* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    127    198     375
    1     0 S   NP   _N1_     1    28.07801    96.35376   -22.09819
    2     1 S   H    _HN1     2     1.02775    97.31934  -109.52227
    3     1 S   H    _H1_     3     1.02957    77.86810    -2.24855
    4     1 S   H    _H2_     4     1.02834    36.59114   140.18638
    5     1 S   CT   _CA1     5     1.50134   143.56595   105.71981
    6     5 S   HC   _HA1     6     1.09574   105.21606    80.32736
    7     5 S   CO3  _C1_     7     1.53789   112.36056   -39.87458
    8     7 S   O2Z  _O11     8     1.26367   114.99431   -43.64811
    9     7 S   O2Z  _O12     9     1.26233   114.93553   135.44267
   10     5 S   CT   _CB1    10     1.53095   107.42004  -161.74471
   11    10 S   HC   HB11    11     1.09827   109.34907   -50.29389
   12    10 S   HC   HB12    12     1.09816   110.41707    66.26608
   13    10 S   CT   _CG1    13     1.53019   112.67481  -171.35409
   14    13 S   HC   HG11    14     1.09594   110.50335   -64.26985
   15    13 S   HC   HG12    15     1.09656   109.91672    54.93743
   16    13 S   C    _CD1    16     1.51840   112.30154   175.32379
   17    16 S   O    _OE1    17     1.22750   123.29118     0.75537
   18    16 S   N    _N2_    18     1.38539   111.71390  -179.32914
   19    18 S   H    _HN2    19     1.01571   119.04296     4.48397
   20    18 S   CT1  _CA2    20     1.45878   122.91509   178.09002
   21    20 S   HC   _HA2    21     1.09717   108.96347    23.64408
   22    20 S   C    _C2_    22     1.52877   106.80176   -93.56052
   23    22 S   O    _O2_    23     1.22995   122.94208   -29.59715
   24    20 S   CT   _CB2    32     1.53231   112.08603   146.80795
   25    24 S   HC   HB21    33     1.09466   109.61759    54.90732
   26    24 S   HC   HB22    34     1.09470   109.94858   173.65053
   27    22 S   N    _N3_    24     1.38473   112.66198   153.02117
   28    27 S   H    _HN3    25     1.01653   120.40458    -1.18101
   29    24 S   S    _SG2    35     1.83156   110.63165   -66.31942
   30    27 S   CT   _CA3    26     1.45360   122.40980   178.73731
   31    30 S   HC   HA31    27     1.09564   107.55435   -62.02326
   32    30 S   HC   HA32    28     1.09571   107.84594    54.28445
   33    29 S   CT   _C15    36     1.87517   101.38082   170.35105
   34    30 S   CO3  _C3_    29     1.52884   114.40731   176.30392
   35    34 S   O2Z  _O31    30     1.26326   116.09447     1.17337
   36    34 S   O2Z  _O32    31     1.26453   114.39661  -178.78727
   37    33 S   CM   _C10    37     1.49364   108.17749    59.39281
   38    37 S   HC   _H25    38     1.09382   114.11467    57.70062
   39    33 S   CT   _C19    55     1.56298   108.41753  -179.06351
   40    39 S   HC   _H35    56     1.09894   109.13064    60.30016
   41    37 S   CMA  _C11    39     1.35044   129.17457  -122.75684
   42    41 S   OM   _O17    40     1.26677   123.62441   179.81337
   43    39 S   CT   _C18    57     1.54411   113.25967  -177.88678
   44    43 S   HC   _H33    58     1.09752   110.10881    74.31528
   45    43 S   HC   _H34    59     1.09360   111.42916   -43.25441
   46    39 S   OH   _O21    71     1.43485   109.93709   -56.76120
   47    46 S   HO   _H38    72     0.97200   107.62209   170.26221
   48    41 S   CA   _C6_    41     1.52185   115.08144    -0.43069
   49    43 S   CM   _C13    60     1.50706   112.07819  -166.58642
   50    49 S   HC   _H26    61     1.08911   114.55455   -85.72687
   51    48 S   CA   _C7_    42     1.41489   122.27306     3.49132
   52    49 S   CM   _C14    62     1.34669   127.03881    95.49288
   53    51 S   CA   _C9_    43     1.41460   120.60327   179.71061
   54    33 S   CO4  _C12    53     1.52187   106.37236   -62.97942
   55    54 S   O    _O18    54     1.23137   121.23851   -55.27649
   56    52 S   CT   _C16    63     1.50500   120.60947   178.40971
   57    56 S   HC   _H27    64     1.09493   110.28689   119.22053
   58    56 S   HC   _H28    65     1.09495   110.20908  -120.95557
   59    56 S   HC   _H29    66     1.09511   112.38091    -0.90569
   60    52 S   CT   _C17    67     1.50318   124.83397    -2.30885
   61    60 S   HC   _H30    68     1.09478   110.10537   114.72564
   62    60 S   HC   _H31    69     1.09253   113.43594    -6.30111
   63    60 S   HC   _H32    70     1.09535   110.05571  -125.91488
   64    53 S   CA   _C5_    44     1.39036   121.30483     0.06256
   65    64 S   HA   _H24    45     1.08627   120.68579   179.92867
   66    53 S   OH   _O20    51     1.37141   123.96046   179.77619
   67    66 S   HO   _H37    52     0.97327   109.03575     1.31537
   68    64 S   CA   _C4_    46     1.38287   119.38805     0.01978
   69    68 S   HA   _H23    47     1.08671   119.78005   179.92867
   70    48 S   CA   _C8_    48     1.42373   121.68678  -176.69927
   71    70 S   OH   _O19    49     1.37516   123.48323     0.39466
   72    71 S   HO   _H36    50     0.97533   107.49297    -0.97358
  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  11   5   4   3
  17   2   1   1  12   5  13   7   8   3  10   5   4   3   1  11
  10   3  10   8   9   4   1   7   3   2   1   3   2   1   1   7
   4   2   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    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    51    54    55    39    40    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    48    51    53    54    55    39    40    43    44    45    49    46    47  
   35    36  
   36  
    0  
   38    41    42    48    51    70    54    55    39    40    43    46  
   41    42    48    54    39  
   40    43    44    45    49    50    52    46    47    41    51    54    55  
   43    44    45    49    46    47    54  
   42    48    51    53    68    70    71    54  
   48    51    70  
   44    45    49    50    52    56    60    46    47    54  
   45    49    50    52    46  
   49    50    52    46  
   47    49    54  
    0  
   51    53    64    68    69    70    71    72    66    54    55  
   50    52    56    57    58    59    60    61    62    63  
   52    56    60  
   53    64    65    68    70    71    66    67    54    55  
   56    57    58    59    60    61    62    63  
   64    65    68    69    70    66    67    54    55  
   55    64    66    70  
    0  
   57    58    59    60    61    62    63  
   58    59    60  
   59    60  
   60  
   61    62    63  
   62    63  
   63  
    0  
   65    68    69    70    71    66    67  
   68    69    70    66  
   67    68  
    0  
   69    70    71    72  
   70    71  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   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  1.510
   33    54   317.000  1.522
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    48   320.000  1.460
   48    51   469.000  1.400
   48    70   469.000  1.400
   51    53   469.000  1.400
   51    54   310.000  1.470
   53    64   469.000  1.400
   53    66   450.000  1.364
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   66    67   553.000  0.945
   54    55   570.000  1.229
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   317.000  1.510
   49    50   340.000  1.080
   49    52   549.000  1.340
   52    56   317.000  1.510
   52    60   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   46    47   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  112.20000
   29    33    54    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    54    51    65.00000  115.47100
   33    54    55    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    46    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    48    60.00000  123.20500
   41    37    38    40.00000  120.50800
   41    48    51    60.00000  120.93500
   41    48    70    60.00000  120.93500
   48    41    42    85.00000  114.86500
   48    51    53    63.00000  120.00000
   48    51    54    60.00000  119.52600
   48    70    68    63.00000  120.00000
   48    70    71    70.00000  120.00000
   51    53    64    63.00000  120.00000
   51    53    66    70.00000  120.00000
   51    54    55    75.00000  123.78400
   53    64    65    35.00000  120.00000
   53    64    68    63.00000  120.00000
   53    66    67    35.00000  113.00000
   64    68    69    35.00000  120.00000
   64    68    70    63.00000  120.00000
   68    64    65    35.00000  120.00000
   68    70    71    70.00000  120.00000
   70    48    51    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  113.00000
   66    53    64    70.00000  120.00000
   54    33    37    70.00000  109.06800
   54    51    53    60.00000  119.52600
   39    33    37    70.00000  112.02700
   39    33    54    63.00000  111.10000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    70.00000  112.02700
   39    46    47    55.00000  108.50000
   43    39    40    37.50000  110.70000
   43    49    50    35.00000  117.00000
   43    49    52    70.00000  124.00000
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   49    52    56    70.00000  124.00000
   49    52    60    70.00000  124.00000
   52    49    50    35.00000  120.00000
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   52    60    61    35.00000  109.50000
   52    60    62    35.00000  109.50000
   52    60    63    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    52    56    65.00000  117.92700
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    54    51   0.65300  1.0 1.0
   29    33    54    51  -0.03850 -1.0 2.0
   29    33    54    51   0.33900  1.0 3.0
   29    33    54    55   0.30150 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    48   7.00000 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    49   0.34400  1.0 1.0
   33    39    43    49   0.09450 -1.0 2.0
   33    39    43    49   0.11100  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   37    33    54    51   0.65300  1.0 1.0
   37    33    54    51  -0.03850 -1.0 2.0
   37    33    54    51   0.33900  1.0 3.0
   37    33    54    55   0.30150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.34400  1.0 1.0
   37    33    39    43   0.09450 -1.0 2.0
   37    33    39    43   0.11100  1.0 3.0
   37    33    39    46   1.05650  1.0 1.0
   37    33    39    46   0.15600 -1.0 2.0
   37    33    39    46   0.53150  1.0 3.0
   37    41   -48    51   0.15800  1.0 1.0
   37    41   -48    51   1.85350 -1.0 2.0
   37    41   -48    51  -0.48700  1.0 3.0
   37    41    48    70   0.15800  1.0 1.0
   37    41    48    70   1.85350 -1.0 2.0
   37    41    48    70  -0.48700  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    48   7.00000 -1.0 2.0
   41    48    51    53   3.62500 -1.0 2.0
   41    48    51    54   3.62500 -1.0 2.0
   41    48    70    68   3.62500 -1.0 2.0
   41    48    70    71   3.62500 -1.0 2.0
   42    41    48    51  -0.01750  1.0 1.0
   42    41    48    51  -0.32000 -1.0 2.0
   42    41    48    51   0.00600  1.0 3.0
   42    41    48    70  -0.01750  1.0 1.0
   42    41    48    70  -0.32000 -1.0 2.0
   42    41    48    70   0.00600  1.0 3.0
   48    51    53    64   3.62500 -1.0 2.0
   48    51    53    66   3.62500 -1.0 2.0
   48    51   -54    33   2.26350  1.0 1.0
   48    51   -54    33   0.76750 -1.0 2.0
   48    51   -54    33   0.22500  1.0 3.0
   48    51    54    55   1.05000 -1.0 2.0
   48    70    71    72   0.84100 -1.0 2.0
   51    48    70    68   3.62500 -1.0 2.0
   51    48    70    71   3.62500 -1.0 2.0
   51    53    64    65   3.62500 -1.0 2.0
   51    53   -64    68   3.62500 -1.0 2.0
   51    53    66    67   0.84100 -1.0 2.0
   53    51    54    33   2.26350  1.0 1.0
   53    51    54    33   0.76750 -1.0 2.0
   53    51    54    33   0.22500  1.0 3.0
   53    51    54    55   1.05000 -1.0 2.0
   53    64    68    69   3.62500 -1.0 2.0
   53    64    68    70   3.62500 -1.0 2.0
   64    53    66    67   0.84100 -1.0 2.0
   64    68   -70    48   3.62500 -1.0 2.0
   64    68    70    71   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    70   3.62500 -1.0 2.0
   68    70    71    72   0.84100 -1.0 2.0
   69    68    70    48   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   70    48   -51    53   3.62500 -1.0 2.0
   70    48    51    54   3.62500 -1.0 2.0
   66    53    64    65   3.62500 -1.0 2.0
   66    53    64    68   3.62500 -1.0 2.0
   54    33    37    38   0.00000  1.0 1.0
   54    33   -37    41  -0.51250  1.0 1.0
   54    33   -37    41  -0.88800 -1.0 2.0
   54    33   -37    41   0.08850  1.0 3.0
   54    33    39    40  -0.11250  1.0 3.0
   54    33    39    43  -0.95700  1.0 1.0
   54    33    39    43  -0.18200 -1.0 2.0
   54    33    39    43   0.29450  1.0 3.0
   54    33    39    46  -0.09450  1.0 1.0
   54    33    39    46  -1.12950 -1.0 2.0
   54    33    39    46   0.54000  1.0 3.0
   54    51    53    64   3.62500 -1.0 2.0
   54    51    53    66   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    54    51   0.05850 -1.0 2.0
   39    33    54    51   0.17250  1.0 3.0
   39    33    54    55   0.30150 -1.0 2.0
   39    43    49    50   0.00000  1.0 1.0
   39    43    49    52   0.09850  1.0 1.0
   39    43    49    52   0.15250 -1.0 2.0
   39    43    49    52  -0.50650  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    46    47   0.19450  1.0 3.0
   43    39    46    47  -0.11600  1.0 1.0
   43    39    46    47  -0.09450 -1.0 2.0
   43    39    46    47   0.21250  1.0 3.0
   43    49    52    56   7.00000 -1.0 2.0
   43    49    52    60   7.00000 -1.0 2.0
   44    43    49    50   0.33100  1.0 3.0
   44    43    49    52   0.00000  1.0 1.0
   45    43    49    50   0.33100  1.0 3.0
   45    43    49    52   0.00000  1.0 1.0
   49    52    56    57   0.00000  1.0 1.0
   49    52    56    58   0.00000  1.0 1.0
   49    52    56    59   0.00000  1.0 1.0
   49    52    60    61   0.00000  1.0 1.0
   49    52    60    62   0.00000  1.0 1.0
   49    52    60    63   0.00000  1.0 1.0
   50    49    52    56   7.00000 -1.0 2.0
   50    49    52    60   7.00000 -1.0 2.0
   56    52    60    61   0.34800  1.0 3.0
   56    52    60    62   0.34800  1.0 3.0
   56    52    60    63   0.34800  1.0 3.0
   60    52    56    57   0.34800  1.0 3.0
   60    52    56    58   0.34800  1.0 3.0
   60    52    56    59   0.34800  1.0 3.0
   46    39    43    44   0.23400  1.0 3.0
   46    39    43    45   0.23400  1.0 3.0
   46    39    43    49   1.05650  1.0 1.0
   46    39    43    49   0.15600 -1.0 2.0
   46    39    43    49   0.53150  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   48    42    41    37   1.10000 -1.0 2.0
   51    70    48    41   4.00000 -1.0 2.0
   53    54    51    48   4.00000 -1.0 2.0
   64    66    53    51   4.00000 -1.0 2.0
   68    65    64    53   1.10000 -1.0 2.0
   70    69    68    64   1.10000 -1.0 2.0
   68    71    70    48   4.00000 -1.0 2.0
   33    51    54    55  10.50000 -1.0 2.0
   43    50    49    52  15.00000 -1.0 2.0
   56    60    52    49  15.00000 -1.0 2.0
END
