* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    127    199     370
    1     0 S   NP   _N1_     1    29.10949    96.08393   -25.76312
    2     1 S   H    _HN1     2     1.02950    72.08596     8.56584
    3     1 S   H    _H1_     3     1.02831    34.97514  -170.52396
    4     1 S   H    _H2_     4     1.02785   120.14578   -92.70077
    5     1 S   CT   _CA1     5     1.50115   123.63907   111.57874
    6     5 S   HC   _HA1     6     1.09572   105.20007    96.04662
    7     5 S   CO3  _C1_     7     1.53790   112.45980   -24.19831
    8     7 S   O2Z  _O11     8     1.26373   114.99654   -42.22376
    9     7 S   O2Z  _O12     9     1.26237   114.95080   136.92086
   10     5 S   CT   _CB1    10     1.53086   107.43454  -145.94782
   11    10 S   HC   HB11    11     1.09833   109.38569   -49.59094
   12    10 S   HC   HB12    12     1.09814   110.43878    67.02137
   13    10 S   CT   _CG1    13     1.53001   112.60929  -170.56568
   14    13 S   HC   HG11    14     1.09581   110.63058   -65.51900
   15    13 S   HC   HG12    15     1.09670   109.79115    53.71728
   16    13 S   C    _CD1    16     1.51796   112.22862   174.18955
   17    16 S   O    _OE1    17     1.22739   123.27761     7.14466
   18    16 S   N    _N2_    18     1.38650   111.68369  -173.07281
   19    18 S   H    _HN2    19     1.01587   118.98997     1.33852
   20    18 S   CT1  _CA2    20     1.46098   123.35660   177.59939
   21    20 S   HC   _HA2    21     1.09590   109.30795     0.40974
   22    20 S   C    _C2_    22     1.53543   108.80547  -114.66430
   23    22 S   O    _O2_    23     1.23059   122.22281  -149.46325
   24    20 S   CT   _CB2    32     1.53276   111.68904   122.83814
   25    24 S   HC   HB21    33     1.09650   109.71918    61.01635
   26    24 S   HC   HB22    34     1.09567   110.96446   178.47351
   27    22 S   N    _N3_    24     1.38318   113.71249    38.09459
   28    27 S   H    _HN3    25     1.01593   119.55780    -3.59450
   29    24 S   S    _SG2    35     1.82844   114.41669   -58.90195
   30    27 S   CT   _CA3    26     1.45281   123.21309   177.00690
   31    30 S   HC   HA31    27     1.09550   107.54157   -63.77942
   32    30 S   HC   HA32    28     1.09556   107.95053    52.65660
   33    29 S   CT   _C13    36     1.82752    99.76367   -66.05887
   34    33 S   HC   _H15    37     1.09465   107.85226   -50.10451
   35    33 S   HC   _H16    38     1.09333   108.60347    68.65934
   36    30 S   CO3  _C3_    29     1.52956   114.07185   174.62425
   37    36 S   O2Z  _O31    30     1.26379   116.05491    -0.66116
   38    36 S   O2Z  _O32    31     1.26426   114.41492   179.39477
   39    33 S   CT   _C6_    39     1.52698   110.38177  -170.95439
   40    39 S   HC   _H4_    40     1.09809   111.05278   -47.07177
   41    39 S   CT   _C5_    41     1.52731   114.11280  -170.37680
   42    41 S   HC   _H3_    42     1.09389   112.43318    81.58795
   43    41 S   CT   _C4_    43     1.51110   101.77390  -156.46932
   44    43 S   HC   _H7_    44     1.09447   114.13642   157.18614
   45    43 S   HC   _H8_    45     1.09497   109.71690   -81.48067
   46    41 S   OH   _O35    67     1.42341   111.03563   -40.04443
   47    46 S   HO   _H17    68     0.97274   107.48470  -178.37611
   48    43 S   CO   _C7_    46     1.52537   101.86335    37.14932
   49    48 S   HC   _H5_    47     1.09598   109.58375    88.12711
   50    48 S   N*   _N4_    48     1.45688   114.44253  -148.97658
   51    39 S   OS   _O33    66     1.44246   110.08043    71.25698
   52    50 S   CDX  _C8_    49     1.36734   125.36874  -128.94571
   53    52 S   CT   _C11    50     1.50676   109.95503   177.75615
   54    53 S   HC   _H6_    51     1.09260   111.82990  -103.39097
   55    53 S   CG   _C10    52     1.46811   106.47070   131.59109
   56    53 S   N    _N8_    62     1.43228    99.70363    13.64607
   57    56 S   H    _H14    63     1.01471   125.29410   178.21567
   58    55 S   NG   _N6_    53     1.33173   115.53255    40.86086
   59    58 S   H    _H11    54     1.01475   118.42109   178.81733
   60    55 S   NG   _N7_    59     1.32331   120.15095  -140.85355
   61    60 S   H    _H12    60     1.01321   121.11315     1.20236
   62    60 S   H    _H13    61     1.01362   120.72429  -179.44822
   63    50 S   C    _C12    64     1.38290   124.97183    60.98727
   64    63 S   O    _O34    65     1.22338   128.11625    -3.70634
   65    58 S   CT   _C9_    55     1.47685   120.33925    -2.08779
   66    65 S   HC   _H9_    56     1.09415   107.34176  -159.39696
   67    65 S   HC   _H10    57     1.09538   109.17718    83.43445
   68    52 S   NI   _N5_    58     1.28926   125.62601    -4.44435
  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  10   7  10   6   5   3   1   9
   4  11   2  13  13   7  12   6   2   8   5   3   1   1   2   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    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    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    48    51    46  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48    49    50    51    46    47  
   41    42    43    48    51    46  
   42    43    44    45    48    49    50    51    46    47  
   43    44    45    48    51    46    47  
   44    45    48    49    50    52    63    51    46    47  
   45    48    49    50    51    46  
   48    49    50    51    46  
   47    48    51  
    0  
   49    50    52    53    68    56    63    64    51  
   50    52    63    51  
   52    53    54    55    65    68    56    57    63    64    51  
   52    63  
   53    54    55    58    65    66    67    68    60    56    57    63    64  
   54    55    58    59    65    68    60    61    62    56    57    63    64  
   55    58    68    60    56    57    63  
   58    59    65    66    67    68    60    61    62    56    57    63  
   57    63    64    58    60    68  
   63    64  
   59    65    66    67    68    60    61    62  
   65    66    67    68    60  
   61    62    65  
   62  
    0  
   64    68  
    0  
   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   0.205000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.655000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.0000   0.0000   0.390000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.367500   1.8100   1.6000   0.054801302  -1.445846770
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7500   0.1050   0.481500   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.321800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.2500   0.0500   0.280700   2.0020   1.7750   0.023028004  -0.852763146
   56   3.2500   0.1700  -0.518100   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   58   3.2500   0.1700  -0.340900   1.8650   1.6500   0.051222218  -2.220205820
   59   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   60   3.2500   0.1700  -0.747100   2.2900   2.0360   0.003973653   1.685851020
   61   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7500   0.1050   0.813700   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5000   0.0660   0.349400   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2800   0.1700  -0.516000   1.8540   1.6400   0.005000000   0.000000000
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    51   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   250.000  1.527
   48    49   340.000  1.090
   48    50   275.000  1.479
   48    51   320.000  1.380
   50    52   360.000  1.429
   50    63   418.000  1.388
   52    53   260.000  1.508
   52    68   650.000  1.285
   53    54   340.000  1.090
   53    55   290.000  1.488
   53    56   337.000  1.449
   55    58   481.000  1.340
   55    60   481.000  1.340
   58    59   434.000  1.010
   58    65   337.000  1.463
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   315.000  1.435
   60    61   434.000  1.010
   60    62   434.000  1.010
   56    57   434.000  1.010
   56    63   490.000  1.335
   63    64   570.000  1.229
   46    47   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    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    51    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    46    50.00000  109.50000
   39    51    48    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    75.00000  109.43000
   41    46    47    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    48    49    45.00000  112.01100
   43    48    50    75.00000  107.44000
   43    48    51    90.00000  108.56700
   45    43    44    33.00000  107.80000
   48    43    44    45.00000  108.72000
   48    43    45    45.00000  108.72000
   48    50    52    70.00000  121.20000
   48    50    63    70.00000  117.60000
   50    48    49    55.00000  103.44000
   50    52    53    70.00000  106.88000
   50    52    68    80.00000  119.04400
   50    63    56    90.00000  111.91700
   50    63    64    80.00000  120.60000
   52    53    54    45.00000  109.58200
   52    53    55    60.00000  115.84000
   52    53    56    75.00000  110.78400
   52    68    65    75.00000  112.28000
   53    55    58    70.00000  119.45300
   53    55    60    70.00000  119.45300
   53    56    57    38.00000  118.40000
   53    56    63    50.00000  121.90000
   55    53    54    45.00000  109.33400
   55    58    59    35.00000  120.00000
   55    58    65    50.00000  123.20000
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    85.00000  110.25000
   65    58    59    35.00000  118.40000
   67    65    66    33.00000  107.80000
   68    52    53    70.00000  118.34500
   68    65    66    50.00000  110.29200
   68    65    67    50.00000  110.29200
   60    55    58    70.00000  120.00000
   62    60    61    35.00000  120.00000
   56    53    54    35.00000  109.50000
   56    53    55    75.00000  110.78400
   56    63    64    80.00000  122.90000
   63    50    52    70.00000  121.60000
   63    56    57    35.00000  119.80000
   51    39    40    35.00000  109.50000
   51    39    41    50.00000  109.50000
   51    48    49    35.00000  109.50000
   51    48    50   105.00000  106.22000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    51   0.56750  1.0 1.0
   29    33    39    51  -0.07550 -1.0 2.0
   29    33    39    51   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    46   0.86500  1.0 1.0
   33    39    41    46  -0.17500 -1.0 2.0
   33    39    41    46   0.20800  1.0 3.0
   33    39    51    48   0.06250  1.0 1.0
   33    39    51    48  -0.01100 -1.0 2.0
   33    39    51    48   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    51   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    51   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    45   0.15000  1.0 3.0
   39    41   -43    48   3.97050  1.0 1.0
   39    41    46    47  -0.11600  1.0 1.0
   39    41    46    47  -0.09450 -1.0 2.0
   39    41    46    47   0.21250  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    46   0.23400  1.0 3.0
   40    39    51    48   0.37050  1.0 3.0
   41    39   -51    48   0.06250  1.0 1.0
   41    39   -51    48  -0.01100 -1.0 2.0
   41    39   -51    48   0.28050  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50  -0.27100  1.0 1.0
   41    43    48    50  -0.01700 -1.0 2.0
   41    43    48    50  -0.48600  1.0 3.0
   41    43   -48    51   0.62750  1.0 1.0
   41    43   -48    51  -0.30950 -1.0 2.0
   41    43   -48    51   0.27300  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   43    41    46    47  -0.11600  1.0 1.0
   43    41    46    47  -0.09450 -1.0 2.0
   43    41    46    47   0.21250  1.0 3.0
   43    48    50    52   2.08450  1.0 1.0
   43    48    50    52  -0.39300 -1.0 2.0
   43    48    50    52   0.23400  1.0 3.0
   43    48    50    63  -0.43950  1.0 1.0
   43    48    50    63  -0.08100 -1.0 2.0
   43    48    50    63   0.03350  1.0 3.0
   43    48   -51    39   0.06250  1.0 1.0
   43    48   -51    39  -0.01100 -1.0 2.0
   43    48   -51    39   0.28050  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.23400  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    51   0.23400  1.0 3.0
   48    50    52    53   3.62500 -1.0 2.0
   48    50    52    68   3.62500 -1.0 2.0
   48    50    63    56   3.62500 -1.0 2.0
   48    50    63    64   3.04450 -1.0 2.0
   49    48    50    52   0.00000  1.0 1.0
   49    48    50    63   0.00000  1.0 1.0
   49    48    51    39   0.37050  1.0 3.0
   50    48    51    39  -2.37750  1.0 1.0
   50    48    51    39  -0.08150 -1.0 2.0
   50    48    51    39   0.59000  1.0 3.0
   50    52    53    54   0.00000  1.0 1.0
   50    52    53    55  -1.35150  1.0 1.0
   50    52    53    55   0.13900 -1.0 2.0
   50    52    53    55   0.25250  1.0 3.0
   50    52   -53    56   0.00000  1.0 1.0
   50    52    68    65   6.00000 -1.0 2.0
   52    50   -63    56   3.62500 -1.0 2.0
   52    50    63    64   2.67200 -1.0 2.0
   52    53    55    58  -1.35150  1.0 1.0
   52    53    55    58   0.13900 -1.0 2.0
   52    53    55    58   0.25250  1.0 3.0
   52    53    55    60  -1.35150  1.0 1.0
   52    53    55    60   0.13900 -1.0 2.0
   52    53    55    60   0.25250  1.0 3.0
   52    53    56    57   0.00000  1.0 1.0
   52    53   -56    63  -0.19250  1.0 1.0
   52    53   -56    63  -0.00500 -1.0 2.0
   52    53   -56    63   0.17000  1.0 3.0
   53    52    68    65   6.00000 -1.0 2.0
   53    55    58    59   1.50000 -1.0 2.0
   53    55   -58    65   6.00000 -1.0 2.0
   53    55    60    61   1.50000 -1.0 2.0
   53    55    60    62   1.50000 -1.0 2.0
   53    56   -63    50   4.56800  1.0 1.0
   53    56   -63    50   0.31650 -1.0 2.0
   53    56    63    64   3.04450 -1.0 2.0
   54    53    55    58   0.00000  1.0 1.0
   54    53    55    60   0.00000  1.0 1.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    63   0.00000  1.0 1.0
   55    53    56    57   0.00000  1.0 1.0
   55    53    56    63  -0.19250  1.0 1.0
   55    53    56    63  -0.00500 -1.0 2.0
   55    53    56    63   0.17000  1.0 3.0
   55    58    65    66   0.08850  1.0 3.0
   55    58    65    67   0.08850  1.0 3.0
   55    58    65    68  -0.12500  1.0 1.0
   55    58    65    68  -0.12500 -1.0 2.0
   55    58    65    68   0.25000  1.0 3.0
   58    55    60    61   1.50000 -1.0 2.0
   58    55    60    62   1.50000 -1.0 2.0
   58    65   -68    52  -0.12500  1.0 1.0
   58    65   -68    52  -0.12500 -1.0 2.0
   58    65   -68    52   0.25000  1.0 3.0
   59    58    65    66   0.00000  1.0 1.0
   59    58    65    67   0.00000  1.0 1.0
   59    58    65    68   0.00000  1.0 1.0
   66    65    68    52  -0.15000  1.0 3.0
   67    65    68    52  -0.15000  1.0 3.0
   68    52    53    54   0.00000  1.0 1.0
   68    52   -53    55   0.00000  1.0 1.0
   68    52    53    56   0.00000  1.0 1.0
   60    55    58    59   1.50000 -1.0 2.0
   60    55    58    65   3.96800 -1.0 2.0
   56    53    55    58   0.00000  1.0 1.0
   56    53    55    60   0.00000  1.0 1.0
   57    56    63    50   2.56700 -1.0 2.0
   57    56    63    64   2.45000 -1.0 2.0
   63    50   -52    53  -0.45200  1.0 1.0
   63    50   -52    53   0.85900 -1.0 2.0
   63    50   -52    53   0.16650  1.0 3.0
   63    50    52    68  -0.56400  1.0 1.0
   63    50    52    68   0.77500 -1.0 2.0
   63    50    52    68   0.18700  1.0 3.0
   51    39    41    42   0.23400  1.0 3.0
   51    39   -41    43   0.62750  1.0 1.0
   51    39   -41    43  -0.30950 -1.0 2.0
   51    39   -41    43   0.27300  1.0 3.0
   51    39    41    46   3.69350  1.0 1.0
   51    39    41    46  -1.82950 -1.0 2.0
   51    48    50    52  -0.28000  1.0 1.0
   51    48    50    52  -1.16550 -1.0 2.0
   51    48    50    63  -2.75650  1.0 1.0
   51    48    50    63  -1.18150 -1.0 2.0
   51    48    50    63   0.81900  1.0 3.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    48   0.86500  1.0 1.0
   46    41    43    48  -0.17500 -1.0 2.0
   46    41    43    48   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   63    52    50    48   1.00000 -1.0 2.0
   50    53    52    68  10.50000 -1.0 2.0
   58    53    55    60  10.50000 -1.0 2.0
   59    55    58    65   1.00000 -1.0 2.0
   61    62    60    55   1.00000 -1.0 2.0
   57    63    56    53   1.00000 -1.0 2.0
   50    56    63    64  10.50000 -1.0 2.0
END
