* LIGAND DATABASE FILE (OPLS2005)
*
001      71    75    128    217     380
    1     0 S   NP   _N1_     1    30.43883    93.92240   -28.28719
    2     1 S   H    _HN1     2     1.02949   132.96338   -58.88564
    3     1 S   H    _H1_     3     1.02828    29.23456   -26.37166
    4     1 S   H    _H2_     4     1.02788    84.73403  -169.18712
    5     1 S   CT   _CA1     5     1.50121   105.09009    79.21736
    6     5 S   HC   _HA1     6     1.09573   105.17566    29.01725
    7     5 S   CO3  _C1_     7     1.53796   112.51951   -91.18641
    8     7 S   O2Z  _O11     8     1.26375   115.00287   -40.75588
    9     7 S   O2Z  _O12     9     1.26244   114.95929   138.37152
   10     5 S   CT   _CB1    10     1.53083   107.41833   147.02620
   11    10 S   HC   HB11    11     1.09834   109.37320   -49.33405
   12    10 S   HC   HB12    12     1.09813   110.43905    67.28628
   13    10 S   CT   _CG1    13     1.52987   112.61288  -170.29836
   14    13 S   HC   HG11    14     1.09578   110.64683   -66.17147
   15    13 S   HC   HG12    15     1.09672   109.76092    53.05729
   16    13 S   C    _CD1    16     1.51800   112.23238   173.53195
   17    16 S   O    _OE1    17     1.22727   123.29267     8.02852
   18    16 S   N    _N2_    18     1.38656   111.66277  -172.04012
   19    18 S   H    _HN2    19     1.01577   118.90607     1.92722
   20    18 S   CT1  _CA2    20     1.46212   123.44200   177.50346
   21    20 S   HC   _HA2    21     1.09736   109.36594     4.77114
   22    20 S   C    _C2_    22     1.53592   108.69718  -110.74994
   23    22 S   O    _O2_    23     1.23065   122.26696  -148.09830
   24    20 S   CT   _CB2    32     1.53363   111.47023   126.80154
   25    24 S   HC   HB21    33     1.09533   109.85366    56.06773
   26    24 S   HC   HB22    34     1.09454   109.98934   175.04932
   27    22 S   N    _N3_    24     1.38320   113.77303    39.36822
   28    27 S   H    _HN3    25     1.01570   119.60988    -3.22847
   29    24 S   S    _SG2    35     1.82897   111.30587   -65.26485
   30    27 S   CT   _CA3    26     1.45290   123.23358   177.16759
   31    30 S   HC   HA31    27     1.09549   107.50617   -64.78692
   32    30 S   HC   HA32    28     1.09558   107.99577    51.66020
   33    29 S   CT   _C23    36     1.86050   100.19881   171.64802
   34    30 S   CO3  _C3_    29     1.52966   114.06260   173.66302
   35    34 S   O2Z  _O31    30     1.26379   116.06890    -0.59314
   36    34 S   O2Z  _O32    31     1.26426   114.41736   179.46551
   37    33 S   CO4  _C22    37     1.52995   108.81888    62.99951
   38    37 S   O    _O37    38     1.22975   122.21246  -102.67443
   39    33 S   CM   _C14    50     1.53095   111.23693   177.59092
   40    37 S   CM   _C17    39     1.50530   115.91723    76.67894
   41    39 S   CM   _C12    51     1.35776   118.41484   132.55829
   42    40 S   CM   _C18    40     1.34085   117.87984  -166.99346
   43    42 S   HC   _H5_    41     1.08431   123.26340    -3.89440
   44    41 S   CM   _C13    52     1.45997   119.86013     1.55154
   45    42 S   CO4  _C19    42     1.48338   120.15639   173.80631
   46    45 S   O    _O36    43     1.22619   121.07716   175.54521
   47    44 S   CM   _C8_    53     1.35401   124.12454  -164.16358
   48    44 S   OS   _O34    68     1.38430   112.78519    22.65854
   49    45 S   CM   _C20    44     1.48202   117.76471    -6.14717
   50    49 S   HC   _H6_    45     1.08401   117.38174  -173.95522
   51    47 S   CM   _C9_    54     1.46978   118.26155     1.83248
   52    33 S   OS   _O38    69     1.42448   107.09607   -60.56117
   53    49 S   CM   _C21    46     1.33910   120.93296     6.05042
   54    51 S   CM   _C4_    55     1.34128   121.89543   172.54847
   55    54 S   HC   _H3_    56     1.08471   123.26192  -179.93744
   56    51 S   CO4  _C10    64     1.48709   120.89100    -9.21635
   57    56 S   O    _O33    65     1.22075   125.19990   173.48449
   58    40 S   CM   _C16    47     1.47688   120.03475     8.38197
   59    54 S   CO4  _C5_    57     1.48298   120.22116     1.39170
   60    59 S   O    _O42    58     1.22593   121.12732  -177.32387
   61    41 S   CO4  _C11    66     1.48915   124.40583   174.70494
   62    61 S   O    _O40    67     1.21946   126.29515   -35.79460
   63    53 S   OH   _O35    70     1.38305   119.16504  -179.83687
   64    63 S   HO   _H7_    71     0.97526   107.99422  -177.61846
   65    58 S   CMA  _C15    48     1.36743   119.48797    12.59943
   66    65 S   OM   _O39    49     1.26389   132.02181  -171.54966
   67    59 S   CM   _C6_    59     1.48176   117.71439     3.73748
   68    67 S   HC   _H4_    60     1.08435   117.22804   176.02635
   69    47 S   CM   _C7_    61     1.47315   124.10748  -179.43872
   70    69 S   OH   _O41    62     1.38247   120.29718     6.62028
   71    70 S   HO   _H8_    63     0.97046   109.64914     1.48359
  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   9   5   4   3
  13   2   1   1  12   5  13  11  13   8   4  12   6   3  14   4
   6   3  11   1   5   9   4   5   2   4   5   3   2   1   2   1
   1   1   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    52    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    65    39    41    48    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    42    58    65    66    39    41    44    61    48    52  
   35    36  
   36  
    0  
   38    40    42    43    45    53    58    65    39    41    48    52  
   40    42    58    39    52  
   41    44    47    56    61    62    48    52    40    53    58    65    66  
   42    43    45    46    49    53    58    65    66    52    63  
   44    47    51    69    56    57    61    62    48    52    58    65    66  
   43    45    46    49    50    53    58    65  
   45    46    49    58  
   47    51    54    67    69    70    56    61    62    48    52    65  
   46    49    50    53    58    63  
   49    50    53  
   51    54    55    59    67    68    69    70    71    56    57    61    48    52  
   52    51    61    69  
   50    53    58    65    63    64  
   53    58    63  
   54    55    59    60    67    69    70    56    57    61    62  
   65  
   58    65    66    63    64  
   55    59    60    67    68    69    56    57    61  
   59    60    67    56  
   57    61    62    59    69  
   61    62  
   65    66    63    64  
   60    67    68    69    70  
   67    68    69  
   62    65  
    0  
   64    65  
    0  
   66  
    0  
   68    69    70    71  
   69    70  
   70    71  
   71  
    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   0.367500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.9000   0.1400  -0.085000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   70   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   317.000  1.510
   33    52   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    42   549.000  1.340
   40    58   380.000  1.444
   42    43   340.000  1.080
   42    45   320.000  1.462
   45    46   570.000  1.229
   45    49   320.000  1.462
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    58   380.000  1.444
   53    63   510.000  1.338
   58    65   465.000  1.376
   65    66   745.000  1.250
   65    39   465.000  1.376
   39    41   549.000  1.340
   41    44   380.000  1.444
   41    61   320.000  1.462
   44    47   549.000  1.340
   44    48   440.000  1.360
   47    51   380.000  1.444
   47    69   380.000  1.444
   51    54   549.000  1.340
   51    56   320.000  1.462
   54    55   340.000  1.080
   54    59   320.000  1.462
   59    60   570.000  1.229
   59    67   320.000  1.462
   67    68   340.000  1.080
   67    69   549.000  1.340
   69    70   510.000  1.338
   70    71   553.000  0.945
   56    57   570.000  1.229
   56    61   250.000  1.523
   61    62   570.000  1.229
   48    52   245.000  1.492
   63    64   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  112.20000
   29    33    52    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    39    65    70.00000  124.00000
   33    39    41    70.00000  124.00000
   33    52    48   125.00000  107.00000
   37    40    42    65.00000  118.96000
   37    40    58    65.00000  118.96000
   40    37    38    80.00000  123.72100
   40    42    43    35.00000  120.00000
   40    42    45    65.00000  118.96000
   40    58    53    70.00000  123.01800
   40    58    65    70.00000  117.34000
   42    45    46    80.00000  123.72100
   42    45    49    65.00000  118.65900
   45    42    43    40.00000  117.72500
   45    49    50    40.00000  117.72500
   45    49    53    65.00000  118.96000
   49    45    46    80.00000  123.72100
   49    53    58    70.00000  123.01800
   49    53    63    80.00000  121.38400
   53    49    50    35.00000  120.00000
   53    58    65    70.00000  117.34000
   53    63    64    70.00000  107.45700
   58    40    42    70.00000  123.01800
   58    65    66    65.00000  137.10300
   58    65    39    70.00000  123.01800
   65    39    41    70.00000  117.34000
   39    33    37    70.00000  109.06800
   39    65    66    65.00000  137.10300
   39    41    44    70.00000  123.01800
   39    41    61    65.00000  118.96000
   41    44    47    70.00000  123.01800
   41    44    48    80.00000  120.01400
   41    61    56    65.00000  116.00000
   41    61    62    80.00000  123.72100
   44    47    51    70.00000  123.01800
   44    47    69    70.00000  123.01800
   44    48    52   120.00000  108.00000
   47    51    54    70.00000  123.01800
   47    51    56    65.00000  118.96000
   47    69    67    70.00000  123.01800
   47    69    70    80.00000  121.38400
   51    54    55    35.00000  120.00000
   51    54    59    65.00000  118.96000
   51    56    57    80.00000  123.72100
   51    56    61    65.00000  116.00000
   54    59    60    80.00000  123.72100
   54    59    67    65.00000  118.65900
   59    54    55    40.00000  117.72500
   59    67    68    40.00000  117.72500
   59    67    69    65.00000  118.96000
   67    59    60    80.00000  123.72100
   67    69    70    80.00000  121.38400
   69    47    51    70.00000  123.01800
   69    67    68    35.00000  120.00000
   69    70    71    70.00000  107.45700
   56    51    54    65.00000  118.96000
   56    61    62    80.00000  119.30300
   61    41    44    65.00000  118.96000
   61    56    57    80.00000  119.30300
   48    44    47    80.00000  120.01400
   52    33    37    90.00000  108.74100
   52    33    39    85.00000  110.90400
   63    53    58    80.00000  121.38400
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    52   0.13850  1.0 1.0
   24    29    33    52  -1.34450 -1.0 2.0
   24    29    33    52   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    39    65   0.42700  1.0 1.0
   29    33    39    65  -0.70350 -1.0 2.0
   29    33    39    65  -0.43150  1.0 3.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   29    33    52    48   0.37500  1.0 3.0
   33    37    40    42  -0.33500  1.0 1.0
   33    37    40    42   1.06600 -1.0 2.0
   33    37    40    42  -0.14000  1.0 3.0
   33    37    40    58  -0.33500  1.0 1.0
   33    37    40    58   1.06600 -1.0 2.0
   33    37    40    58  -0.14000  1.0 3.0
   33    39    41    44   7.00000 -1.0 2.0
   33    39    41    61   7.00000 -1.0 2.0
   37    33    39    65  -0.51250  1.0 1.0
   37    33    39    65  -0.88800 -1.0 2.0
   37    33    39    65   0.08850  1.0 3.0
   37    33    39    41  -0.51250  1.0 1.0
   37    33    39    41  -0.88800 -1.0 2.0
   37    33    39    41   0.08850  1.0 3.0
   37    33    52    48   0.37500  1.0 3.0
   37    40    42    43   7.00000 -1.0 2.0
   37    40    42    45   7.00000 -1.0 2.0
   37    40    58    53  -0.18600  1.0 3.0
   37    40   -58    65  -0.18600  1.0 3.0
   38    37    40    42   1.00000 -1.0 2.0
   38    37    40    58   1.00000 -1.0 2.0
   40    42    45    46   1.00000 -1.0 2.0
   40    42    45    49  -1.18350  1.0 1.0
   40    42    45    49   1.45950 -1.0 2.0
   40    58    65    66   7.00000 -1.0 2.0
   40    58    65    39   7.00000 -1.0 2.0
   42    40    58    53   0.28850  1.0 1.0
   42    40    58    53   2.61350 -1.0 2.0
   42    40    58    53   0.78400  1.0 3.0
   42    40    58    65   0.28850  1.0 1.0
   42    40    58    65   2.61350 -1.0 2.0
   42    40    58    65   0.78400  1.0 3.0
   42    45    49    50   0.93700 -1.0 2.0
   42    45   -49    53  -1.18350  1.0 1.0
   42    45   -49    53   1.45950 -1.0 2.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    49   0.93700 -1.0 2.0
   45    49    53    58   7.00000 -1.0 2.0
   45    49    53    63   7.00000 -1.0 2.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    53   1.00000 -1.0 2.0
   49    53   -58    40   0.28850  1.0 1.0
   49    53   -58    40   2.61350 -1.0 2.0
   49    53   -58    40   0.78400  1.0 3.0
   49    53    58    65   0.28850  1.0 1.0
   49    53    58    65   2.61350 -1.0 2.0
   49    53    58    65   0.78400  1.0 3.0
   49    53    63    64  -0.66100  1.0 1.0
   49    53    63    64   1.20850 -1.0 2.0
   49    53    63    64  -0.36000  1.0 3.0
   50    49    53    58   7.00000 -1.0 2.0
   50    49    53    63   7.00000 -1.0 2.0
   53    58    65    66   7.00000 -1.0 2.0
   53    58    65    39   7.00000 -1.0 2.0
   58    40    42    43   7.00000 -1.0 2.0
   58    40   -42    45   7.00000 -1.0 2.0
   58    53    63    64  -0.66100  1.0 1.0
   58    53    63    64   1.20850 -1.0 2.0
   58    53    63    64  -0.36000  1.0 3.0
   58    65   -39    33   7.00000 -1.0 2.0
   58    65    39    41   7.00000 -1.0 2.0
   65    39    41    44   7.00000 -1.0 2.0
   65    39    41    61   7.00000 -1.0 2.0
   66    65    39    33   7.00000 -1.0 2.0
   66    65    39    41   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    40   0.65300  1.0 1.0
   39    33   -37    40  -0.03850 -1.0 2.0
   39    33   -37    40   0.33900  1.0 3.0
   39    33    52    48   0.37500  1.0 3.0
   39    41    44    47   0.28850  1.0 1.0
   39    41    44    47   2.61350 -1.0 2.0
   39    41    44    47   0.78400  1.0 3.0
   39    41   -44    48  -0.51250  1.0 1.0
   39    41   -44    48   1.23350 -1.0 2.0
   39    41    61    56   0.50400  1.0 1.0
   39    41    61    56   1.60000 -1.0 2.0
   39    41    61    56  -0.01800  1.0 3.0
   39    41    61    62   1.00000 -1.0 2.0
   41    44    47    51   7.00000 -1.0 2.0
   41    44    47    69   7.00000 -1.0 2.0
   41    44    48    52   2.00000 -1.0 2.0
   44    41    61    56   0.50400  1.0 1.0
   44    41    61    56   1.60000 -1.0 2.0
   44    41    61    56  -0.01800  1.0 3.0
   44    41    61    62   1.00000 -1.0 2.0
   44    47    51    54   0.28850  1.0 1.0
   44    47    51    54   2.61350 -1.0 2.0
   44    47    51    54   0.78400  1.0 3.0
   44    47   -51    56  -0.18600  1.0 3.0
   44    47    69    67   0.28850  1.0 1.0
   44    47    69    67   2.61350 -1.0 2.0
   44    47    69    67   0.78400  1.0 3.0
   44    47    69    70   0.50950  1.0 1.0
   44    47    69    70   0.56650 -1.0 2.0
   44    47    69    70   0.34050  1.0 3.0
   44    48   -52    33  -2.50000 -1.0 2.0
   47    44    48    52   2.00000 -1.0 2.0
   47    51    54    55   7.00000 -1.0 2.0
   47    51    54    59   7.00000 -1.0 2.0
   47    51    56    57   1.00000 -1.0 2.0
   47    51    56    61   0.50400  1.0 1.0
   47    51    56    61   1.60000 -1.0 2.0
   47    51    56    61  -0.01800  1.0 3.0
   47    69    70    71  -0.66100  1.0 1.0
   47    69    70    71   1.20850 -1.0 2.0
   47    69    70    71  -0.36000  1.0 3.0
   51    47    69    67   0.28850  1.0 1.0
   51    47    69    67   2.61350 -1.0 2.0
   51    47    69    67   0.78400  1.0 3.0
   51    47    69    70   0.50950  1.0 1.0
   51    47    69    70   0.56650 -1.0 2.0
   51    47    69    70   0.34050  1.0 3.0
   51    54    59    60   1.00000 -1.0 2.0
   51    54   -59    67  -1.18350  1.0 1.0
   51    54   -59    67   1.45950 -1.0 2.0
   51    56   -61    41   0.43900  1.0 1.0
   51    56   -61    41  -0.18150 -1.0 2.0
   51    56   -61    41  -0.03650  1.0 3.0
   51    56    61    62   0.03000  1.0 1.0
   51    56    61    62   0.58800 -1.0 2.0
   51    56    61    62   0.15550  1.0 3.0
   54    51    56    57   1.00000 -1.0 2.0
   54    51    56    61   0.50400  1.0 1.0
   54    51    56    61   1.60000 -1.0 2.0
   54    51    56    61  -0.01800  1.0 3.0
   54    59    67    68   0.93700 -1.0 2.0
   54    59    67    69  -1.18350  1.0 1.0
   54    59    67    69   1.45950 -1.0 2.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    67   0.93700 -1.0 2.0
   59    67   -69    47   7.00000 -1.0 2.0
   59    67    69    70   7.00000 -1.0 2.0
   60    59    67    68   0.00000  1.0 1.0
   60    59    67    69   1.00000 -1.0 2.0
   67    69    70    71  -0.66100  1.0 1.0
   67    69    70    71   1.20850 -1.0 2.0
   67    69    70    71  -0.36000  1.0 3.0
   68    67    69    47   7.00000 -1.0 2.0
   68    67    69    70   7.00000 -1.0 2.0
   69    47   -51    54   0.28850  1.0 1.0
   69    47   -51    54   2.61350 -1.0 2.0
   69    47   -51    54   0.78400  1.0 3.0
   69    47    51    56  -0.18600  1.0 3.0
   56    51    54    55   7.00000 -1.0 2.0
   56    51    54    59   7.00000 -1.0 2.0
   57    56    61    41   0.03000  1.0 1.0
   57    56    61    41   0.58800 -1.0 2.0
   57    56    61    41   0.15550  1.0 3.0
   57    56    61    62   0.06100 -1.0 2.0
   61    41   -44    47  -0.18600  1.0 3.0
   61    41    44    48   1.08500 -1.0 2.0
   48    44    47    51   7.00000 -1.0 2.0
   48    44    47    69   7.00000 -1.0 2.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33    37    40   0.65300  1.0 1.0
   52    33    37    40  -0.03850 -1.0 2.0
   52    33    37    40   0.33900  1.0 3.0
   52    33    39    65   0.39000  1.0 1.0
   52    33    39    65  -0.05800 -1.0 2.0
   52    33    39    65  -0.55150  1.0 3.0
   52    33   -39    41   0.39000  1.0 1.0
   52    33   -39    41  -0.05800 -1.0 2.0
   52    33   -39    41  -0.55150  1.0 3.0
   63    53    58    40   0.50950  1.0 1.0
   63    53    58    40   0.56650 -1.0 2.0
   63    53    58    40   0.34050  1.0 3.0
   63    53    58    65   0.50950  1.0 1.0
   63    53    58    65   0.56650 -1.0 2.0
   63    53    58    65   0.34050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    58    40    42   1.10000 -1.0 2.0
   45    43    42    40   1.10000 -1.0 2.0
   42    49    45    46  10.50000 -1.0 2.0
   45    50    49    53   1.10000 -1.0 2.0
   58    63    53    49   1.10000 -1.0 2.0
   40    53    58    65   1.10000 -1.0 2.0
   39    66    65    58   1.10000 -1.0 2.0
   33    65    39    41   1.10000 -1.0 2.0
   44    61    41    39   1.10000 -1.0 2.0
   41    48    44    47   1.10000 -1.0 2.0
   51    69    47    44   1.10000 -1.0 2.0
   47    56    51    54   1.10000 -1.0 2.0
   59    55    54    51   1.10000 -1.0 2.0
   54    67    59    60  10.50000 -1.0 2.0
   59    68    67    69   1.10000 -1.0 2.0
   47    70    69    67   1.10000 -1.0 2.0
   51    61    56    57  10.50000 -1.0 2.0
   41    56    61    62  10.50000 -1.0 2.0
END
