* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    138    219     409
    1     0 S   NP   _N1_     1    28.61283    95.19102   -22.31033
    2     1 S   H    _HN1     2     1.02958    84.24782    21.89944
    3     1 S   H    _H1_     3     1.02838    31.27269   159.07965
    4     1 S   H    _H2_     4     1.02780    96.00693   -85.98531
    5     1 S   CT   _CA1     5     1.50105   140.59052   137.33618
    6     5 S   HC   _HA1     6     1.09573   105.25275    71.04690
    7     5 S   CO3  _C1_     7     1.53798   112.38420   -49.23182
    8     7 S   O2Z  _O11     8     1.26361   115.01040   -44.27455
    9     7 S   O2Z  _O12     9     1.26237   114.92388   134.96875
   10     5 S   CT   _CB1    10     1.53099   107.44445  -170.99532
   11    10 S   HC   HB11    11     1.09825   109.40042   -50.55151
   12    10 S   HC   HB12    12     1.09820   110.39076    66.01644
   13    10 S   CT   _CG1    13     1.53009   112.64672  -171.63175
   14    13 S   HC   HG11    14     1.09596   110.46040   -62.84866
   15    13 S   HC   HG12    15     1.09649   109.98295    56.37911
   16    13 S   C    _CD1    16     1.51807   112.31416   176.79771
   17    16 S   O    _OE1    17     1.22717   123.25864    -1.97902
   18    16 S   N    _N2_    18     1.38632   111.61722   178.11519
   19    18 S   H    _HN2    19     1.01577   119.03456     1.77100
   20    18 S   CT1  _CA2    20     1.46224   123.41274  -179.41987
   21    20 S   HC   _HA2    21     1.09733   109.39942    -5.44262
   22    20 S   C    _C2_    22     1.53474   108.44728  -121.07643
   23    22 S   O    _O2_    23     1.23021   122.20406  -145.76066
   24    20 S   CT   _CB2    32     1.53415   111.47306   116.48796
   25    24 S   HC   HB21    33     1.09595   109.89343    56.27239
   26    24 S   HC   HB22    34     1.09466   110.18226   175.28283
   27    22 S   N    _N3_    24     1.38498   113.46180    41.57596
   28    27 S   H    _HN3    25     1.01510   118.94099    -0.74230
   29    24 S   S    _SG2    35     1.82908   111.60556   -64.42027
   30    27 S   CT   _CA3    26     1.45467   123.59033   175.20364
   31    30 S   HC   HA31    27     1.09510   109.43485    20.57432
   32    30 S   HC   HA32    28     1.09500   107.07556   137.60534
   33    29 S   CT   _C10    36     1.84940    99.76341   175.67111
   34    33 S   HC   _H3_    37     1.09848   105.53223   -31.74821
   35    30 S   CO3  _C3_    29     1.52910   112.96478  -103.04004
   36    35 S   O2Z  _O31    30     1.26415   115.34181   -45.86779
   37    35 S   O2Z  _O32    31     1.26346   115.02048   135.02182
   38    33 S   CM   _C4_    38     1.49586   109.11961    81.23498
   39    38 S   HC   _H21    39     1.08943   118.37717   -25.52854
   40    38 S   CMA  _C6_    40     1.34628   123.79404   156.67997
   41    40 S   OM   _O16    41     1.26174   127.94516  -178.98432
   42    40 S   CM   _C5_    42     1.49020   118.57780    -1.36229
   43    42 S   CM   _C7_    43     1.36012   120.03822   -20.64210
   44    42 S   CT   _C16    69     1.51959   118.03303   162.39756
   45    44 S   HC   _H29    70     1.09486   110.99942    87.40848
   46    44 S   HC   _H30    71     1.09649   112.00645   -34.26048
   47    44 S   HC   _H31    72     1.09400   111.69083  -150.06149
   48    43 S   CT   _C11    44     1.52225   125.47853  -157.76630
   49    48 S   HC   _H25    45     1.09517   109.89990  -130.03494
   50    48 S   CT   _C13    46     1.52156   106.92616   106.61842
   51    50 S   HC   _H27    47     1.10320   109.69325   -57.44374
   52    50 S   CT   _C12    48     1.52086   100.70616  -170.25390
   53    52 S   HC   _H26    49     1.09616   111.53387   -76.19309
   54    50 S   CT   _C14    57     1.52255   111.92402    62.52817
   55    54 S   HC   _H28    58     1.09512   110.41990    66.81463
   56    52 S   CO4  _C8_    50     1.51700    99.55028    37.83628
   57    56 S   O    _O17    51     1.22102   126.21657   160.85255
   58    52 S   CT   _C17    53     1.51811   114.25532   157.25436
   59    58 S   HC   _H32    54     1.09553   111.57859   -54.69699
   60    58 S   HC   _H33    55     1.09549   110.56637  -173.86768
   61    58 S   HC   _H34    56     1.09353   111.30895    66.50517
   62    54 S   CT   _C9_    59     1.54695   110.15526   -55.69540
   63    62 S   HC   _H22    60     1.09688   107.05594   174.69031
   64    62 S   HC   _H23    61     1.09930   108.72602   -71.68102
   65    54 S   OH   _O19    67     1.42406   109.45756  -175.39555
   66    65 S   HO   _H38    68     0.97254   107.56742   178.03367
   67    48 S   OS   _O18    52     1.42703   119.33988    -7.96107
   68    33 S   CT   _C15    62     1.57428   114.09519  -150.30839
   69    68 S   CT   _C18    63     1.55922   104.87606    82.50507
   70    69 S   HC   _H35    64     1.09596   111.21257   -54.23144
   71    69 S   HC   _H36    65     1.09287   113.67757  -173.69590
   72    69 S   HC   _H37    66     1.09669   110.93455    65.54883
  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
  17   7   2   1   1   9   4   9   3  12  20   5   2   1   1  15
   7  18   9  12   8  11   6   6   2   4   2   1   1   9   4   3
   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    68    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    62    68    69  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    54    62    63    64    68    69    70    71    72  
   38    39    40    43    62    68    69  
   36    37  
   37  
    0  
   39    40    41    42    43    62    68    69    44  
   40    41    42    68  
   41    42    43    48    68    44    45    46    47  
   42    43    44  
   43    48    49    50    67    62    68    69    44    45    46    47  
   48    49    50    51    52    56    67    54    62    63    64    68    69    70    71    72    44    45    46    47  
   45    46    47    48    68  
   46    47  
   47  
    0  
   49    50    51    52    53    56    57    67    58    54    55    62    68    69    65  
   50    51    52    56    67    54    68  
   51    52    53    56    57    67    58    59    60    61    54    55    62    63    64    68    65    66  
   52    53    56    67    58    54    55    62    65  
   53    56    57    67    58    59    60    61    54    55    62    65  
   56    57    67    58    59    60    61    54  
   55    62    63    64    68    69    65    66    56    58    67  
   62    63    64    68    65    66  
   57    67    58    59    60    61  
   67    58  
   59    60    61    67  
   60    61  
   61  
    0  
   63    64    68    69    70    71    72    65    66  
   64    68    69    65  
   68    69    65  
   66    68  
    0  
   68  
   69    70    71    72  
   70    71    72  
   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   0.107500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    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    68   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   549.000  1.340
   42    44   317.000  1.510
   43    48   317.000  1.510
   43    68   317.000  1.510
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    67   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    56   317.000  1.522
   52    58   268.000  1.529
   56    57   570.000  1.229
   56    67   214.000  1.327
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   65    66   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    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    68    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    68    43    70.00000  112.02700
   33    68    62    58.35000  112.70000
   33    68    69    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  117.34000
   40    42    44    70.00000  124.00000
   42    40    41    65.00000  137.10300
   42    43    48    70.00000  124.00000
   42    43    68    70.00000  124.00000
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    47    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    70.00000  112.02700
   43    48    67    85.00000  110.90400
   43    68    62    70.00000  112.02700
   43    68    69    70.00000  112.02700
   48    50    51    37.50000  110.70000
   48    50    52    58.35000  112.70000
   48    50    54    58.35000  112.70000
   48    67    56    83.00000  116.90000
   50    48    49    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    56    63.00000  111.10000
   50    52    58    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    62    58.35000  112.70000
   50    54    65    50.00000  109.50000
   52    50    51    37.50000  110.70000
   52    56    57    80.00000  120.40000
   52    56    67    81.00000  111.40000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   56    52    53    35.00000  109.50000
   67    48    49    35.00000  109.50000
   67    48    50    50.00000  109.50000
   67    56    57    83.00000  123.40000
   58    52    53    37.50000  110.70000
   58    52    56    63.00000  111.10000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    68    58.35000  112.70000
   54    65    66    55.00000  108.50000
   62    54    55    37.50000  110.70000
   62    68    69    58.35000  112.70000
   64    62    63    33.00000  107.80000
   68    33    34    37.50000  110.70000
   68    33    38    70.00000  112.02700
   68    43    48    65.00000  117.92700
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    69    70    37.50000  110.70000
   68    69    71    37.50000  110.70000
   68    69    72    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   65    54    55    35.00000  109.50000
   65    54    62    50.00000  109.50000
   44    42    43    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    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    68   0.01700  1.0 1.0
   24    29    33    68  -0.23550 -1.0 2.0
   24    29    33    68   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   0.00000  1.0 1.0
   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    68    43   0.56750  1.0 1.0
   29    33    68    43  -0.07550 -1.0 2.0
   29    33    68    43   0.20000  1.0 3.0
   29    33    68    62   0.44750  1.0 1.0
   29    33    68    62  -0.17800 -1.0 2.0
   29    33    68    62   0.20200  1.0 3.0
   29    33    68    69   0.44750  1.0 1.0
   29    33    68    69  -0.17800 -1.0 2.0
   29    33    68    69   0.20200  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    68    69    70   0.15000  1.0 3.0
   33    68    69    71   0.15000  1.0 3.0
   33    68    69    72   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    68    43   0.15000  1.0 3.0
   34    33    68    62   0.15000  1.0 3.0
   34    33    68    69   0.15000  1.0 3.0
   38    33    68    43   0.31000  1.0 1.0
   38    33    68    43   0.14700 -1.0 2.0
   38    33    68    43   0.07550  1.0 3.0
   38    33    68    62   0.34400  1.0 1.0
   38    33    68    62   0.09450 -1.0 2.0
   38    33    68    62   0.11100  1.0 3.0
   38    33    68    69   0.34400  1.0 1.0
   38    33    68    69   0.09450 -1.0 2.0
   38    33    68    69   0.11100  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    43    48   7.00000 -1.0 2.0
   40    42    43    68   7.00000 -1.0 2.0
   40    42    44    45   0.00000  1.0 1.0
   40    42    44    46   0.00000  1.0 1.0
   40    42    44    47   0.00000  1.0 1.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    43    48    49   0.00000  1.0 1.0
   42    43    48    50   0.09850  1.0 1.0
   42    43    48    50   0.15250 -1.0 2.0
   42    43    48    50  -0.50650  1.0 3.0
   42    43    48    67   0.39000  1.0 1.0
   42    43    48    67  -0.05800 -1.0 2.0
   42    43    48    67  -0.55150  1.0 3.0
   42    43   -68    33   0.09850  1.0 1.0
   42    43   -68    33   0.15250 -1.0 2.0
   42    43   -68    33  -0.50650  1.0 3.0
   42    43    68    62   0.09850  1.0 1.0
   42    43    68    62   0.15250 -1.0 2.0
   42    43    68    62  -0.50650  1.0 3.0
   42    43    68    69   0.09850  1.0 1.0
   42    43    68    69   0.15250 -1.0 2.0
   42    43    68    69  -0.50650  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    47   0.00000  1.0 1.0
   43    48    50    51   0.15000  1.0 3.0
   43    48    50    52   0.34400  1.0 1.0
   43    48    50    52   0.09450 -1.0 2.0
   43    48    50    52   0.11100  1.0 3.0
   43    48    50    54   0.34400  1.0 1.0
   43    48    50    54   0.09450 -1.0 2.0
   43    48    50    54   0.11100  1.0 3.0
   43    48    67    56  -0.82050  1.0 1.0
   43    48    67    56   0.00600 -1.0 2.0
   43    48    67    56   0.04400  1.0 3.0
   43    68    69    70   0.15000  1.0 3.0
   43    68    69    71   0.15000  1.0 3.0
   43    68    69    72   0.15000  1.0 3.0
   48    43    68    33   0.46850  1.0 1.0
   48    43    68    33   0.08550 -1.0 2.0
   48    43    68    33   0.09800  1.0 3.0
   48    43    68    62   0.46850  1.0 1.0
   48    43    68    62   0.08550 -1.0 2.0
   48    43    68    62   0.09800  1.0 3.0
   48    43    68    69   0.46850  1.0 1.0
   48    43    68    69   0.08550 -1.0 2.0
   48    43    68    69   0.09800  1.0 3.0
   48    50    52    53   0.15000  1.0 3.0
   48    50   -52    56  -0.95700  1.0 1.0
   48    50   -52    56  -0.18200 -1.0 2.0
   48    50   -52    56   0.29450  1.0 3.0
   48    50    52    58   0.56750  1.0 1.0
   48    50    52    58  -0.07550 -1.0 2.0
   48    50    52    58   0.20000  1.0 3.0
   48    50    54    55   0.15000  1.0 3.0
   48    50   -54    62   0.56750  1.0 1.0
   48    50   -54    62  -0.07550 -1.0 2.0
   48    50   -54    62   0.20000  1.0 3.0
   48    50    54    65   0.86500  1.0 1.0
   48    50    54    65  -0.17500 -1.0 2.0
   48    50    54    65   0.20800  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    54   0.15000  1.0 3.0
   49    48    67    56   0.08050  1.0 3.0
   50    48   -67    56  -0.25900  1.0 1.0
   50    48   -67    56  -0.47000 -1.0 2.0
   50    48   -67    56   0.11750  1.0 3.0
   50    52    56    57   0.30150 -1.0 2.0
   50    52   -56    67   0.36750  1.0 3.0
   50    52    58    59   0.15000  1.0 3.0
   50    52    58    60   0.15000  1.0 3.0
   50    52    58    61   0.15000  1.0 3.0
   50    54    62    63   0.15000  1.0 3.0
   50    54    62    64   0.15000  1.0 3.0
   50    54    62    68   0.56750  1.0 1.0
   50    54    62    68  -0.07550 -1.0 2.0
   50    54    62    68   0.20000  1.0 3.0
   50    54    65    66  -0.11600  1.0 1.0
   50    54    65    66  -0.09450 -1.0 2.0
   50    54    65    66   0.21250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    56  -0.11250  1.0 3.0
   51    50    52    58   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    62   0.15000  1.0 3.0
   51    50    54    65   0.23400  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    62   0.56750  1.0 1.0
   52    50    54    62  -0.07550 -1.0 2.0
   52    50    54    62   0.20000  1.0 3.0
   52    50    54    65   0.86500  1.0 1.0
   52    50    54    65  -0.17500 -1.0 2.0
   52    50    54    65   0.20800  1.0 3.0
   52    56   -67    48   1.63150  1.0 1.0
   52    56   -67    48   2.92000 -1.0 2.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    67   0.00000  1.0 1.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   56    52    58    59  -0.11250  1.0 3.0
   56    52    58    60  -0.11250  1.0 3.0
   56    52    58    61  -0.11250  1.0 3.0
   57    56    67    48   3.00000 -1.0 2.0
   67    48    50    51   0.23400  1.0 3.0
   67    48   -50    52   0.62750  1.0 1.0
   67    48   -50    52  -0.30950 -1.0 2.0
   67    48   -50    52   0.27300  1.0 3.0
   67    48    50    54   0.62750  1.0 1.0
   67    48    50    54  -0.30950 -1.0 2.0
   67    48    50    54   0.27300  1.0 3.0
   58    52    56    57   0.30150 -1.0 2.0
   58    52    56    67   0.36750  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    56  -0.95700  1.0 1.0
   54    50    52    56  -0.18200 -1.0 2.0
   54    50    52    56   0.29450  1.0 3.0
   54    50    52    58   0.56750  1.0 1.0
   54    50    52    58  -0.07550 -1.0 2.0
   54    50    52    58   0.20000  1.0 3.0
   54    62    68    33   0.56750  1.0 1.0
   54    62    68    33  -0.07550 -1.0 2.0
   54    62    68    33   0.20000  1.0 3.0
   54    62   -68    43   0.34400  1.0 1.0
   54    62   -68    43   0.09450 -1.0 2.0
   54    62   -68    43   0.11100  1.0 3.0
   54    62    68    69   0.56750  1.0 1.0
   54    62    68    69  -0.07550 -1.0 2.0
   54    62    68    69   0.20000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    68   0.15000  1.0 3.0
   55    54    65    66   0.19450  1.0 3.0
   62    54    65    66  -0.11600  1.0 1.0
   62    54    65    66  -0.09450 -1.0 2.0
   62    54    65    66   0.21250  1.0 3.0
   62    68    69    70   0.15000  1.0 3.0
   62    68    69    71   0.15000  1.0 3.0
   62    68    69    72   0.15000  1.0 3.0
   63    62    68    33   0.15000  1.0 3.0
   63    62    68    43   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   64    62    68    33   0.15000  1.0 3.0
   64    62    68    43   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   68    33    38    39   0.00000  1.0 1.0
   68    33   -38    40   0.09850  1.0 1.0
   68    33   -38    40   0.15250 -1.0 2.0
   68    33   -38    40  -0.50650  1.0 3.0
   68    43    48    49   0.34800  1.0 3.0
   68    43   -48    50   0.46850  1.0 1.0
   68    43   -48    50   0.08550 -1.0 2.0
   68    43   -48    50   0.09800  1.0 3.0
   68    43    48    67   0.09700  1.0 1.0
   68    43    48    67   0.15600 -1.0 2.0
   68    43    48    67  -0.50800  1.0 3.0
   65    54    62    63   0.23400  1.0 3.0
   65    54    62    64   0.23400  1.0 3.0
   65    54    62    68   0.86500  1.0 1.0
   65    54    62    68  -0.17500 -1.0 2.0
   65    54    62    68   0.20800  1.0 3.0
   44    42    43    48   7.00000 -1.0 2.0
   44    42    43    68   7.00000 -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
   37    30    35    36  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    44    42    43   1.10000 -1.0 2.0
   48    68    43    42   1.10000 -1.0 2.0
   52    67    56    57  10.50000 -1.0 2.0
END
