* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    124    188     356
    1     0 S   NP   _N1_     1    29.03133    96.47021   -20.74727
    2     1 S   H    _HN1     2     1.02800   100.84809  -128.46007
    3     1 S   H    _H1_     3     1.02835    71.89538   -22.53941
    4     1 S   H    _H2_     4     1.02965    40.73667   126.71135
    5     1 S   CT   _CA1     5     1.50586   142.90567    79.10579
    6     5 S   HC   _HA1     6     1.09681   104.49362    94.88971
    7     5 S   CO3  _C1_     7     1.54504   110.93059   -20.67662
    8     7 S   O2Z  _O11     8     1.26010   116.78396  -125.83996
    9     7 S   O2Z  _O12     9     1.26620   113.68335    53.06728
   10     5 S   CT   _CB1    10     1.53155   106.89507  -148.88230
   11    10 S   HC   HB11    11     1.09840   110.16199   -39.16796
   12    10 S   HC   HB12    12     1.09757   110.19859    77.62089
   13    10 S   CT   _CG1    13     1.52920   112.17575  -159.53775
   14    13 S   HC   HG11    14     1.09357   110.89101   -60.12384
   15    13 S   HC   HG12    15     1.09616   109.39038    59.00595
   16    13 S   C    _CD1    16     1.51700   112.37467   179.60883
   17    16 S   O    _OE1    17     1.22753   123.18729    13.41254
   18    16 S   N    _N2_    18     1.38698   111.79541  -167.06926
   19    18 S   H    _HN2    19     1.01591   118.93754     2.81779
   20    18 S   CT1  _CA2    20     1.46159   123.35096   179.54716
   21    20 S   HC   _HA2    21     1.09741   108.87556     9.28186
   22    20 S   C    _C2_    22     1.53681   109.84829  -106.38582
   23    22 S   O    _O2_    23     1.23116   121.94009  -156.09021
   24    20 S   CT   _CB2    32     1.53500   111.90740   130.71064
   25    24 S   HC   HB21    33     1.09450   110.62162    64.13155
   26    24 S   HC   HB22    34     1.09571   109.96000  -178.55139
   27    22 S   N    _N3_    24     1.38230   114.21622    31.18375
   28    27 S   H    _HN3    25     1.01532   119.57248    -3.88811
   29    24 S   S    _SG2    35     1.82955   111.87051   -60.02378
   30    27 S   CT   _CA3    26     1.45275   123.29348   177.14837
   31    30 S   HC   HA31    27     1.09550   107.56104   -62.98049
   32    30 S   HC   HA32    28     1.09554   107.93554    53.46237
   33    29 S   CT   _C13    36     1.83229   100.38869   126.38903
   34    33 S   HC   _H9_    37     1.09386   107.91765    56.97213
   35    33 S   HC   _H10    38     1.09512   105.73612   171.97598
   36    30 S   CO3  _C3_    29     1.52969   114.05012   175.35696
   37    36 S   O2Z  _O31    30     1.26388   116.08511    -2.17061
   38    36 S   O2Z  _O32    31     1.26431   114.42699   177.88289
   39    33 S   CT   _C12    39     1.53516   113.49210   -67.48571
   40    39 S   HC   _H6_    40     1.09340   110.17727    58.33169
   41    39 S   CT   _C11    41     1.53181   114.44126  -178.77379
   42    41 S   HC   _H5_    42     1.09580   111.19060  -153.03664
   43    41 S   CT   _C10    43     1.51361   102.22841    90.01593
   44    43 S   HC   _H4_    44     1.09723   109.50805   -82.05075
   45    41 S   OS   _O34    64     1.41639   113.30423   -29.34033
   46    43 S   CO   _C9_    45     1.52469   102.61926    35.29072
   47    46 S   HC   _H3_    46     1.09626   110.45558  -145.43276
   48    43 S   OH   _O38    62     1.41517   112.35672   158.33903
   49    48 S   HO   _H11    63     0.97201   107.74335   177.33655
   50    45 S   P3   _P1_    65     1.65004   118.80263   -90.44790
   51    50 S   O2Z  _O36    66     1.52459   103.44671   174.63082
   52    50 S   O2Z  _O37    67     1.52524   104.68206    54.85225
   53    50 S   O2Z  _O35    68     1.52482   104.42428   -65.62629
   54    46 S   N*   _N6_    47     1.45421   116.03477    93.22830
   55    39 S   OS   _O33    61     1.44507   109.24492   -60.04021
   56    54 S   CRAB _C8_    48     1.37341   123.88612    96.10696
   57    56 S   HA   _H8_    49     1.08173   122.39236    -0.36744
   58    56 S   NNA  _N7_    50     1.31480   112.26685   179.61033
   59    58 S   C56B _C6_    51     1.37390   104.91038    -0.67580
   60    54 S   C56A _C7_    52     1.37004   129.16352   -84.73584
   61    60 S   NB   _N5_    53     1.34218   128.44482     0.53229
   62    61 S   CQ   _C4_    54     1.34546   111.14023  -179.67736
   63    62 S   HA   _H7_    55     1.08487   115.77208  -179.56931
   64    62 S   NB   _N4_    56     1.35241   128.57573     0.73781
   65    59 S   CA   _C5_    57     1.40386   131.39381  -178.92371
   66    65 S   NND  _N8_    58     1.38127   122.15087     0.60328
   67    66 S   H    _H12    59     1.01113   120.18467     1.60437
   68    66 S   H    _H13    60     1.00986   119.45852   179.48414
  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   7   5   4   3
  10   5   4   2   1   1  12   6  14   7  11   7   7  11   5   3
   1   3   2   1   1   9   2   6   3   6   8   6   4   4   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    55  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    55    45  
   35    39    40    41    55  
   39    40    41    55  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    54    55    48    45    50  
   41    42    43    46    55    45  
   42    43    44    46    47    54    55    48    49    45    50    51    52    53  
   43    44    46    55    48    45    50  
   44    46    47    54    56    60    55    48    49    45    50  
   46    47    54    55    48    49    45  
   50    51    52    53    46    48    55  
   47    54    56    57    58    59    60    61    55    48    49  
   54    56    60    55    48  
   49    54    55  
    0  
   51    52    53  
   52    53  
   53  
    0  
   56    57    58    59    60    61    62    65    55  
   56    60  
   57    58    59    60    61    65  
   58    59    60  
   59    60    61    64    65    66  
   60    61    62    64    65    66    67    68  
   61    62    63    64    65    66  
   62    63    64    65  
   63    64    65    66  
   64    65  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   51   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   54   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   62   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   64   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   65   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    55   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    46   250.000  1.527
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    54   275.000  1.479
   46    55   320.000  1.380
   54    56   440.000  1.371
   54    60   436.000  1.374
   56    57   367.000  1.080
   56    58   529.000  1.304
   58    59   414.000  1.391
   59    60   447.000  1.419
   59    65   469.000  1.404
   60    61   461.000  1.354
   61    62   502.000  1.324
   62    63   367.000  1.080
   62    64   502.000  1.324
   64    65   483.000  1.339
   65    66   481.000  1.340
   66    67   434.000  1.010
   66    68   434.000  1.010
   48    49   553.000  0.945
   45    50   230.000  1.630
   50    51   525.000  1.516
   50    52   525.000  1.516
   50    53   525.000  1.516
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    55    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    55    46    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    46    75.00000  109.43000
   41    43    48    50.00000  109.50000
   41    45    50    80.00000  112.68000
   43    41    42    37.50000  110.70000
   43    46    47    45.00000  112.01100
   43    46    54    75.00000  107.44000
   43    46    55    90.00000  108.56700
   43    48    49    55.00000  108.50000
   46    43    44    45.00000  108.72000
   46    54    56    70.00000  128.80000
   46    54    60    70.00000  125.80000
   54    46    47    55.00000  103.44000
   54    56    57    35.00000  123.05000
   54    56    58    70.00000  113.90000
   54    60    59    70.00000  106.20000
   54    60    61    70.00000  126.20000
   56    58    59    70.00000  103.80000
   58    56    57    35.00000  123.05000
   58    59    60    70.00000  110.40000
   58    59    65    70.00000  132.40000
   59    60    61    70.00000  127.70000
   59    65    64    70.00000  117.30000
   59    65    66    70.00000  123.50000
   60    54    56    70.00000  105.40000
   60    61    62    70.00000  111.00000
   61    62    63    35.00000  115.45000
   61    62    64    70.00000  129.10000
   62    64    65    70.00000  118.60000
   64    62    63    35.00000  115.45000
   64    65    66    70.00000  119.30000
   65    59    60    85.00000  116.20000
   65    66    67    35.00000  120.00000
   65    66    68    35.00000  120.00000
   68    66    67    35.00000  120.00000
   55    39    40    35.00000  109.50000
   55    39    41    50.00000  109.50000
   55    46    47    35.00000  109.50000
   55    46    54   105.00000  106.22000
   48    43    44    35.00000  109.50000
   48    43    46    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
   45    50    51   100.00000  107.00000
   45    50    52   100.00000  107.00000
   45    50    53   100.00000  107.00000
   52    50    51   140.00000  114.00000
   53    50    51   140.00000  114.00000
   53    50    52   140.00000  114.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    55   0.56750  1.0 1.0
   29    33    39    55  -0.07550 -1.0 2.0
   29    33    39    55   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    55    46   0.06250  1.0 1.0
   33    39    55    46  -0.01100 -1.0 2.0
   33    39    55    46   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    55   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    55   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    46   3.97050  1.0 1.0
   39    41    43    48   0.86500  1.0 1.0
   39    41    43    48  -0.17500 -1.0 2.0
   39    41    43    48   0.20800  1.0 3.0
   39    41    45    50  -2.65550  1.0 1.0
   39    41    45    50  -0.22350 -1.0 2.0
   39    41    45    50   0.24150  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    55    46   0.37050  1.0 3.0
   41    39   -55    46   0.06250  1.0 1.0
   41    39   -55    46  -0.01100 -1.0 2.0
   41    39   -55    46   0.28050  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    54  -0.64600  1.0 1.0
   41    43    46    54   0.58400 -1.0 2.0
   41    43   -46    55   0.62750  1.0 1.0
   41    43   -46    55  -0.30950 -1.0 2.0
   41    43   -46    55   0.27300  1.0 3.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   41    45    50    51   0.00000  1.0 1.0
   41    45    50    52   0.00000  1.0 1.0
   41    45    50    53   0.00000  1.0 1.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    45    50   0.03000  1.0 3.0
   43    41    45    50  -2.65550  1.0 1.0
   43    41    45    50  -0.22350 -1.0 2.0
   43    41    45    50   0.24150  1.0 3.0
   43    46    54    56   1.10250  1.0 1.0
   43    46    54    56   0.01650 -1.0 2.0
   43    46    54    56   0.39100  1.0 3.0
   43    46    54    60   1.10250  1.0 1.0
   43    46    54    60   0.01650 -1.0 2.0
   43    46    54    60   0.39100  1.0 3.0
   43    46   -55    39   0.06250  1.0 1.0
   43    46   -55    39  -0.01100 -1.0 2.0
   43    46   -55    39   0.28050  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.15000  1.0 3.0
   44    43    46    55   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    54    56    57   3.62500 -1.0 2.0
   46    54    56    58   3.62500 -1.0 2.0
   46    54    60    59   0.81400  1.0 1.0
   46    54    60    59   1.55550 -1.0 2.0
   46    54    60    61   3.62500 -1.0 2.0
   47    46    54    56   0.00000  1.0 1.0
   47    46    54    60   0.00000  1.0 1.0
   47    46    55    39   0.37050  1.0 3.0
   54    46    55    39  -2.37750  1.0 1.0
   54    46    55    39  -0.08150 -1.0 2.0
   54    46    55    39   0.59000  1.0 3.0
   54    56   -58    59   3.62500 -1.0 2.0
   54    60    61    62   3.62500 -1.0 2.0
   56    54   -60    59   0.70250  1.0 1.0
   56    54   -60    59   1.56150 -1.0 2.0
   56    54    60    61   3.62500 -1.0 2.0
   56    58   -59    60   3.62500 -1.0 2.0
   56    58    59    65   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   58    59   -60    54   3.62500 -1.0 2.0
   58    59    60    61   3.62500 -1.0 2.0
   58    59    65    64   3.62500 -1.0 2.0
   58    59    65    66   3.62500 -1.0 2.0
   59    60    61    62   3.62500 -1.0 2.0
   59    65    66    67   0.70000 -1.0 2.0
   59    65    66    68   0.70000 -1.0 2.0
   60    54    56    57   3.62500 -1.0 2.0
   60    54   -56    58   3.62500 -1.0 2.0
   60    59    65    64   3.62500 -1.0 2.0
   60    59    65    66   3.62500 -1.0 2.0
   60    61    62    63   3.62500 -1.0 2.0
   60    61   -62    64   3.62500 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   62    64   -65    59   3.62500 -1.0 2.0
   62    64    65    66   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    65    66    67   0.70000 -1.0 2.0
   64    65    66    68   0.70000 -1.0 2.0
   65    59    60    54   3.00000 -1.0 2.0
   65    59   -60    61   3.62500 -1.0 2.0
   55    39    41    42   0.23400  1.0 3.0
   55    39   -41    43   0.62750  1.0 1.0
   55    39   -41    43  -0.30950 -1.0 2.0
   55    39   -41    43   0.27300  1.0 3.0
   55    39    41    45   1.11900  1.0 1.0
   55    39    41    45  -1.16350 -1.0 2.0
   55    39    41    45  -0.34150  1.0 3.0
   55    46    54    56   0.10350  1.0 1.0
   55    46    54    56  -0.15350 -1.0 2.0
   55    46    54    60   0.10350  1.0 1.0
   55    46    54    60  -0.15350 -1.0 2.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    54   2.76900  1.0 1.0
   48    43    46    54  -0.24350 -1.0 2.0
   48    43    46    54  -0.78250  1.0 3.0
   48    43    46    55   3.69350  1.0 1.0
   48    43    46    55  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    46   0.62750  1.0 1.0
   45    41    43    46  -0.30950 -1.0 2.0
   45    41    43    46   0.27300  1.0 3.0
   45    41    43    48   3.69350  1.0 1.0
   45    41    43    48  -1.82950 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   56    60    54    46   4.00000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   60    65    59    58   4.00000 -1.0 2.0
   59    61    60    54   4.00000 -1.0 2.0
   64    63    62    61   1.10000 -1.0 2.0
   64    66    65    59   4.00000 -1.0 2.0
   68    65    66    67   1.00000 -1.0 2.0
END
