* LIGAND DATABASE FILE (OPLS2005)
*
001      64    66    117    188     344
    1     0 S   NP   _N1_     1    29.41871    97.97257   -20.55522
    2     1 S   H    _HN1     2     1.02948    63.90270    16.60575
    3     1 S   H    _H1_     3     1.02826    57.41004   151.14995
    4     1 S   H    _H2_     4     1.02784    87.16055   -95.46332
    5     1 S   CT   _CA1     5     1.50110   160.38163    93.99074
    6     5 S   HC   _HA1     6     1.09574   105.19445   108.42516
    7     5 S   CO3  _C1_     7     1.53796   112.45815   -11.80161
    8     7 S   O2Z  _O11     8     1.26375   115.00073   -42.51858
    9     7 S   O2Z  _O12     9     1.26237   114.95545   136.58529
   10     5 S   CT   _CB1    10     1.53079   107.41470  -133.59244
   11    10 S   HC   HB11    11     1.09830   109.39249   -49.63547
   12    10 S   HC   HB12    12     1.09810   110.46480    67.00586
   13    10 S   CT   _CG1    13     1.52944   112.54520  -170.60075
   14    13 S   HC   HG11    14     1.09592   110.61725   -65.40491
   15    13 S   HC   HG12    15     1.09672   109.78002    53.79586
   16    13 S   C    _CD1    16     1.51795   112.30665   174.22912
   17    16 S   O    _OE1    17     1.22712   123.38053     5.66621
   18    16 S   N    _N2_    18     1.38557   111.51639  -174.34567
   19    18 S   H    _HN2    19     1.01615   118.84261     1.59937
   20    18 S   CT1  _CA2    20     1.46148   123.72991   178.48302
   21    20 S   HC   _HA2    21     1.09710   109.37650     4.64494
   22    20 S   C    _C2_    22     1.53549   108.86498  -111.28652
   23    22 S   O    _O2_    23     1.23083   122.14907  -150.17758
   24    20 S   CT   _CB2    32     1.53245   111.23770   126.72596
   25    24 S   HC   HB21    33     1.09401   109.71476    58.68036
   26    24 S   HC   HB22    34     1.09523   110.59764   177.17070
   27    22 S   N    _N3_    24     1.38276   113.90262    37.14672
   28    27 S   H    _HN3    25     1.01573   119.58557    -3.32861
   29    24 S   S    _SG2    35     1.82593   111.59114   -63.15495
   30    27 S   CT   _CA3    26     1.45275   123.21801   177.41071
   31    30 S   HC   HA31    27     1.09548   107.52998   -64.29252
   32    30 S   HC   HA32    28     1.09558   107.95951    52.14627
   33    29 S   CT   _C16    36     1.85626    99.45085   161.75272
   34    33 S   HC   _H3_    37     1.09686   107.04251    22.73980
   35    30 S   CO3  _C3_    29     1.52956   114.08563   174.12067
   36    35 S   O2Z  _O31    30     1.26373   116.07780    -0.43924
   37    35 S   O2Z  _O32    31     1.26430   114.41158   179.60833
   38    33 S   CM   _C15    38     1.51906   107.05888   141.12064
   39    38 S   Br   Br1_    39     1.88613   113.87397   -89.85212
   40    38 S   CMA  _C14    40     1.35911   123.12288    93.49519
   41    40 S   OM   _O34    41     1.26251   130.28637   176.23724
   42    40 S   CM   _C13    42     1.48928   116.83428    -2.88011
   43    42 S   Br   Br2_    43     1.89368   121.82381  -158.10276
   44    42 S   CM   _C12    44     1.34889   120.55181    21.23034
   45    44 S   HC   _H8_    45     1.08716   120.69812   178.19474
   46    33 S   CT   _C11    46     1.56253   113.22400   -96.85005
   47    46 S   CT   _C10    47     1.55482   111.52172   162.85036
   48    47 S   HC   _H6_    48     1.09634   112.64948   140.78207
   49    47 S   HC   _H7_    49     1.09429   113.11689    16.47587
   50    46 S   OS   _O33    59     1.45828   110.12236    43.51541
   51    47 S   CA   _C9_    50     1.48077   100.16926  -103.12377
   52    51 S   CA   _C4_    51     1.38490   128.89341   170.64796
   53    52 S   HA   _H4_    52     1.08590   120.37671    -2.09667
   54    52 S   CA   _C5_    53     1.40311   118.75380   177.43128
   55    54 S   CA   _C6_    54     1.41080   119.64767    -1.42574
   56    55 S   HA   _H5_    55     1.08816   119.27833  -178.65172
   57    54 S   CT   _C17    60     1.50197   120.22957  -179.17552
   58    57 S   HC   _H9_    61     1.09537   110.76099  -148.76644
   59    57 S   HC   _H10    62     1.09535   110.90299   -28.98423
   60    55 S   CA   _C7_    56     1.39760   120.61498     1.01568
   61    60 S   Br   Br3_    57     1.88769   119.86239  -179.74977
   62    57 S   OH   _O35    63     1.41900   108.96394    91.12482
   63    62 S   HO   _H11    64     0.97225   107.04668   179.87805
   64    51 S   CA   _C8_    58     1.38296   109.84423   -12.32327
  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
  15   7   2   1   1   9   4   6   3   6   3   8   3   8   9   5
   4   6   8  10   4  10   8   4   5   3   2   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    48    49    51    64    50  
   38    39    40    44    46    47    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47    50  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47    50  
   44    45    46  
   45    46    47    48    49    51    64    50  
   46    47    50  
   47    48    49    51    52    60    64    50  
   48    49    51    52    53    54    60    64    50  
   49    51    52    64    50  
   51    52    64    50  
   51    52    55    60    61    64  
   52    53    54    55    60    61    64    57  
   53    54    55    56    60    64    57    58    59    62  
   54    55    64    57  
   55    56    60    61    64    57    58    59    62    63  
   56    60    61    64    57    58    59    62  
   60    61    64    57  
   58    59    62    63    60  
   59    62    63  
   62    63  
   61    64  
   64  
   63  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.421700   2.0020   1.7750   0.023028004  -0.852763146
   39   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   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   3.5500   0.0760  -0.421700   2.0020   1.7750   0.023028004  -0.852763146
   43   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   44   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.077900   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.197200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   62   3.1200   0.1700  -0.633300   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    46   268.000  1.529
   38    39   165.000  1.979
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   165.000  1.979
   42    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   268.000  1.529
   46    50   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   317.000  1.510
   51    52   469.000  1.400
   51    64   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   469.000  1.400
   54    57   317.000  1.510
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   300.000  1.903
   60    64   469.000  1.400
   64    50   450.000  1.364
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   320.000  1.410
   62    63   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    70.00000  111.14000
   33    38    40    70.00000  124.00000
   33    46    44    70.00000  112.02700
   33    46    47    58.35000  112.70000
   33    46    50    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    65.00000  115.01300
   40    42    43    65.00000  115.01300
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    35.00000  120.00000
   42    44    46    70.00000  124.00000
   44    42    43    65.00000  115.01300
   44    46    47    70.00000  112.02700
   44    46    50    85.00000  110.90400
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    44    45    35.00000  117.00000
   46    47    48    37.50000  110.70000
   46    47    49    37.50000  110.70000
   46    47    51    70.00000  112.17500
   46    50    64    75.00000  111.00000
   47    51    52    70.00000  120.00000
   47    51    64    70.00000  120.00000
   49    47    48    33.00000  107.80000
   51    47    48    35.00000  109.50000
   51    47    49    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    54    63.00000  120.00000
   51    64    60    63.00000  120.00000
   51    64    50    70.00000  120.00000
   52    54    55    63.00000  120.00000
   52    54    57    70.00000  120.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    60    63.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    90.00000  112.51600
   55    60    61    75.00000  120.00000
   55    60    64    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    64    50    70.00000  120.00000
   64    51    52    63.00000  120.00000
   64    60    61    75.00000  120.00000
   50    46    47    50.00000  109.50000
   57    54    55    70.00000  120.00000
   57    62    63    55.00000  108.50000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.44750  1.0 1.0
   29    33    46    47  -0.17800 -1.0 2.0
   29    33    46    47   0.20200  1.0 3.0
   29    33    46    50   0.56750  1.0 1.0
   29    33    46    50  -0.07550 -1.0 2.0
   29    33    46    50   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    47    48   0.15000  1.0 3.0
   33    46    47    49   0.15000  1.0 3.0
   33    46    47    51  -0.03700  1.0 1.0
   33    46    47    51   0.37200 -1.0 2.0
   33    46    47    51  -0.47300  1.0 3.0
   33    46    50    64  -0.32850  1.0 1.0
   33    46    50    64  -0.35800 -1.0 2.0
   33    46    50    64   0.33950  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.15000  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    50   0.23400  1.0 3.0
   38    33    46    44   0.31000  1.0 1.0
   38    33    46    44   0.14700 -1.0 2.0
   38    33    46    44   0.07550  1.0 3.0
   38    33    46    47   0.34400  1.0 1.0
   38    33    46    47   0.09450 -1.0 2.0
   38    33    46    47   0.11100  1.0 3.0
   38    33    46    50   0.61850  1.0 1.0
   38    33    46    50  -0.22750 -1.0 2.0
   38    33    46    50   0.15300  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    46   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44   -46    33   0.09850  1.0 1.0
   42    44   -46    33   0.15250 -1.0 2.0
   42    44   -46    33  -0.50650  1.0 3.0
   42    44    46    47   0.09850  1.0 1.0
   42    44    46    47   0.15250 -1.0 2.0
   42    44    46    47  -0.50650  1.0 3.0
   42    44    46    50   0.39000  1.0 1.0
   42    44    46    50  -0.05800 -1.0 2.0
   42    44    46    50  -0.55150  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    48   0.15000  1.0 3.0
   44    46    47    49   0.15000  1.0 3.0
   44    46    47    51   0.21200  1.0 1.0
   44    46    47    51   0.16900 -1.0 2.0
   44    46    47    51  -1.15100  1.0 3.0
   44    46    50    64  -0.25600  1.0 1.0
   44    46    50    64  -0.40050 -1.0 2.0
   44    46    50    64   0.34700  1.0 3.0
   45    44    46    33   0.00000  1.0 1.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    50   0.00000  1.0 1.0
   46    33    38    39   0.09700  1.0 1.0
   46    33    38    39   0.15600 -1.0 2.0
   46    33    38    39  -0.50800  1.0 3.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    47    51    52   0.04150 -1.0 2.0
   46    47   -51    64   0.04150 -1.0 2.0
   47    46   -50    64  -0.32850  1.0 1.0
   47    46   -50    64  -0.35800 -1.0 2.0
   47    46   -50    64   0.33950  1.0 3.0
   47    51    52    53   3.62500 -1.0 2.0
   47    51    52    54   3.62500 -1.0 2.0
   47    51    64    60   3.62500 -1.0 2.0
   47    51   -64    50   3.62500 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    64   0.00000  1.0 1.0
   49    47    51    52   0.00000  1.0 1.0
   49    47    51    64   0.00000  1.0 1.0
   51    52    54    55   3.62500 -1.0 2.0
   51    52    54    57   3.62500 -1.0 2.0
   51    64   -50    46   1.63200 -1.0 2.0
   52    51    64    60   3.62500 -1.0 2.0
   52    51    64    50   3.62500 -1.0 2.0
   52    54    55    56   3.62500 -1.0 2.0
   52    54   -55    60   3.62500 -1.0 2.0
   52    54    57    58   0.00000  1.0 1.0
   52    54    57    59   0.00000  1.0 1.0
   52    54    57    62   0.14300 -1.0 2.0
   52    54    57    62   0.00300  1.0 3.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    57   3.62500 -1.0 2.0
   54    55    60    61   3.62500 -1.0 2.0
   54    55    60    64   3.62500 -1.0 2.0
   54    57    62    63   0.31900  1.0 1.0
   54    57    62    63  -0.11800 -1.0 2.0
   54    57    62    63   0.38750  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    62   0.14300 -1.0 2.0
   55    54    57    62   0.00300  1.0 3.0
   55    60   -64    51   3.62500 -1.0 2.0
   55    60    64    50   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    64   3.62500 -1.0 2.0
   60    64    50    46   1.63200 -1.0 2.0
   61    60    64    51   3.62500 -1.0 2.0
   61    60    64    50   3.62500 -1.0 2.0
   64    51    52    53   3.62500 -1.0 2.0
   64    51   -52    54   3.62500 -1.0 2.0
   50    46    47    48   0.23400  1.0 3.0
   50    46    47    49   0.23400  1.0 3.0
   50    46   -47    51  -0.64350  1.0 1.0
   50    46   -47    51  -0.04200 -1.0 2.0
   50    46   -47    51   0.19800  1.0 3.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    60   3.62500 -1.0 2.0
   58    57    62    63   0.19450  1.0 3.0
   59    57    62    63   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   52    64    51    47   4.00000 -1.0 2.0
   54    53    52    51   1.10000 -1.0 2.0
   55    57    54    52   4.00000 -1.0 2.0
   60    56    55    54   1.10000 -1.0 2.0
   64    61    60    55   4.00000 -1.0 2.0
   60    50    64    51   4.00000 -1.0 2.0
END
