* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    132    202     383
    1     0 S   NP   _N1_     1    28.75128    93.87229   -21.49461
    2     1 S   H    _HN1     2     1.02777    91.57914   -83.55133
    3     1 S   H    _H1_     3     1.02961    94.21447    24.96836
    4     1 S   H    _H2_     4     1.02835    25.95976   146.20427
    5     1 S   CT   _CA1     5     1.50130   136.63554   150.90480
    6     5 S   HC   _HA1     6     1.09563   105.25752    57.02372
    7     5 S   CO3  _C1_     7     1.53818   112.40410   -63.30429
    8     7 S   O2Z  _O11     8     1.26373   114.99944   -41.22104
    9     7 S   O2Z  _O12     9     1.26235   114.97930   138.02015
   10     5 S   CT   _CB1    10     1.53083   107.42656   175.12331
   11    10 S   HC   HB11    11     1.09822   109.50743   -48.84516
   12    10 S   HC   HB12    12     1.09835   110.29927    67.75401
   13    10 S   CT   _CG1    13     1.53022   112.70625  -169.91675
   14    13 S   HC   HG11    14     1.09588   110.37143   -61.01923
   15    13 S   HC   HG12    15     1.09626   110.13572    58.27722
   16    13 S   C    _CD1    16     1.51788   112.16721   178.70185
   17    16 S   O    _OE1    17     1.22733   123.20458    -6.58020
   18    16 S   N    _N2_    18     1.38635   111.67070   173.31725
   19    18 S   H    _HN2    19     1.01574   119.11925     2.53134
   20    18 S   CT1  _CA2    20     1.46347   123.30296  -175.26228
   21    20 S   HC   _HA2    21     1.09732   109.31210   -12.58835
   22    20 S   C    _C2_    22     1.53349   108.67700  -128.48200
   23    22 S   O    _O2_    23     1.23008   122.24849  -147.41129
   24    20 S   CT   _CB2    32     1.53559   111.09762   109.12374
   25    24 S   HC   HB21    33     1.09568   109.35249    57.67887
   26    24 S   HC   HB22    34     1.09449   110.65809   176.53321
   27    22 S   N    _N3_    24     1.38515   113.37313    40.08619
   28    27 S   H    _HN3    25     1.01526   118.86288    -0.70416
   29    24 S   S    _SG2    35     1.82815   111.07992   -63.21345
   30    27 S   CT   _CA3    26     1.45447   123.49434   175.07399
   31    30 S   HC   HA31    27     1.09520   109.28508    23.36788
   32    30 S   HC   HA32    28     1.09497   107.10560   140.37955
   33    29 S   CT   _C10    36     1.83990   100.11255   161.09065
   34    33 S   HC   _H4_    37     1.10135   101.98024   -41.29713
   35    30 S   CO3  _C3_    29     1.52923   113.10588  -100.14538
   36    35 S   O2Z  _O31    30     1.26404   115.40890   -44.27674
   37    35 S   O2Z  _O32    31     1.26357   114.98552   136.68193
   38    33 S   CT   _C9_    38     1.54021   116.32934  -153.07809
   39    38 S   HC   _H3_    39     1.09994   106.48656   118.70299
   40    33 S   CT   _C11    58     1.55367   118.25025    80.20535
   41    40 S   OM   _O36    59     1.32414   108.08757  -108.08151
   42    38 S   C5BC _C8_    40     1.51014   119.20018     0.02798
   43    40 S   CO4  _C18    60     1.52092   103.20440   139.23274
   44    43 S   O    _O34    61     1.22475   126.53620   170.08420
   45    42 S   C5BC _C5_    41     1.44718   123.02528    89.07759
   46    38 S   OS   _O35    62     1.43178   107.32580  -132.00217
   47    45 S   C5A  _C6_    42     1.37433   106.25560  -179.93744
   48    47 S   HA   _H8_    43     1.08065   133.50559   179.92087
   49    45 S   CT   _C4_    67     1.48483   127.65393    -0.31027
   50    49 S   HC   _H5_    68     1.09452   110.62263   -56.56922
   51    49 S   HC   _H6_    69     1.09449   110.47046    63.69473
   52    49 S   HC   _H7_    70     1.09445   111.34337  -176.48860
   53    47 S   OA   _O33    44     1.34794   110.78450     0.17246
   54    42 S   C5A  _C7_    45     1.39571   131.83768   -90.23152
   55    54 S   CT   _C16    46     1.49861   138.05081     0.93858
   56    55 S   HC   _H14    47     1.09942   108.16779   129.45869
   57    55 S   HC   _H15    48     1.09839   107.70633  -117.72498
   58    55 S   CM   _C15    49     1.50630   117.75550     6.40634
   59    58 S   CM   _C14    50     1.34625   118.75257    69.66737
   60    59 S   HC   _H13    51     1.08796   117.71785     7.01185
   61    58 S   CT   _C17    63     1.50374   115.09153  -107.79438
   62    61 S   HC   _H16    64     1.09550   109.61672   -63.72139
   63    61 S   HC   _H17    65     1.09123   113.77871   176.51507
   64    61 S   HC   _H18    66     1.09459   110.65808    55.19006
   65    59 S   CT   _C13    52     1.49303   127.83281  -167.89896
   66    65 S   HC   _H11    53     1.09719   108.23344  -124.86456
   67    65 S   HC   _H12    54     1.09309   112.24439    -8.99497
   68    65 S   CT   _C12    55     1.54598   113.52374   114.73851
   69    68 S   HC   _H9_    56     1.09734   108.69192    76.38683
   70    68 S   HC   _H10    57     1.10302   104.41446  -173.52292
  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
  15   8   2   1   1  14   6  12   7  15   6   2  10   2   8   3
   5   2   1   1   5   6  10   4   3  10  11   5   4   2   1   1
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    68    40    41    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    45    54    65    68    69    70    40    41    43    44    46  
   38    39    42    68    40    41    43    46  
   36    37  
   37  
    0  
   39    42    45    47    53    54    55    68    40    41    43    44    46    49  
   42    45    54    40    43    46  
   41    43    44    46    42    59    65    66    67    68    69    70  
   43    44    46    65    68    69    70  
   45    47    48    53    54    55    56    57    58    43    46    49    50    51    52  
   44    46    65    68    69    70  
   46    68  
   47    48    53    54    55    46    49    50    51    52  
   54    68  
   48    53    54    55    49    50    51    52  
   53    54    49  
   50    51    52    53    54  
   51    52  
   52  
    0  
   54    55    56    57    58  
   55    56    57    58    59    61  
   56    57    58    59    60    65    61    62    63    64  
   57    58    59    61  
   58    59    61  
   59    60    65    66    67    68    61    62    63    64  
   60    65    66    67    68    69    70    61    62    63    64  
   65    66    67    68    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70  
   67    68    69    70  
   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   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.143000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   54   3.5500   0.0700   0.008000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   285.000  1.502
   38    46   320.000  1.410
   42    45   469.000  1.424
   42    54   546.000  1.367
   45    47   546.000  1.367
   45    49   285.000  1.502
   47    48   367.000  1.080
   47    53   340.000  1.360
   53    54   340.000  1.360
   54    55   295.000  1.489
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   317.000  1.510
   58    59   549.000  1.340
   58    61   317.000  1.510
   59    60   340.000  1.080
   59    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    40   268.000  1.529
   40    41   570.000  1.307
   40    43   317.000  1.522
   43    44   570.000  1.229
   43    46   214.000  1.327
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.17500
   33    38    46    50.00000  109.50000
   33    40    68    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    43    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    42    45    60.00000  130.00000
   38    42    54    60.00000  130.00000
   38    46    43    83.00000  116.90000
   42    38    39    35.00000  109.50000
   42    45    47    70.00000  107.30000
   42    45    49    60.00000  130.00000
   42    54    53    70.00000  110.60000
   42    54    55    50.00000  133.50000
   45    47    48    35.00000  132.10000
   45    47    53    70.00000  110.60000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    52    35.00000  109.50000
   47    53    54    70.00000  106.50000
   53    47    48    35.00000  113.40000
   53    54    55    80.00000  116.10000
   54    42    45    70.00000  107.30000
   54    55    56    45.00000  110.47400
   54    55    57    45.00000  110.47400
   54    55    58    70.00000  112.40000
   55    58    59    70.00000  124.00000
   55    58    61    65.00000  117.92700
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    59    60    35.00000  120.00000
   58    59    65    70.00000  124.00000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    70.00000  112.02700
   65    59    60    35.00000  117.00000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    40    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    40    41    50.00000  109.50000
   68    40    43    63.00000  111.10000
   70    68    69    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    68    69    37.50000  110.70000
   40    68    70    37.50000  110.70000
   40    43    44    80.00000  120.40000
   40    43    46    81.00000  111.40000
   43    40    41    90.00000  108.74100
   46    38    39    35.00000  109.50000
   46    38    42    85.00000  111.85700
   46    43    44    83.00000  123.40000
   61    58    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   49    45    47    60.00000  130.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    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    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    68   0.44750  1.0 1.0
   29    33    40    68  -0.17800 -1.0 2.0
   29    33    40    68   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    45   0.04150 -1.0 2.0
   33    38    42    54   0.04150 -1.0 2.0
   33    38   -46    43  -0.25900  1.0 1.0
   33    38   -46    43  -0.47000 -1.0 2.0
   33    38   -46    43   0.11750  1.0 3.0
   33    40    43    44   0.30150 -1.0 2.0
   33    40   -43    46   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.43200  1.0 3.0
   34    33    38    46   0.23400  1.0 3.0
   34    33    40    68   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43  -0.11250  1.0 3.0
   38    33    40    68   0.56750  1.0 1.0
   38    33    40    68  -0.07550 -1.0 2.0
   38    33    40    68   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33   -40    43  -0.95700  1.0 1.0
   38    33   -40    43  -0.18200 -1.0 2.0
   38    33   -40    43   0.29450  1.0 3.0
   38    42    45    47   3.62500 -1.0 2.0
   38    42    45    49   3.62500 -1.0 2.0
   38    42    54    53   3.62500 -1.0 2.0
   38    42    54    55   3.62500 -1.0 2.0
   39    38    42    45   0.00000  1.0 1.0
   39    38    42    54   0.00000  1.0 1.0
   39    38    46    43   0.08050  1.0 3.0
   42    38    46    43  -0.43900 -1.0 2.0
   42    38    46    43   0.14100  1.0 3.0
   42    45    47    48   3.62500 -1.0 2.0
   42    45   -47    53   3.62500 -1.0 2.0
   42    45    49    50   0.00000  1.0 1.0
   42    45    49    51   0.00000  1.0 1.0
   42    45    49    52   0.00000  1.0 1.0
   42    54    55    56   0.00000  1.0 1.0
   42    54    55    57   0.00000  1.0 1.0
   42    54    55    58   0.18050 -1.0 2.0
   45    42   -54    53   3.62500 -1.0 2.0
   45    42    54    55   3.62500 -1.0 2.0
   45    47   -53    54   3.62500 -1.0 2.0
   47    45    49    50   0.00000  1.0 1.0
   47    45    49    51   0.00000  1.0 1.0
   47    45    49    52   0.00000  1.0 1.0
   47    53   -54    42   3.62500 -1.0 2.0
   47    53    54    55   3.62500 -1.0 2.0
   48    47    53    54   3.62500 -1.0 2.0
   53    54    55    56   0.00000  1.0 1.0
   53    54    55    57   0.00000  1.0 1.0
   53    54    55    58   0.04300 -1.0 2.0
   54    42   -45    47   3.62500 -1.0 2.0
   54    42    45    49   3.62500 -1.0 2.0
   54    55    58    59   1.44450  1.0 1.0
   54    55    58    59   0.06600 -1.0 2.0
   54    55    58    59   0.29250  1.0 3.0
   54    55    58    61   0.09700  1.0 1.0
   54    55    58    61   0.15600 -1.0 2.0
   54    55    58    61  -0.50800  1.0 3.0
   55    58    59    60   7.00000 -1.0 2.0
   55    58    59    65   7.00000 -1.0 2.0
   55    58    61    62   0.34800  1.0 3.0
   55    58    61    63   0.34800  1.0 3.0
   55    58    61    64   0.34800  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    61   0.34800  1.0 3.0
   57    55    58    59   0.00000  1.0 1.0
   57    55    58    61   0.34800  1.0 3.0
   58    59    65    66   0.00000  1.0 1.0
   58    59    65    67   0.00000  1.0 1.0
   58    59    65    68   0.09850  1.0 1.0
   58    59    65    68   0.15250 -1.0 2.0
   58    59    65    68  -0.50650  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   59    58    61    64   0.00000  1.0 1.0
   59    65    68    69   0.15000  1.0 3.0
   59    65    68    70   0.15000  1.0 3.0
   59    65    68    40   0.34400  1.0 1.0
   59    65    68    40   0.09450 -1.0 2.0
   59    65    68    40   0.11100  1.0 3.0
   60    59    65    66   0.33100  1.0 3.0
   60    59    65    67   0.33100  1.0 3.0
   60    59    65    68   0.00000  1.0 1.0
   65    68    40    33   0.56750  1.0 1.0
   65    68    40    33  -0.07550 -1.0 2.0
   65    68    40    33   0.20000  1.0 3.0
   65    68    40    41   0.62750  1.0 1.0
   65    68    40    41  -0.30950 -1.0 2.0
   65    68    40    41   0.27300  1.0 3.0
   65    68    40    43  -0.95700  1.0 1.0
   65    68    40    43  -0.18200 -1.0 2.0
   65    68    40    43   0.29450  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    40   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    40   0.15000  1.0 3.0
   68    40    43    44   0.30150 -1.0 2.0
   68    40    43    46   0.36750  1.0 3.0
   69    68    40    33   0.15000  1.0 3.0
   69    68    40    41   0.23400  1.0 3.0
   69    68    40    43  -0.11250  1.0 3.0
   70    68    40    33   0.15000  1.0 3.0
   70    68    40    41   0.23400  1.0 3.0
   70    68    40    43  -0.11250  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42  -0.03700  1.0 1.0
   40    33    38    42   0.37200 -1.0 2.0
   40    33    38    42  -0.47300  1.0 3.0
   40    33   -38    46   0.62750  1.0 1.0
   40    33   -38    46  -0.30950 -1.0 2.0
   40    33   -38    46   0.27300  1.0 3.0
   40    43   -46    38   1.63150  1.0 1.0
   40    43   -46    38   2.92000 -1.0 2.0
   41    40    43    44   0.30150 -1.0 2.0
   41    40    43    46   0.40000  1.0 3.0
   44    43    46    38   3.00000 -1.0 2.0
   46    38    42    45   0.64500  1.0 1.0
   46    38    42    45   0.14800 -1.0 2.0
   46    38    42    45   0.20650  1.0 3.0
   46    38    42    54   0.64500  1.0 1.0
   46    38    42    54   0.14800 -1.0 2.0
   46    38    42    54   0.20650  1.0 3.0
   61    58    59    60   7.00000 -1.0 2.0
   61    58    59    65   7.00000 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    45    47    53   3.62500 -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
   36    30    35    37  10.50000 -1.0 2.0
   45    54    42    38   4.00000 -1.0 2.0
   47    49    45    42   4.00000 -1.0 2.0
   53    48    47    45   1.10000 -1.0 2.0
   53    55    54    42   4.00000 -1.0 2.0
   55    61    58    59   1.10000 -1.0 2.0
   65    60    59    58   1.10000 -1.0 2.0
   40    46    43    44  10.50000 -1.0 2.0
END
