    44   0.86500  1.0 1.0
   33    38    41    44  -0.17500 -1.0 2.0
   33    38    41    44   0.20800  1.0 3.0
   33    58    62    63   0.15000  1.0 3.0
   33    58    62    64   0.15000  1.0 3.0
   33    58    62    65   0.15000  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   0.15000  1.0 3.0
   34    33    58    49   0.15000  1.0 3.0
   34    33    58    59   0.23400  1.0 3.0
   34    33    58    62   0.15000  1.0 3.0
   38    33    58    49   0.56750  1.0 1.0
   38    33    58    49  -0.07550 -1.0 2.0
   38    33    58    49   0.20000  1.0 3.0
   38    33    58    59   0.62750  1.0 1.0
   38    33    58    59  -0.30950 -1.0 2.0
   38    33    58    59   0.27300  1.0 3.0
   38    33    58    62   0.56750  1.0 1.0
   38    33    58    62  -0.07550 -1.0 2.0
   38    33    58    62   0.20000  1.0 3.0
   38    41    43    46   0.56750  1.0 1.0
   38    41    43    46  -0.07550 -1.0 2.0
   38    41    43    46   0.20000  1.0 3.0
   38    41   -43    49   0.56750  1.0 1.0
   38    41   -43    49  -0.07550 -1.0 2.0
   38    41   -43    49   0.20000  1.0 3.0
   38    41    43    51   0.56750  1.0 1.0
   38    41    43    51  -0.07550 -1.0 2.0
   38    41    43    51   0.20000  1.0 3.0
   38    41    44    45  -0.11600  1.0 1.0
   38    41    44    45  -0.09450 -1.0 2.0
   38    41    44    45   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.23400  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    48   0.15000  1.0 3.0
   41    43    46    55   0.56750  1.0 1.0
   41    43    46    55  -0.07550 -1.0 2.0
   41    43    46    55   0.20000  1.0 3.0
   41    43    49    73   0.56750  1.0 1.0
   41    43    49    73  -0.07550 -1.0 2.0
   41    43    49    73   0.20000  1.0 3.0
   41    43    49    50   0.15000  1.0 3.0
   41    43    49    58   0.56750  1.0 1.0
   41    43    49    58  -0.07550 -1.0 2.0
   41    43    49    58   0.20000  1.0 3.0
   41    43    51    52   0.15000  1.0 3.0
   41    43    51    53   0.15000  1.0 3.0
   41    43    51    54   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    49   0.15000  1.0 3.0
   42    41    43    51   0.15000  1.0 3.0
   42    41    44    45   0.19450  1.0 3.0
   43    41    44    45  -0.11600  1.0 1.0
   43    41    44    45  -0.09450 -1.0 2.0
   43    41    44    45   0.21250  1.0 3.0
   43    46    55    56   0.15000  1.0 3.0
   43    46    55    57   0.15000  1.0 3.0
   43    46    55    60   0.56750  1.0 1.0
   43    46    55    60  -0.07550 -1.0 2.0
   43    46    55    60   0.20000  1.0 3.0
   43    49   -58    33   0.56750  1.0 1.0
   43    49   -58    33  -0.07550 -1.0 2.0
   43    49   -58    33   0.20000  1.0 3.0
   43    49    58    59   0.62750  1.0 1.0
   43    49    58    59  -0.30950 -1.0 2.0
   43    49    58    59   0.27300  1.0 3.0
   43    49    58    62   0.56750  1.0 1.0
   43    49    58    62  -0.07550 -1.0 2.0
   43    49    58    62   0.20000  1.0 3.0
   46    43    49    73   0.56750  1.0 1.0
   46    43    49    73  -0.07550 -1.0 2.0
   46    43    49    73   0.20000  1.0 3.0
   46    43    49    50   0.15000  1.0 3.0
   46    43    49    58   0.56750  1.0 1.0
   46    43    49    58  -0.07550 -1.0 2.0
   46    43    49    58   0.20000  1.0 3.0
   46    43    51    52   0.15000  1.0 3.0
   46    43    51    53   0.15000  1.0 3.0
   46    43    51    54   0.15000  1.0 3.0
   46    55    60    61   0.15000  1.0 3.0
   46    55    60    66   0.34400  1.0 1.0
   46    55    60    66   0.09450 -1.0 2.0
   46    55    60    66   0.11100  1.0 3.0
   46    55   -60    73   0.56750  1.0 1.0
   46    55   -60    73  -0.07550 -1.0 2.0
   46    55   -60    73   0.20000  1.0 3.0
   47    46    55    56   0.15000  1.0 3.0
   47    46    55    57   0.15000  1.0 3.0
   47    46    55    60   0.15000  1.0 3.0
   48    46    55    56   0.15000  1.0 3.0
   48    46    55    57   0.15000  1.0 3.0
   48    46    55    60   0.15000  1.0 3.0
   55    60    66    67   0.09700  1.0 1.0
   55    60    66    67   0.15600 -1.0 2.0
   55    60    66    67  -0.50800  1.0 3.0
   55    60    66    69   0.09850  1.0 1.0
   55    60    66    69   0.15250 -1.0 2.0
   55    60    66    69  -0.50650  1.0 3.0
   55    60    73    72   0.62750  1.0 1.0
   55    60    73    72  -0.30950 -1.0 2.0
   55    60    73    72   0.27300  1.0 3.0
   55    60    73    74   0.15000  1.0 3.0
   55    60    73    49   0.56750  1.0 1.0
   55    60    73    49  -0.07550 -1.0 2.0
   55    60    73    49   0.20000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    66   0.15000  1.0 3.0
   56    55    60    73   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    66   0.15000  1.0 3.0
   57    55    60    73   0.15000  1.0 3.0
   60    66    67    68  -0.64400  1.0 1.0
   60    66    67    68   0.26850 -1.0 2.0
   60    66   -67    72  -0.15000  1.0 1.0
   60    66   -67    72   0.89550 -1.0 2.0
   60    66   -67    72  -0.06900  1.0 3.0
   60    66    69    70   7.00000 -1.0 2.0
   60    66    69    71   7.00000 -1.0 2.0
   60    73   -49    43   0.56750  1.0 1.0
   60    73   -49    43  -0.07550 -1.0 2.0
   60    73   -49    43   0.20000  1.0 3.0
   60    73    49    50   0.15000  1.0 3.0
   60    73    49    58   0.56750  1.0 1.0
   60    73    49    58  -0.07550 -1.0 2.0
   60    73    49    58   0.20000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    69   0.00000  1.0 1.0
   61    60    73    72   0.23400  1.0 3.0
   61    60    73    74   0.15000  1.0 3.0
   61    60    73    49   0.15000  1.0 3.0
   66    60   -73    72   0.61850  1.0 1.0
   66    60   -73    72  -0.22750 -1.0 2.0
   66    60   -73    72   0.15300  1.0 3.0
   66    60    73    74   0.15000  1.0 3.0
   66    60    73    49   0.34400  1.0 1.0
   66    60    73    49   0.09450 -1.0 2.0
   66    60    73    49   0.11100  1.0 3.0
   66    67   -72    73   2.00000 -1.0 2.0
   67    66    69    70   7.00000 -1.0 2.0
   67    66    69    71   7.00000 -1.0 2.0
   67    72   -73    60  -0.25900  1.0 1.0
   67    72   -73    60  -0.47000 -1.0 2.0
   67    72   -73    60   0.11750  1.0 3.0
   67    72    73    74   0.08050  1.0 3.0
   67    72    73    49  -0.25900  1.0 1.0
   67    72    73    49  -0.47000 -1.0 2.0
   67    72    73    49   0.11750  1.0 3.0
   68    67    72    73   3.00000 -1.0 2.0
   72    73    49    43   0.62750  1.0 1.0
   72    73    49    43  -0.30950 -1.0 2.0
   72    73    49    43   0.27300  1.0 3.0
   72    73    49    50   0.23400  1.0 3.0
   72    73    49    58   0.62750  1.0 1.0
   72    73    49    58  -0.30950 -1.0 2.0
   72    73    49    58   0.27300  1.0 3.0
   73    60   -66    67   0.09700  1.0 1.0
   73    60   -66    67   0.15600 -1.0 2.0
   73    60   -66    67  -0.50800  1.0 3.0
   73    60    66    69   0.09850  1.0 1.0
   73    60    66    69   0.15250 -1.0 2.0
   73    60    66    69  -0.50650  1.0 3.0
   73    49    58    33   0.56750  1.0 1.0
   73    49    58    33  -0.07550 -1.0 2.0
   73    49    58    33   0.20000  1.0 3.0
   73    49    58    59   0.62750  1.0 1.0
   73    49    58    59  -0.30950 -1.0 2.0
   73    49    58    59   0.27300  1.0 3.0
   73    49    58    62   0.56750  1.0 1.0
   73    49    58    62  -0.07550 -1.0 2.0
   73    49    58    62   0.20000  1.0 3.0
   74    73    49    43   0.15000  1.0 3.0
   74    73    49    50   0.15000  1.0 3.0
   74    73    49    58   0.15000  1.0 3.0
   49    43    46    47   0.15000  1.0 3.0
   49    43    46    48   0.15000  1.0 3.0
   49    43   -46    55   0.56750  1.0 1.0
   49    43   -46    55  -0.07550 -1.0 2.0
   49    43   -46    55   0.20000  1.0 3.0
   49    43    51    52   0.15000  1.0 3.0
   49    43    51    53   0.15000  1.0 3.0
   49    43    51    54   0.15000  1.0 3.0
   49    58    62    63   0.15000  1.0 3.0
   49    58    62    64   0.15000  1.0 3.0
   49    58    62    65   0.15000  1.0 3.0
   50    49    58    33   0.15000  1.0 3.0
   50    49    58    59   0.23400  1.0 3.0
   50    49    58    62   0.15000  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.15000  1.0 3.0
   58    33   -38    41   0.56750  1.0 1.0
   58    33   -38    41  -0.07550 -1.0 2.0
   58    33   -38    41   0.20000  1.0 3.0
   59    58    62    63   0.23400  1.0 3.0
   59    58    62    64   0.23400  1.0 3.0
   59    58    62    65   0.23400  1.0 3.0
   69    66    67    68   1.00000 -1.0 2.0
   69    66    67    72  -0.56150  1.0 1.0
   69    66    67    72   2.19150 -1.0 2.0
   51    43    46    47   0.15000  1.0 3.0
   51    43    46    48   0.15000  1.0 3.0
   51    43    46    55   0.56750  1.0 1.0
   51    43    46    55  -0.07550 -1.0 2.0
   51    43    46    55   0.20000  1.0 3.0
   51    43    49    73   0.56750  1.0 1.0
   51    43    49    73  -0.07550 -1.0 2.0
   51    43    49    73   0.20000  1.0 3.0
   51    43    49    50   0.15000  1.0 3.0
   51    43    49    58   0.56750  1.0 1.0
   51    43    49    58  -0.07550 -1.0 2.0
   51    43    49    58   0.20000  1.0 3.0
   44    41    43    46   0.86500  1.0 1.0
   44    41    43    46  -0.17500 -1.0 2.0
   44    41    43    46   0.20800  1.0 3.0
   44    41    43    49   0.86500  1.0 1.0
   44    41    43    49  -0.17500 -1.0 2.0
   44    41    43    49   0.20800  1.0 3.0
   44    41    43    51   0.86500  1.0 1.0
   44    41    43    51  -0.17500 -1.0 2.0
   44    41    43    51   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
   36    30    35    37  10.50000 -1.0 2.0
   60    67    66    69   1.10000 -1.0 2.0
   66    72    67    68  10.50000 -1.0 2.0
   70    71    69    66   1.10000 -1.0 2.0
END
