* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    142    221     423
    1     0 S   NP   _N1_     1    28.49794    95.18854   -22.76268
    2     1 S   H    _HN1     2     1.02962    81.65886    21.96301
    3     1 S   H    _H1_     3     1.02836    31.33526   166.06099
    4     1 S   H    _H2_     4     1.02781    99.70097   -85.34267
    5     1 S   CT   _CA1     5     1.50128   138.81052   133.48979
    6     5 S   HC   _HA1     6     1.09579   105.21382    76.56347
    7     5 S   CO3  _C1_     7     1.53778   112.41885   -43.60723
    8     7 S   O2Z  _O11     8     1.26362   114.99763   -42.94590
    9     7 S   O2Z  _O12     9     1.26242   114.91955   136.19674
   10     5 S   CT   _CB1    10     1.53094   107.42295  -165.54141
   11    10 S   HC   HB11    11     1.09828   109.28137   -50.81372
   12    10 S   HC   HB12    12     1.09819   110.42780    65.72135
   13    10 S   CT   _CG1    13     1.53020   112.70871  -171.92221
   14    13 S   HC   HG11    14     1.09595   110.46236   -64.87213
   15    13 S   HC   HG12    15     1.09658   109.95167    54.35505
   16    13 S   C    _CD1    16     1.51829   112.32239   174.67182
   17    16 S   O    _OE1    17     1.22722   123.25972    -0.63087
   18    16 S   N    _N2_    18     1.38642   111.66442   179.65508
   19    18 S   H    _HN2    19     1.01581   118.99095     1.44021
   20    18 S   CT1  _CA2    20     1.46144   123.38106   179.14225
   21    20 S   HC   _HA2    21     1.09733   109.46900    -2.53682
   22    20 S   C    _C2_    22     1.53485   108.33600  -118.18632
   23    22 S   O    _O2_    23     1.23042   122.22840  -143.38257
   24    20 S   CT   _CB2    32     1.53307   111.69697   119.53382
   25    24 S   HC   HB21    33     1.09601   110.12091    56.17465
   26    24 S   HC   HB22    34     1.09415   109.77653   174.85894
   27    22 S   N    _N3_    24     1.38495   113.47982    43.81285
   28    27 S   H    _HN3    25     1.01496   119.03247    -0.27052
   29    24 S   S    _SG2    35     1.82870   111.98723   -64.66093
   30    27 S   CT   _CA3    26     1.45439   123.31519   175.18517
   31    30 S   HC   HA31    27     1.09530   109.15499    26.76205
   32    30 S   HC   HA32    28     1.09495   107.16781   143.74899
   33    29 S   CT   _C14    36     1.84761    99.25717  -179.59266
   34    33 S   HC   _H12    37     1.09422   105.14298   -40.99230
   35    30 S   CO3  _C3_    29     1.52917   113.06033   -96.64449
   36    35 S   O2Z  _O31    30     1.26405   115.36092   -46.10965
   37    35 S   O2Z  _O32    31     1.26350   115.00797   134.77821
   38    33 S   CT   _C10    38     1.54652   110.98150    78.50504
   39    38 S   HC   _H8_    39     1.09617   110.92054   -39.81941
   40    38 S   CT   _C11    40     1.53594   112.68746    81.62222
   41    40 S   HC   _H9_    41     1.09674   110.64107   167.81163
   42    38 S   OS   _O35    56     1.43667   109.33578  -159.55003
   43    40 S   CO   _C12    42     1.53004   111.24607    46.87826
   44    43 S   HC   _H10    43     1.09503   110.24781    66.07642
   45    40 S   OH   _O39    54     1.42893   110.07205   -74.43956
   46    45 S   HO   _H19    55     0.97215   107.69151   -59.41927
   47    42 S   CO   _C9_    57     1.43284   113.67029    86.37945
   48    47 S   HC   _H7_    58     1.09565   108.38634   -47.78471
   49    43 S   OS   _O36    44     1.42413   110.60773   -55.96781
   50    43 S   OH   _O38    52     1.42579   108.94180  -177.07859
   51    50 S   HO   _H18    53     0.97166   106.70873  -160.66191
   52    47 S   CT   _C8_    59     1.54499   108.87353  -165.28262
   53    52 S   HC   _H6_    60     1.09619   108.34943    73.60848
   54    33 S   CT   _C13    45     1.54879   109.30396  -156.23861
   55    54 S   HC   _H11    46     1.09832   108.35155    37.62182
   56    52 S   CT   _C7_    61     1.53479   110.13872  -164.39085
   57    56 S   HC   _H5_    62     1.09426   112.33529  -176.49971
   58    52 S   OH   _O40    74     1.42780   110.42431   -43.63519
   59    58 S   HO   _H20    75     0.97252   107.54568   175.63893
   60    54 S   CT   _C15    47     1.53735   113.46543   154.22798
   61    60 S   HC   _H15    48     1.09571   109.84033   177.92227
   62    60 S   HC   _H16    49     1.09271   112.51197    58.56944
   63    56 S   CT   _C6_    63     1.52379   108.99424    57.91088
   64    63 S   HC   _H4_    64     1.09405   113.85164    48.47979
   65    60 S   OH   _O37    50     1.42084   110.20733   -62.39456
   66    65 S   HO   _H17    51     0.97257   107.08489  -177.60698
   67    63 S   CT   _C5_    65     1.51116    98.06826   -71.94908
   68    67 S   HC   _H3_    66     1.09353   113.92202  -165.05926
   69    63 S   OH   _O41    72     1.42024   111.19433   172.01200
   70    69 S   HO   _H21    73     0.97249   107.49641   -64.35633
   71    67 S   CT   _C4_    67     1.52692   101.56480   -44.94062
   72    71 S   HC   _H13    68     1.09359   113.82765   151.89911
   73    71 S   HC   _H14    69     1.09479   111.70447   -83.92489
   74    47 S   OS   _O34    71     1.43862   111.64374    70.41843
   75    56 S   OS   _O33    70     1.44695   108.14862   -55.57326
  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  17   7  11   7  11   9   5   3   1  13   6
   8   2   1  12   7   6   4  14   7   4   1   4   3   2  10   7
   1   1   8   6   4   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    54    55    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    54    55    60    61    62    65    45    42    47  
   38    39    40    49    54    55    60    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    54    55    60    50    45    46    42    47    48    52    74  
   40    41    43    54    45    42    47  
   41    43    44    49    54    50    51    45    46    42    47  
   43    44    49    50    45    46    42  
   47    48    52    53    56    67    74    58    43    45    54  
   44    49    54    55    60    50    51    45    46  
   49    54    50    51    45  
   46    49    50  
    0  
   48    52    53    56    57    63    67    68    71    75    74    58    59  
   52    53    56    67    74    58  
   54    55    60    61    62    65    50    51  
   51    54  
    0  
   53    56    57    63    64    67    71    75    74    69    58    59  
   56    57    63    75    74    58    59  
   55    60    61    62    65    66  
   60    61    62    65  
   57    63    64    67    68    71    72    73    75    74    69    70    58    59  
   63    64    67    71    75    69    58  
   59    63    74    75  
    0  
   61    62    65    66  
   62    65    66  
   65    66  
   64    67    68    71    72    73    75    74    69    70  
   67    68    71    75    74    69    70  
   66  
    0  
   68    71    72    73    75    74    69    70  
   71    72    73    75    74    69  
   70    71    74    75  
    0  
   72    73    75    74  
   73    75    74  
   75    74  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    54   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   250.000  1.527
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   320.000  1.380
   43    50   380.000  1.407
   49    54   320.000  1.410
   54    55   340.000  1.090
   54    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   320.000  1.410
   65    66   553.000  0.945
   50    51   553.000  0.945
   45    46   553.000  0.945
   42    47   320.000  1.380
   47    48   340.000  1.090
   47    52   250.000  1.527
   47    74   320.000  1.380
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    58   320.000  1.410
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    75   320.000  1.410
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    69   320.000  1.410
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   320.000  1.410
   69    70   553.000  0.945
   58    59   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    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    54    49    50.00000  109.50000
   33    54    55    37.50000  110.70000
   33    54    60    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    75.00000  109.43000
   38    40    45    50.00000  109.50000
   38    42    47    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    43    44    45.00000  112.01100
   40    43    49    90.00000  108.56700
   40    43    50    90.00000  110.19100
   40    45    46    55.00000  108.50000
   43    40    41    45.00000  108.72000
   43    49    54    60.00000  109.50000
   43    50    51    70.00000  107.92000
   49    43    44    35.00000  109.50000
   49    54    55    35.00000  109.50000
   49    54    60    50.00000  109.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    65    50.00000  109.50000
   60    54    55    37.50000  110.70000
   60    65    66    55.00000  108.50000
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   50    43    44    60.00000  108.02500
   50    43    49   110.00000  112.08000
   45    40    41    35.00000  109.50000
   45    40    43    90.00000  111.58700
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    52    90.00000  108.56700
   42    47    74    92.60000  111.55000
   47    52    53    45.00000  108.72000
   47    52    56    75.00000  109.43000
   47    52    58    90.00000  111.58700
   47    74    67    60.00000  109.50000
   52    47    48    45.00000  112.01100
   52    56    57    37.50000  110.70000
   52    56    63    58.35000  112.70000
   52    56    75    50.00000  109.50000
   52    58    59    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    67    58.35000  112.70000
   56    63    69    50.00000  109.50000
   56    75    71    60.00000  109.50000
   63    56    57    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    74    50.00000  109.50000
   63    69    70    55.00000  108.50000
   67    63    64    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    75    50.00000  109.50000
   71    67    68    37.50000  110.70000
   73    71    72    33.00000  107.80000
   75    56    57    35.00000  109.50000
   75    56    63    50.00000  109.50000
   75    71    72    35.00000  109.50000
   75    71    73    35.00000  109.50000
   74    47    48    35.00000  109.50000
   74    47    52    90.00000  108.56700
   74    67    68    35.00000  109.50000
   74    67    71    50.00000  109.50000
   69    63    64    35.00000  109.50000
   69    63    67    50.00000  109.50000
   58    52    53    35.00000  109.50000
   58    52    56    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    54    49   0.56750  1.0 1.0
   29    33    54    49  -0.07550 -1.0 2.0
   29    33    54    49   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    60   0.44750  1.0 1.0
   29    33    54    60  -0.17800 -1.0 2.0
   29    33    54    60   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   3.97050  1.0 1.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47   0.06250  1.0 1.0
   33    38    42    47  -0.01100 -1.0 2.0
   33    38    42    47   0.28050  1.0 3.0
   33    54    60    61   0.15000  1.0 3.0
   33    54    60    62   0.15000  1.0 3.0
   33    54    60    65   0.86500  1.0 1.0
   33    54    60    65  -0.17500 -1.0 2.0
   33    54    60    65   0.20800  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    42   0.23400  1.0 3.0
   34    33    54    49   0.23400  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    60   0.15000  1.0 3.0
   38    33    54    49   0.62750  1.0 1.0
   38    33    54    49  -0.30950 -1.0 2.0
   38    33    54    49   0.27300  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    60   0.56750  1.0 1.0
   38    33    54    60  -0.07550 -1.0 2.0
   38    33    54    60   0.20000  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.62750  1.0 1.0
   38    40   -43    49  -0.30950 -1.0 2.0
   38    40   -43    49   0.27300  1.0 3.0
   38    40    43    50   0.86500  1.0 1.0
   38    40    43    50  -0.17500 -1.0 2.0
   38    40    43    50   0.20800  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.37050  1.0 3.0
   38    42    47    52   0.06250  1.0 1.0
   38    42    47    52  -0.01100 -1.0 2.0
   38    42    47    52   0.28050  1.0 3.0
   38    42    47    74  -0.53350  1.0 1.0
   38    42    47    74  -0.78350 -1.0 2.0
   38    42    47    74   0.33750  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    47   0.37050  1.0 3.0
   40    38    42    47   0.06250  1.0 1.0
   40    38    42    47  -0.01100 -1.0 2.0
   40    38    42    47   0.28050  1.0 3.0
   40    43    49    54   0.06250  1.0 1.0
   40    43    49    54  -0.01100 -1.0 2.0
   40    43    49    54   0.28050  1.0 3.0
   40    43    50    51  -0.11600  1.0 1.0
   40    43    50    51  -0.09450 -1.0 2.0
   40    43    50    51   0.21250  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.23400  1.0 3.0
   41    40    43    50   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    49   -54    33   0.06250  1.0 1.0
   43    49   -54    33  -0.01100 -1.0 2.0
   43    49   -54    33   0.28050  1.0 3.0
   43    49    54    55   0.37050  1.0 3.0
   43    49    54    60   0.06250  1.0 1.0
   43    49    54    60  -0.01100 -1.0 2.0
   43    49    54    60   0.28050  1.0 3.0
   44    43    49    54   0.37050  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   49    43    50    51  -0.50000  1.0 1.0
   49    43    50    51  -0.73950 -1.0 2.0
   49    43    50    51   0.17150  1.0 3.0
   49    54    60    61   0.23400  1.0 3.0
   49    54    60    62   0.23400  1.0 3.0
   49    54    60    65   3.69350  1.0 1.0
   49    54    60    65  -1.82950 -1.0 2.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.62750  1.0 1.0
   54    33    38    42  -0.30950 -1.0 2.0
   54    33    38    42   0.27300  1.0 3.0
   54    60    65    66  -0.11600  1.0 1.0
   54    60    65    66  -0.09450 -1.0 2.0
   54    60    65    66   0.21250  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    65   0.23400  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   62    60    65    66   0.19450  1.0 3.0
   50    43    49    54  -0.81800  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   3.69350  1.0 1.0
   45    40    43    49  -1.82950 -1.0 2.0
   45    40    43    50   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
   42    47    52    53   0.23400  1.0 3.0
   42    47    52    56   0.62750  1.0 1.0
   42    47    52    56  -0.30950 -1.0 2.0
   42    47    52    56   0.27300  1.0 3.0
   42    47    52    58   3.69350  1.0 1.0
   42    47    52    58  -1.82950 -1.0 2.0
   42    47    74    67  -0.53350  1.0 1.0
   42    47    74    67  -0.78350 -1.0 2.0
   42    47    74    67   0.33750  1.0 3.0
   47    52    56    57   0.15000  1.0 3.0
   47    52    56    63   3.97050  1.0 1.0
   47    52    56    75   0.62750  1.0 1.0
   47    52    56    75  -0.30950 -1.0 2.0
   47    52    56    75   0.27300  1.0 3.0
   47    52    58    59  -0.11600  1.0 1.0
   47    52    58    59  -0.09450 -1.0 2.0
   47    52    58    59   0.21250  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    56   0.15000  1.0 3.0
   48    47    52    58   0.23400  1.0 3.0
   48    47    74    67   0.37050  1.0 3.0
   52    47    74    67   0.06250  1.0 1.0
   52    47    74    67  -0.01100 -1.0 2.0
   52    47    74    67   0.28050  1.0 3.0
   52    56    63    64   0.15000  1.0 3.0
   52    56   -63    67   0.56750  1.0 1.0
   52    56   -63    67  -0.07550 -1.0 2.0
   52    56   -63    67   0.20000  1.0 3.0
   52    56    63    69   0.86500  1.0 1.0
   52    56    63    69  -0.17500 -1.0 2.0
   52    56    63    69   0.20800  1.0 3.0
   52    56    75    71   0.06250  1.0 1.0
   52    56    75    71  -0.01100 -1.0 2.0
   52    56    75    71   0.28050  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    63   0.15000  1.0 3.0
   53    52    56    75   0.23400  1.0 3.0
   53    52    58    59   0.19450  1.0 3.0
   56    52    58    59  -0.11600  1.0 1.0
   56    52    58    59  -0.09450 -1.0 2.0
   56    52    58    59   0.21250  1.0 3.0
   56    63    67    68   0.15000  1.0 3.0
   56    63   -67    71   0.56750  1.0 1.0
   56    63   -67    71  -0.07550 -1.0 2.0
   56    63   -67    71   0.20000  1.0 3.0
   56    63    67    74   0.62750  1.0 1.0
   56    63    67    74  -0.30950 -1.0 2.0
   56    63    67    74   0.27300  1.0 3.0
   56    63    69    70  -0.11600  1.0 1.0
   56    63    69    70  -0.09450 -1.0 2.0
   56    63    69    70   0.21250  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    67   0.15000  1.0 3.0
   57    56    63    69   0.23400  1.0 3.0
   57    56    75    71   0.37050  1.0 3.0
   63    56   -75    71   0.06250  1.0 1.0
   63    56   -75    71  -0.01100 -1.0 2.0
   63    56   -75    71   0.28050  1.0 3.0
   63    67    71    72   0.15000  1.0 3.0
   63    67    71    73   0.15000  1.0 3.0
   63    67   -71    75   0.62750  1.0 1.0
   63    67   -71    75  -0.30950 -1.0 2.0
   63    67   -71    75   0.27300  1.0 3.0
   63    67   -74    47   0.06250  1.0 1.0
   63    67   -74    47  -0.01100 -1.0 2.0
   63    67   -74    47   0.28050  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    71   0.15000  1.0 3.0
   64    63    67    74   0.23400  1.0 3.0
   64    63    69    70   0.19450  1.0 3.0
   67    63    69    70  -0.11600  1.0 1.0
   67    63    69    70  -0.09450 -1.0 2.0
   67    63    69    70   0.21250  1.0 3.0
   67    71   -75    56   0.06250  1.0 1.0
   67    71   -75    56  -0.01100 -1.0 2.0
   67    71   -75    56   0.28050  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    75   0.23400  1.0 3.0
   68    67    74    47   0.37050  1.0 3.0
   71    67    74    47   0.06250  1.0 1.0
   71    67    74    47  -0.01100 -1.0 2.0
   71    67    74    47   0.28050  1.0 3.0
   72    71    75    56   0.37050  1.0 3.0
   73    71    75    56   0.37050  1.0 3.0
   75    56    63    64   0.23400  1.0 3.0
   75    56   -63    67   0.62750  1.0 1.0
   75    56   -63    67  -0.30950 -1.0 2.0
   75    56   -63    67   0.27300  1.0 3.0
   75    56    63    69   3.69350  1.0 1.0
   75    56    63    69  -1.82950 -1.0 2.0
   74    47    52    53   0.23400  1.0 3.0
   74    47   -52    56   0.62750  1.0 1.0
   74    47   -52    56  -0.30950 -1.0 2.0
   74    47   -52    56   0.27300  1.0 3.0
   74    47    52    58   3.69350  1.0 1.0
   74    47    52    58  -1.82950 -1.0 2.0
   74    67    71    72   0.23400  1.0 3.0
   74    67    71    73   0.23400  1.0 3.0
   74    67    71    75   1.11900  1.0 1.0
   74    67    71    75  -1.16350 -1.0 2.0
   74    67    71    75  -0.34150  1.0 3.0
   69    63    67    68   0.23400  1.0 3.0
   69    63    67    71   0.86500  1.0 1.0
   69    63    67    71  -0.17500 -1.0 2.0
   69    63    67    71   0.20800  1.0 3.0
   69    63    67    74   3.69350  1.0 1.0
   69    63    67    74  -1.82950 -1.0 2.0
   58    52    56    57   0.23400  1.0 3.0
   58    52    56    63   0.86500  1.0 1.0
   58    52    56    63  -0.17500 -1.0 2.0
   58    52    56    63   0.20800  1.0 3.0
   58    52    56    75   3.69350  1.0 1.0
   58    52    56    75  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
