* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    119    185     348
    1     0 S   NP   _N1_     1    28.78799    95.54285   -22.39896
    2     1 S   H    _HN1     2     1.02947    76.10924    13.09241
    3     1 S   H    _H1_     3     1.02828    35.68222   162.81094
    4     1 S   H    _H2_     4     1.02790   101.96011   -93.12739
    5     1 S   CT   _CA1     5     1.50112   139.99262   118.43976
    6     5 S   HC   _HA1     6     1.09574   105.17648    85.14494
    7     5 S   CO3  _C1_     7     1.53722   112.44665   -35.06760
    8     7 S   O2Z  _O11     8     1.26376   115.02306   -43.28094
    9     7 S   O2Z  _O12     9     1.26234   114.95245   135.79281
   10     5 S   CT   _CB1    10     1.53061   107.41497  -156.90531
   11    10 S   HC   HB11    11     1.09837   109.28617   -49.76406
   12    10 S   HC   HB12    12     1.09813   110.49803    66.82310
   13    10 S   CT   _CG1    13     1.53010   112.64691  -170.73626
   14    13 S   HC   HG11    14     1.09590   110.66287   -67.37474
   15    13 S   HC   HG12    15     1.09670   109.75863    51.87529
   16    13 S   C    _CD1    16     1.51829   112.07045   172.28937
   17    16 S   O    _OE1    17     1.22745   123.21720     9.85022
   18    16 S   N    _N2_    18     1.38631   111.76248  -170.26546
   19    18 S   H    _HN2    19     1.01581   118.97978     1.32648
   20    18 S   CT1  _CA2    20     1.46294   123.42845   177.34694
   21    20 S   HC   _HA2    21     1.09737   109.34944     3.50213
   22    20 S   C    _C2_    22     1.53571   108.70748  -111.98138
   23    22 S   O    _O2_    23     1.23060   122.28919  -148.88907
   24    20 S   CT   _CB2    32     1.53361   111.43386   125.52603
   25    24 S   HC   HB21    33     1.09391   109.55900    56.52043
   26    24 S   HC   HB22    34     1.09486   110.24486   175.41563
   27    22 S   N    _N3_    24     1.38330   113.73089    38.62732
   28    27 S   H    _HN3    25     1.01573   119.56677    -3.36144
   29    24 S   S    _SG2    35     1.82784   111.01768   -64.96397
   30    27 S   CT   _CA3    26     1.45279   123.25617   177.14282
   31    30 S   HC   HA31    27     1.09548   107.52075   -64.57446
   32    30 S   HC   HA32    28     1.09556   107.98367    51.87537
   33    29 S   CT   _C17    36     1.86447   100.60848   171.17969
   34    30 S   CO3  _C3_    29     1.52965   114.05045   173.87631
   35    34 S   O2Z  _O31    30     1.26381   116.07161    -0.22728
   36    34 S   O2Z  _O32    31     1.26425   114.41819   179.82529
   37    33 S   CM   _C11    37     1.50439   105.67186   166.12565
   38    37 S   HC   _H27    38     1.09059   115.86765   -82.73105
   39    33 S   OS   _O19    64     1.42540   109.65889    46.15721
   40    37 S   CMA  _C13    39     1.35057   125.75846    99.28584
   41    40 S   OM   _O17    40     1.25991   128.11859   176.38795
   42    39 S   CT   _C18    65     1.42271   115.92121   179.44893
   43    42 S   HC   _H31    66     1.09374   107.83126   177.32329
   44    42 S   HC   _H32    67     1.09301   111.61058    58.84098
   45    42 S   HC   _H33    68     1.09353   111.20529   -64.59115
   46    40 S   CM   _C12    41     1.48935   118.25344    -3.52947
   47    46 S   CM   _C10    42     1.34984   120.33010    14.69354
   48    47 S   HC   _H26    43     1.08408   122.64772   177.31358
   49    46 S   CT   _C19    46     1.55141   121.18599  -164.04456
   50    49 S   HC   _H34    47     1.09941   109.68834    16.00349
   51    33 S   CO4  _C14    44     1.53355   106.35806   -76.06440
   52    51 S   O    _O18    45     1.23106   123.05456    88.08077
   53    49 S   CA   _C9_    48     1.53704   112.20010   129.29770
   54    49 S   CM   _C16    59     1.51822   110.61061  -101.43087
   55    54 S   HC   _H30    60     1.08784   117.83550   -56.22465
   56    53 S   CA   _C7_    49     1.40394   123.42076   107.04890
   57    56 S   HA   _H24    50     1.08612   121.24221     0.74362
   58    54 S   CM   _C15    61     1.33914   124.16834   122.66098
   59    58 S   HC   _H28    62     1.08446   120.51320  -179.34270
   60    58 S   HC   _H29    63     1.08458   121.52570     0.33977
   61    56 S   CA   _C5_    51     1.39750   120.70121  -178.72497
   62    61 S   HA   _H22    52     1.08637   119.88170   179.90109
   63    61 S   CA   _C4_    53     1.39257   120.26174     0.18767
   64    63 S   HA   _H21    54     1.08625   120.09329   179.76930
   65    63 S   CA   _C6_    55     1.39175   119.88699     0.07402
   66    65 S   HA   _H23    56     1.08629   119.97371   179.63096
   67    53 S   CA   _C8_    57     1.40818   118.37775   -71.33402
   68    67 S   HA   _H25    58     1.08814   120.11941    -0.94874
  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
  14   2   1   1  10   5   8   9   3   4   2   1   1  12   7   3
  14   6   1   1  12   6   3   8   4   2   1   1   6   3   5   3
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    51    52    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    48    51    52    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    51    52    49    39    42  
   40    41    46    51    39  
   42    43    44    45    40    47    51    52  
   41    46    47    48    51    49    50    53    54  
   46    47    49  
   43    44    45    51  
   44    45  
   45  
    0  
   47    48    51    52    49    50    53    56    67    54    55    58  
   48    51    52    49    50    53    54  
   51    52    49  
   50    53    56    57    61    65    67    68    54    55    58    59    60    51  
   53    56    67    54    55    58  
   52  
    0  
   56    57    61    62    63    65    66    67    68    54    55    58  
   55    58    59    60    56    67  
   58    59    60  
   57    61    62    63    64    65    67    68  
   61    62    63    67  
   59    60  
   60  
    0  
   62    63    64    65    66    67  
   63    64    65  
   64    65    66    67    68  
   65    66    67  
   66    67    68  
   67    68  
   68  
    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  -0.316400   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   0.465900   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  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    51   317.000  1.522
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   465.000  1.376
   46    47   549.000  1.340
   46    49   317.000  1.510
   47    48   340.000  1.080
   47    51   320.000  1.462
   51    52   570.000  1.229
   49    50   340.000  1.090
   49    53   317.000  1.510
   49    54   317.000  1.510
   53    56   469.000  1.400
   53    67   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   54    55   340.000  1.080
   54    58   549.000  1.340
   58    59   340.000  1.080
   58    60   340.000  1.080
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    51    75.00000  110.18000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    51    47    65.00000  118.62400
   33    51    52    80.00000  120.40000
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    70.00000  123.01800
   40    37    38    40.00000  120.50800
   40    46    47    70.00000  117.34000
   40    46    49    70.00000  124.00000
   46    40    41    65.00000  137.10300
   46    47    48    35.00000  120.00000
   46    47    51    65.00000  118.96000
   46    49    50    35.00000  109.50000
   46    49    53    70.00000  112.99600
   46    49    54    70.00000  110.12100
   47    51    52    80.00000  123.72100
   51    33    37    70.00000  109.06800
   51    47    48    40.00000  117.72500
   49    46    47    70.00000  124.00000
   49    53    56    70.00000  120.00000
   49    53    67    70.00000  120.00000
   49    54    55    35.00000  117.00000
   49    54    58    70.00000  124.00000
   53    49    50    35.00000  109.50000
   53    56    57    35.00000  120.00000
   53    56    61    63.00000  120.00000
   53    67    65    63.00000  120.00000
   53    67    68    35.00000  120.00000
   56    61    62    35.00000  120.00000
   56    61    63    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  120.00000
   67    53    56    63.00000  120.00000
   67    65    66    35.00000  120.00000
   54    49    50    35.00000  109.50000
   54    49    53    70.00000  112.99600
   54    58    59    35.00000  120.00000
   54    58    60    35.00000  120.00000
   58    54    55    35.00000  120.00000
   60    58    59    35.00000  117.00000
   39    33    37    85.00000  110.90400
   39    33    51    90.00000  108.74100
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    51    47   0.65300  1.0 1.0
   29    33    51    47  -0.03850 -1.0 2.0
   29    33    51    47   0.33900  1.0 3.0
   29    33    51    52   0.30150 -1.0 2.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    51    47   0.65300  1.0 1.0
   37    33    51    47  -0.03850 -1.0 2.0
   37    33    51    47   0.33900  1.0 3.0
   37    33    51    52   0.30150 -1.0 2.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40   -46    47   7.00000 -1.0 2.0
   37    40    46    49   7.00000 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    47    48   7.00000 -1.0 2.0
   40    46    47    51   7.00000 -1.0 2.0
   40    46    49    50   0.00000  1.0 1.0
   40    46    49    53   1.44450  1.0 1.0
   40    46    49    53   0.06600 -1.0 2.0
   40    46    49    53   0.29250  1.0 3.0
   40    46    49    54  -0.28300  1.0 1.0
   40    46    49    54   0.26700 -1.0 2.0
   40    46    49    54  -0.63300  1.0 3.0
   41    40    46    47   7.00000 -1.0 2.0
   41    40    46    49   7.00000 -1.0 2.0
   46    47   -51    33  -0.33500  1.0 1.0
   46    47   -51    33   1.06600 -1.0 2.0
   46    47   -51    33  -0.14000  1.0 3.0
   46    47    51    52   1.00000 -1.0 2.0
   46    49    53    56   0.18050 -1.0 2.0
   46    49    53    67   0.18050 -1.0 2.0
   46    49    54    55   0.00000  1.0 1.0
   46    49    54    58  -0.28300  1.0 1.0
   46    49    54    58   0.26700 -1.0 2.0
   46    49    54    58  -0.63300  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    53   1.44450  1.0 1.0
   47    46    49    53   0.06600 -1.0 2.0
   47    46    49    53   0.29250  1.0 3.0
   47    46    49    54  -0.28300  1.0 1.0
   47    46    49    54   0.26700 -1.0 2.0
   47    46    49    54  -0.63300  1.0 3.0
   48    47    51    33   0.04550  1.0 1.0
   48    47    51    33   0.83000 -1.0 2.0
   48    47    51    33  -0.04000  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    40  -0.51250  1.0 1.0
   51    33   -37    40  -0.88800 -1.0 2.0
   51    33   -37    40   0.08850  1.0 3.0
   51    33    39    42  -1.11000  1.0 1.0
   51    33    39    42   0.50250 -1.0 2.0
   51    33    39    42   0.47450  1.0 3.0
   49    46    47    48   7.00000 -1.0 2.0
   49    46    47    51   7.00000 -1.0 2.0
   49    53    56    57   3.62500 -1.0 2.0
   49    53    56    61   3.62500 -1.0 2.0
   49    53    67    65   3.62500 -1.0 2.0
   49    53    67    68   3.62500 -1.0 2.0
   49    54    58    59   7.00000 -1.0 2.0
   49    54    58    60   7.00000 -1.0 2.0
   50    49    53    56   0.00000  1.0 1.0
   50    49    53    67   0.00000  1.0 1.0
   50    49    54    55   0.33100  1.0 3.0
   50    49    54    58   0.00000  1.0 1.0
   53    49    54    55   0.00000  1.0 1.0
   53    49    54    58   1.44450  1.0 1.0
   53    49    54    58   0.06600 -1.0 2.0
   53    49    54    58   0.29250  1.0 3.0
   53    56    61    62   3.62500 -1.0 2.0
   53    56    61    63   3.62500 -1.0 2.0
   56    53    67    65   3.62500 -1.0 2.0
   56    53    67    68   3.62500 -1.0 2.0
   56    61    63    64   3.62500 -1.0 2.0
   56    61   -63    65   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    63   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63    65    67   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65   -67    53   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   66    65    67    53   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   67    53    56    57   3.62500 -1.0 2.0
   67    53   -56    61   3.62500 -1.0 2.0
   54    49    53    56   0.18050 -1.0 2.0
   54    49    53    67   0.18050 -1.0 2.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    60   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    51    47   0.65300  1.0 1.0
   39    33    51    47  -0.03850 -1.0 2.0
   39    33    51    47   0.33900  1.0 3.0
   39    33    51    52   0.30150 -1.0 2.0
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    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   40    49    46    47   1.10000 -1.0 2.0
   51    48    47    46   1.10000 -1.0 2.0
   33    47    51    52  10.50000 -1.0 2.0
   56    67    53    49   4.00000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   63    62    61    56   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   65    68    67    53   1.10000 -1.0 2.0
   49    55    54    58  15.00000 -1.0 2.0
   59    60    58    54  15.00000 -1.0 2.0
END
