* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    127    176     364
    1     0 S   NP   _N1_     1    28.18149    97.17186   -23.50221
    2     1 S   H    _HN1     2     1.02956    76.15377   -21.38368
    3     1 S   H    _H1_     3     1.02834    31.84486   144.48505
    4     1 S   H    _H2_     4     1.02776   111.46416  -125.94610
    5     1 S   CT   _CA1     5     1.50169   130.38828    83.77306
    6     5 S   HC   _HA1     6     1.09570   105.18268    88.75426
    7     5 S   CO3  _C1_     7     1.53756   112.24492   -31.45537
    8     7 S   O2Z  _O11     8     1.26381   114.97240   -44.52641
    9     7 S   O2Z  _O12     9     1.26198   114.93212   134.26715
   10     5 S   CT   _CB1    10     1.53053   107.39735  -153.28262
   11    10 S   HC   HB11    11     1.09839   109.36275   -49.07908
   12    10 S   HC   HB12    12     1.09813   110.43121    67.46594
   13    10 S   CT   _CG1    13     1.53069   112.73337  -170.02973
   14    13 S   HC   HG11    14     1.09578   110.68423   -65.77785
   15    13 S   HC   HG12    15     1.09657   109.81414    53.48996
   16    13 S   C    _CD1    16     1.51851   111.92616   173.98960
   17    16 S   O    _OE1    17     1.22799   123.17123     9.77370
   18    16 S   N    _N2_    18     1.38491   112.00598  -170.47618
   19    18 S   H    _HN2    19     1.01708   119.38243     2.11100
   20    18 S   CT1  _CA2    20     1.45838   122.64554   178.26675
   21    20 S   HC   _HA2    21     1.09726   108.72021    31.68669
   22    20 S   C    _C2_    22     1.52995   107.08042   -85.57861
   23    22 S   O    _O2_    23     1.22987   123.09129   -28.34215
   24    20 S   CT   _CB2    32     1.53113   112.20114   155.05569
   25    24 S   HC   HB21    33     1.09449   109.67215    54.66225
   26    24 S   HC   HB22    34     1.09532   110.35602   173.22031
   27    22 S   N    _N3_    24     1.38523   112.60048   154.34589
   28    27 S   H    _HN3    25     1.01662   120.35874    -2.22167
   29    24 S   S    _SG2    35     1.82469   111.33322   -66.82327
   30    27 S   CT   _CA3    26     1.45355   122.38420   178.61182
   31    30 S   HC   HA31    27     1.09573   107.67250   -57.42555
   32    30 S   HC   HA32    28     1.09563   107.71830    58.86289
   33    29 S   CT   _C8_    36     1.84341    99.49735   173.71459
   34    33 S   HC   _H7_    37     1.09728   105.18243    40.82160
   35    30 S   CO3  _C3_    29     1.52866   114.40528  -179.42665
   36    35 S   O2Z  _O31    30     1.26319   116.08629    -5.37447
   37    35 S   O2Z  _O32    31     1.26441   114.40597   174.68507
   38    33 S   CT   _C9_    38     1.54408   112.01221   -76.34550
   39    38 S   HC   _H8_    39     1.09591   108.14727    60.51163
   40    38 S   CT   _C4_    40     1.54059   111.14469   178.75557
   41    40 S   HC   _H3_    41     1.09594   108.75389   170.29714
   42    38 S   OS   _O33    65     1.42612   111.96052   -59.49967
   43    40 S   CT   _C5_    42     1.54342   114.19592    48.77063
   44    43 S   HC   _H4_    43     1.09803   107.89495  -165.12416
   45    40 S   OH   _O49    63     1.43037   108.78510   -73.32307
   46    45 S   HO   _H10    64     0.97200   107.12818   -64.66388
   47    42 S   P2   _P1_    66     1.63340   119.56610   132.90264
   48    47 S   O2Z  _O36    67     1.51131   109.17884   171.69083
   49    47 S   O2Z  _O34    68     1.51286   110.35076    36.72555
   50    43 S   CT   _C6_    44     1.54566   113.27295   -46.50685
   51    50 S   HC   _H5_    45     1.09639   108.75666   170.93941
   52    43 S   OS   _O45    58     1.42846   109.28241    76.54070
   53    47 S   OS   _O35    69     1.63274    99.08855   -76.56882
   54    53 S   HO   _H9_    70     0.97982   114.90725   -76.67664
   55    33 S   CT   _C7_    46     1.54595   111.10606   156.35151
   56    55 S   HC   _H6_    47     1.09718   108.35345   -57.77556
   57    50 S   OS   _O41    53     1.43331   107.33290   -69.82777
   58    52 S   P3   _P4_    59     1.65341   119.06635   101.03626
   59    58 S   O2Z  _O47    60     1.52563   104.03372  -175.62821
   60    58 S   O2Z  _O48    61     1.52558   104.80162    64.65317
   61    58 S   O2Z  _O46    62     1.52627   105.08322   -55.80089
   62    55 S   OS   _O37    48     1.42704   110.90533    62.42382
   63    57 S   P3   _P3_    54     1.64501   121.19164  -131.11366
   64    63 S   O2Z  _O43    55     1.52683   103.41589   179.56389
   65    63 S   O2Z  _O44    56     1.52453   104.95865    60.10299
   66    63 S   O2Z  _O42    57     1.52405   104.94029   -61.11211
   67    62 S   P3   _P2_    49     1.65130   120.07599  -130.22162
   68    67 S   O2Z  _O39    50     1.52614   103.85445   177.03034
   69    67 S   O2Z  _O40    51     1.52621   105.26062    57.54227
   70    67 S   O2Z  _O38    52     1.52444   104.92265   -63.20663
  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  10   5   4   3
  16   8   2   1   1  17   7  13   7   8  15   7   3   1   4   3
   2  12   6   6   1   1   8   3   5   3   2   1   1   4   3   2
   1   1   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    55    56    62    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    55    56    62    67    57    45    42    47  
   38    39    40    50    55    56    62    42  
   36    37  
   37  
    0  
   39    40    41    43    44    50    55    56    62    52    45    46    42    47    48    49    53  
   40    41    43    55    45    42    47  
   41    43    44    50    51    55    57    52    58    45    46    42    47  
   43    44    50    52    45    46    42  
   47    48    49    53    54    43    45    55  
   44    50    51    55    56    62    57    63    52    58    59    60    61    45    46  
   50    51    55    57    52    58    45  
   46    50    52  
    0  
   48    49    53    54  
   49    53    54  
   53    54  
   51    55    56    62    67    57    63    64    65    66    52    58  
   55    56    62    57    63    52  
   58    59    60    61    55    57  
   54  
    0  
   56    62    67    68    69    70    57    63  
   62    67    57  
   63    64    65    66    62  
   59    60    61  
   60    61  
   61  
    0  
   67    68    69    70  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70  
   69    70  
   70  
    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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   53   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   59   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   67   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   69   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   70   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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   268.000  1.529
   33    55   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    52   320.000  1.410
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    57   320.000  1.410
   55    56   340.000  1.090
   55    62   320.000  1.410
   62    67   230.000  1.630
   67    68   525.000  1.516
   67    69   525.000  1.516
   67    70   525.000  1.516
   57    63   230.000  1.630
   63    64   525.000  1.516
   63    65   525.000  1.516
   63    66   525.000  1.516
   52    58   230.000  1.630
   58    59   525.000  1.516
   58    60   525.000  1.516
   58    61   525.000  1.516
   45    46   553.000  0.945
   42    47   230.000  1.697
   47    48   525.000  1.480
   47    49   525.000  1.480
   47    53   230.000  1.697
   53    54   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  111.63000
   29    33    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    55    50    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    62    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    47   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    50    58.35000  112.70000
   40    43    52    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    55    58.35000  112.70000
   43    50    57    50.00000  109.50000
   43    52    58    80.00000  112.68000
   50    43    44    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    62    50.00000  109.50000
   50    57    63    80.00000  112.68000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    50    51    37.50000  110.70000
   55    62    67    80.00000  112.68000
   62    55    56    35.00000  109.50000
   62    67    68   100.00000  107.00000
   62    67    69   100.00000  107.00000
   62    67    70   100.00000  107.00000
   69    67    68   140.00000  114.00000
   70    67    68   140.00000  114.00000
   70    67    69   140.00000  114.00000
   57    50    51    35.00000  109.50000
   57    50    55    50.00000  109.50000
   57    63    64   100.00000  107.00000
   57    63    65   100.00000  107.00000
   57    63    66   100.00000  107.00000
   65    63    64   140.00000  114.00000
   66    63    64   140.00000  114.00000
   66    63    65   140.00000  114.00000
   52    43    44    35.00000  109.50000
   52    43    50    50.00000  109.50000
   52    58    59   100.00000  107.00000
   52    58    60   100.00000  107.00000
   52    58    61   100.00000  107.00000
   60    58    59   140.00000  114.00000
   61    58    59   140.00000  114.00000
   61    58    60   140.00000  114.00000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48   100.00000  108.23000
   42    47    49   100.00000  108.23000
   42    47    53    45.00000  102.60000
   47    53    54    45.00000  108.50000
   49    47    48   140.00000  119.90000
   53    47    48   100.00000  108.23000
   53    47    49   100.00000  108.23000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    55    50   0.44750  1.0 1.0
   29    33    55    50  -0.17800 -1.0 2.0
   29    33    55    50   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    62   0.56750  1.0 1.0
   29    33    55    62  -0.07550 -1.0 2.0
   29    33    55    62   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    55    62    67  -2.65550  1.0 1.0
   33    55    62    67  -0.22350 -1.0 2.0
   33    55    62    67   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    55    50   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    62   0.23400  1.0 3.0
   38    33    55    50   0.56750  1.0 1.0
   38    33    55    50  -0.07550 -1.0 2.0
   38    33    55    50   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    62   0.62750  1.0 1.0
   38    33    55    62  -0.30950 -1.0 2.0
   38    33    55    62   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    50   0.56750  1.0 1.0
   38    40   -43    50  -0.07550 -1.0 2.0
   38    40   -43    50   0.20000  1.0 3.0
   38    40    43    52   0.62750  1.0 1.0
   38    40    43    52  -0.30950 -1.0 2.0
   38    40    43    52   0.27300  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    53   0.05050  1.0 1.0
   38    42    47    53  -1.30700 -1.0 2.0
   38    42    47    53   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43    50    51   0.15000  1.0 3.0
   40    43    50    55   0.56750  1.0 1.0
   40    43    50    55  -0.07550 -1.0 2.0
   40    43    50    55   0.20000  1.0 3.0
   40    43    50    57   0.62750  1.0 1.0
   40    43    50    57  -0.30950 -1.0 2.0
   40    43    50    57   0.27300  1.0 3.0
   40    43    52    58  -2.65550  1.0 1.0
   40    43    52    58  -0.22350 -1.0 2.0
   40    43    52    58   0.24150  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    50   0.15000  1.0 3.0
   41    40    43    52   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    50   -55    33   0.56750  1.0 1.0
   43    50   -55    33  -0.07550 -1.0 2.0
   43    50   -55    33   0.20000  1.0 3.0
   43    50    55    56   0.15000  1.0 3.0
   43    50    55    62   0.62750  1.0 1.0
   43    50    55    62  -0.30950 -1.0 2.0
   43    50    55    62   0.27300  1.0 3.0
   43    50    57    63  -2.65550  1.0 1.0
   43    50    57    63  -0.22350 -1.0 2.0
   43    50    57    63   0.24150  1.0 3.0
   43    52    58    59   0.00000  1.0 1.0
   43    52    58    60   0.00000  1.0 1.0
   43    52    58    61   0.00000  1.0 1.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    55   0.15000  1.0 3.0
   44    43    50    57   0.23400  1.0 3.0
   44    43    52    58   0.03000  1.0 3.0
   50    43    52    58  -2.65550  1.0 1.0
   50    43    52    58  -0.22350 -1.0 2.0
   50    43    52    58   0.24150  1.0 3.0
   50    55    62    67  -2.65550  1.0 1.0
   50    55    62    67  -0.22350 -1.0 2.0
   50    55    62    67   0.24150  1.0 3.0
   50    57    63    64   0.00000  1.0 1.0
   50    57    63    65   0.00000  1.0 1.0
   50    57    63    66   0.00000  1.0 1.0
   51    50    55    33   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    62   0.23400  1.0 3.0
   51    50    57    63   0.03000  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.62750  1.0 1.0
   55    33    38    42  -0.30950 -1.0 2.0
   55    33    38    42   0.27300  1.0 3.0
   55    50    57    63  -2.65550  1.0 1.0
   55    50    57    63  -0.22350 -1.0 2.0
   55    50    57    63   0.24150  1.0 3.0
   55    62    67    68   0.00000  1.0 1.0
   55    62    67    69   0.00000  1.0 1.0
   55    62    67    70   0.00000  1.0 1.0
   56    55    62    67   0.03000  1.0 3.0
   57    50    55    33   0.62750  1.0 1.0
   57    50    55    33  -0.30950 -1.0 2.0
   57    50    55    33   0.27300  1.0 3.0
   57    50    55    56   0.23400  1.0 3.0
   57    50    55    62   1.11900  1.0 1.0
   57    50    55    62  -1.16350 -1.0 2.0
   57    50    55    62  -0.34150  1.0 3.0
   52    43    50    51   0.23400  1.0 3.0
   52    43    50    55   0.62750  1.0 1.0
   52    43    50    55  -0.30950 -1.0 2.0
   52    43    50    55   0.27300  1.0 3.0
   52    43    50    57   1.11900  1.0 1.0
   52    43    50    57  -1.16350 -1.0 2.0
   52    43    50    57  -0.34150  1.0 3.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    50   0.86500  1.0 1.0
   45    40    43    50  -0.17500 -1.0 2.0
   45    40    43    50   0.20800  1.0 3.0
   45    40    43    52   3.69350  1.0 1.0
   45    40    43    52  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
   42    47    53    54   0.00000  1.0 1.0
   48    47    53    54   0.00000  1.0 1.0
   49    47    53    54   0.00000  1.0 1.0
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
END
