* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    141    225     417
    1     0 S   NP   _N1_     1    28.86976    95.58779   -24.49927
    2     1 S   H    _HN1     2     1.02948    77.94446     2.76754
    3     1 S   H    _H1_     3     1.02827    29.72398   171.39346
    4     1 S   H    _H2_     4     1.02791   112.79560  -102.29078
    5     1 S   CT   _CA1     5     1.50126   128.19174   109.36827
    6     5 S   HC   _HA1     6     1.09574   105.16564    87.21472
    7     5 S   CO3  _C1_     7     1.53767   112.43874   -32.98480
    8     7 S   O2Z  _O11     8     1.26374   115.00620   -43.04140
    9     7 S   O2Z  _O12     9     1.26235   114.93432   135.94868
   10     5 S   CT   _CB1    10     1.53059   107.40167  -154.83854
   11    10 S   HC   HB11    11     1.09840   109.31629   -49.54202
   12    10 S   HC   HB12    12     1.09811   110.48043    67.04361
   13    10 S   CT   _CG1    13     1.53019   112.64926  -170.48969
   14    13 S   HC   HG11    14     1.09573   110.70816   -67.17020
   15    13 S   HC   HG12    15     1.09670   109.72555    52.08616
   16    13 S   C    _CD1    16     1.51812   112.01502   172.53484
   17    16 S   O    _OE1    17     1.22758   123.19800    11.12794
   18    16 S   N    _N2_    18     1.38656   111.82585  -168.90112
   19    18 S   H    _HN2    19     1.01585   119.00808     1.01162
   20    18 S   CT1  _CA2    20     1.46186   123.31304   176.67033
   21    20 S   HC   _HA2    21     1.09743   109.25350     6.27932
   22    20 S   C    _C2_    22     1.53634   108.99137  -109.21595
   23    22 S   O    _O2_    23     1.23086   122.17476  -149.78205
   24    20 S   CT   _CB2    32     1.53332   111.69125   128.19176
   25    24 S   HC   HB21    33     1.09538   110.01939    57.08270
   26    24 S   HC   HB22    34     1.09517   110.02833   176.13908
   27    22 S   N    _N3_    24     1.38292   113.87697    37.76040
   28    27 S   H    _HN3    25     1.01555   119.59727    -3.42405
   29    24 S   S    _SG2    35     1.82780   111.44131   -64.06425
   30    27 S   CT   _CA3    26     1.45284   123.28823   177.11982
   31    30 S   HC   HA31    27     1.09548   107.52146   -64.49292
   32    30 S   HC   HA32    28     1.09555   107.98580    51.96341
   33    29 S   CT   _C16    36     1.85254    99.86877  -173.47619
   34    33 S   HC   _H4_    37     1.09278   104.74130    46.89624
   35    30 S   CO3  _C3_    29     1.52977   114.03580   173.94952
   36    35 S   O2Z  _O31    30     1.26384   116.06657    -0.62464
   37    35 S   O2Z  _O32    31     1.26424   114.42051   179.43803
   38    33 S   CM   _C17    38     1.50237   108.33159   -69.33232
   39    38 S   HC   _H18    39     1.08847   117.06209    93.95133
   40    38 S   CMA  _C18    40     1.34784   123.45996   -87.47678
   41    40 S   OM   _O35    41     1.26032   130.03139  -178.81090
   42    40 S   CT   _C19    42     1.52528   117.66594     2.90239
   43    42 S   HC   _H19    43     1.10028   108.38301    91.85787
   44    42 S   HC   _H20    44     1.10134   110.86458  -153.60749
   45    42 S   CT   _C11    45     1.54226   116.08131   -32.17758
   46    45 S   HC   _H3_    46     1.10065   107.48681  -107.99028
   47    33 S   CT   _C12    47     1.56108   115.88729   166.98766
   48    45 S   OS   _O34    56     1.45262   108.87303   138.72766
   49    47 S   CR3  _C9_    48     1.49801   114.27373   -39.31267
   50    47 S   CT   _C13    71     1.55920   112.31746  -166.99267
   51    50 S   HC   _H10    72     1.09764   108.94596   -64.07275
   52    50 S   HC   _H11    73     1.09975   109.59103  -178.87013
   53    49 S   CA   _C8_    49     1.38788   129.56596   -73.93871
   54    53 S   CA   _C7_    50     1.40313   117.34357   176.95387
   55    54 S   HA   _H9_    51     1.08839   120.20998  -179.44574
   56    53 S   CT   _C15    62     1.49638   121.87047    -1.84483
   57    56 S   HC   _H16    63     1.09516   111.61300    67.04831
   58    56 S   HC   _H17    64     1.09580   110.33539  -173.53480
   59    54 S   CA   _C6_    52     1.40723   121.44461     0.26541
   60    59 S   HA   _H8_    53     1.08604   117.63065  -179.82754
   61    56 S   NP   _N4_    65     1.49639   113.91479   -55.77480
   62    61 S   H    _H14    66     1.02924   107.52174  -160.33251
   63    61 S   H    _H15    67     1.02980   109.50485   -46.71549
   64    59 S   CA   _C5_    54     1.39575   120.65992     0.01978
   65    61 S   CT   _C14    68     1.49166   116.86259    78.98924
   66    65 S   HC   _H12    69     1.09555   105.33694   170.16933
   67    65 S   HC   _H13    70     1.09276   108.11866    55.42704
   68    49 S   CA   _C10    55     1.39262   109.61919   104.09077
   69    64 S   OS   _O33    57     1.36498   126.24655  -179.81233
   70    69 S   CT   _C4_    58     1.42233   116.79893     1.52547
   71    70 S   HC   _H5_    59     1.09427   107.76813   179.17481
   72    70 S   HC   _H6_    60     1.09507   111.16289    61.37703
   73    70 S   HC   _H7_    61     1.09500   111.10538   -63.06337
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  10   4   8   4   9   5   4  11   5  14   7
  15  11   5   4  13  10   4  10   5   4   5   3   5   4   3   6
   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    47    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    47    49    53    68    48    65    50    51    52  
   38    39    40    45    47    49    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    49    50  
   40    41    42    47  
   41    42    43    44    45    46    47    48  
   42    43    44    45  
   43    44    45    46    47    49    68    48    50  
   44    45    46    47    48  
   45    46    47    48  
   46    47    49    53    64    68    48    65    50    51    52  
   47    49    68    48    50  
   49    53    54    64    68    48    56    61    65    66    67    50    51    52  
   69    50    49    53    59    64    68  
   53    54    55    59    64    68    69    56    57    58    61    65    50    51    52  
   51    52    53    56    61    62    63    65    66    67    68  
   52    61    65    66    67  
   61    65    66    67  
   54    55    59    60    64    68    56    57    58    61    62    63    65  
   55    59    60    64    68    69    56    57    58    61  
   59    60    64    56  
   57    58    61    62    63    65    66    67    59    68  
   58    61    62    63    65  
   61    62    63    65  
   60    64    68    69    70  
   64    68    69  
   62    63    65    66    67  
   63    65    66    67  
   65    66    67  
   68    69    70    71    72    73  
   66    67  
   67  
    0  
   69    70  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.285000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.2500   0.1700  -0.200000   2.2900   2.0360   0.003973653   1.685851020
   62   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    47   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   320.000  1.410
   47    49   317.000  1.510
   47    50   268.000  1.529
   49    53   490.000  1.398
   49    68   490.000  1.398
   53    54   469.000  1.400
   53    56   317.000  1.510
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    68   469.000  1.400
   64    69   450.000  1.364
   68    48   450.000  1.364
   69    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   367.000  1.471
   61    62   434.000  1.010
   61    63   434.000  1.010
   61    65   367.000  1.471
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    50   268.000  1.529
   50    51   340.000  1.090
   50    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  112.20000
   29    33    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    45    58.35000  112.70000
   33    47    49    70.00000  112.17500
   33    47    50    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    45.00000  110.52000
   40    42    45    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    45    46    37.50000  110.70000
   42    45    47    58.35000  112.70000
   42    45    48    50.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    37.50000  110.70000
   45    42    44    37.50000  110.70000
   45    47    49    70.00000  112.17500
   45    47    50    58.35000  112.70000
   45    48    68    75.00000  111.00000
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    45    46    37.50000  110.70000
   47    49    53    70.00000  120.00000
   47    49    68    70.00000  120.00000
   47    50    65    58.35000  112.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   49    53    54    70.00000  112.88000
   49    53    56    80.00000  105.07000
   49    68    64    70.00000  112.88000
   49    68    48    70.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    59    63.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    61    75.00000  110.83300
   54    59    60    35.00000  120.00000
   54    59    64    63.00000  120.00000
   59    54    55    35.00000  120.00000
   59    64    68    63.00000  120.00000
   59    64    69    70.00000  120.00000
   64    59    60    35.00000  120.00000
   64    68    48    70.00000  120.00000
   64    69    70    75.00000  111.00000
   68    49    53    60.00000  130.80000
   48    45    46    35.00000  109.50000
   48    45    47    50.00000  109.50000
   69    64    68    70.00000  120.00000
   69    70    71    35.00000  109.50000
   69    70    72    35.00000  109.50000
   69    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   56    53    54    70.00000  120.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    65    75.00000  113.01200
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    50    80.00000  111.20000
   63    61    62    35.00000  109.50000
   65    61    62    35.00000  109.50000
   65    61    63    35.00000  109.50000
   65    50    51    37.50000  110.70000
   65    50    52    37.50000  110.70000
   67    65    66    33.00000  107.80000
   50    47    49    70.00000  112.17500
   50    65    66    37.50000  110.70000
   50    65    67    37.50000  110.70000
   52    50    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    45   0.44750  1.0 1.0
   29    33    47    45  -0.17800 -1.0 2.0
   29    33    47    45   0.20200  1.0 3.0
   29    33    47    49   0.56750  1.0 1.0
   29    33    47    49  -0.07550 -1.0 2.0
   29    33    47    49   0.20000  1.0 3.0
   29    33    47    50   0.44750  1.0 1.0
   29    33    47    50  -0.17800 -1.0 2.0
   29    33    47    50   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    47    49    53   0.04150 -1.0 2.0
   33    47    49    68   0.04150 -1.0 2.0
   33    47    50    65   0.56750  1.0 1.0
   33    47    50    65  -0.07550 -1.0 2.0
   33    47    50    65   0.20000  1.0 3.0
   33    47    50    51   0.15000  1.0 3.0
   33    47    50    52   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    45   0.15000  1.0 3.0
   34    33    47    49   0.43200  1.0 3.0
   34    33    47    50   0.15000  1.0 3.0
   38    33    47    45   0.34400  1.0 1.0
   38    33    47    45   0.09450 -1.0 2.0
   38    33    47    45   0.11100  1.0 3.0
   38    33    47    49   0.21200  1.0 1.0
   38    33    47    49   0.16900 -1.0 2.0
   38    33    47    49  -1.15100  1.0 3.0
   38    33    47    50   0.34400  1.0 1.0
   38    33    47    50   0.09450 -1.0 2.0
   38    33    47    50   0.11100  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40   -42    45   0.09850  1.0 1.0
   38    40   -42    45   0.15250 -1.0 2.0
   38    40   -42    45  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    47   0.34400  1.0 1.0
   40    42    45    47   0.09450 -1.0 2.0
   40    42    45    47   0.11100  1.0 3.0
   40    42    45    48   0.61850  1.0 1.0
   40    42    45    48  -0.22750 -1.0 2.0
   40    42    45    48   0.15300  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   42    45   -47    33   0.56750  1.0 1.0
   42    45   -47    33  -0.07550 -1.0 2.0
   42    45   -47    33   0.20000  1.0 3.0
   42    45    47    49  -0.03700  1.0 1.0
   42    45    47    49   0.37200 -1.0 2.0
   42    45    47    49  -0.47300  1.0 3.0
   42    45    47    50   0.56750  1.0 1.0
   42    45    47    50  -0.07550 -1.0 2.0
   42    45    47    50   0.20000  1.0 3.0
   42    45    48    68  -0.32850  1.0 1.0
   42    45    48    68  -0.35800 -1.0 2.0
   42    45    48    68   0.33950  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    48   0.23400  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    48   0.23400  1.0 3.0
   45    47    49    53   0.04150 -1.0 2.0
   45    47   -49    68   0.04150 -1.0 2.0
   45    47    50    65   0.56750  1.0 1.0
   45    47    50    65  -0.07550 -1.0 2.0
   45    47    50    65   0.20000  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    52   0.15000  1.0 3.0
   46    45    47    33   0.15000  1.0 3.0
   46    45    47    49   0.43200  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    48    68   0.08050  1.0 3.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
   47    45   -48    68  -0.32850  1.0 1.0
   47    45   -48    68  -0.35800 -1.0 2.0
   47    45   -48    68   0.33950  1.0 3.0
   47    49    53    54   3.62500 -1.0 2.0
   47    49    53    56   3.62500 -1.0 2.0
   47    49    68    64   3.62500 -1.0 2.0
   47    49   -68    48   3.62500 -1.0 2.0
   49    47    50    65  -0.03700  1.0 1.0
   49    47    50    65   0.37200 -1.0 2.0
   49    47    50    65  -0.47300  1.0 3.0
   49    47    50    51   0.43200  1.0 3.0
   49    47    50    52   0.43200  1.0 3.0
   49    53    54    55   3.62500 -1.0 2.0
   49    53    54    59   3.62500 -1.0 2.0
   49    53    56    57   0.00000  1.0 1.0
   49    53    56    58   0.00000  1.0 1.0
   49    53    56    61  -0.46400 -1.0 2.0
   49    68   -48    45   1.63200 -1.0 2.0
   53    49    68    64   3.62500 -1.0 2.0
   53    49    68    48   3.62500 -1.0 2.0
   53    54    59    60   3.62500 -1.0 2.0
   53    54   -59    64   3.62500 -1.0 2.0
   53    56    61    62   0.17350  1.0 3.0
   53    56    61    63   0.17350  1.0 3.0
   53    56    61    65   0.03550  1.0 1.0
   53    56    61    65   0.09800 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    61  -0.46400 -1.0 2.0
   54    59    64    68   3.62500 -1.0 2.0
   54    59    64    69   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    54    59    64   3.62500 -1.0 2.0
   59    64   -68    49   3.62500 -1.0 2.0
   59    64    68    48   3.62500 -1.0 2.0
   59    64    69    70   1.63200 -1.0 2.0
   60    59    64    68   3.62500 -1.0 2.0
   60    59    64    69   3.62500 -1.0 2.0
   64    68    48    45   1.63200 -1.0 2.0
   64    69    70    71   0.08050  1.0 3.0
   64    69    70    72   0.08050  1.0 3.0
   64    69    70    73   0.08050  1.0 3.0
   68    49   -53    54   3.62500 -1.0 2.0
   68    49    53    56   3.62500 -1.0 2.0
   68    64    69    70   1.63200 -1.0 2.0
   48    45    47    33   0.62750  1.0 1.0
   48    45    47    33  -0.30950 -1.0 2.0
   48    45    47    33   0.27300  1.0 3.0
   48    45   -47    49  -0.64350  1.0 1.0
   48    45   -47    49  -0.04200 -1.0 2.0
   48    45   -47    49   0.19800  1.0 3.0
   48    45    47    50   0.62750  1.0 1.0
   48    45    47    50  -0.30950 -1.0 2.0
   48    45    47    50   0.27300  1.0 3.0
   69    64    68    49   3.62500 -1.0 2.0
   69    64    68    48   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    59   3.62500 -1.0 2.0
   56    61    65    66   0.15000  1.0 3.0
   56    61    65    67   0.15000  1.0 3.0
   56    61    65    50   0.47100  1.0 1.0
   57    56    61    62   0.13050  1.0 3.0
   57    56    61    63   0.13050  1.0 3.0
   57    56    61    65   0.15000  1.0 3.0
   58    56    61    62   0.13050  1.0 3.0
   58    56    61    63   0.13050  1.0 3.0
   58    56    61    65   0.15000  1.0 3.0
   61    65    50    47   1.36600  1.0 1.0
   61    65    50    47  -0.11450 -1.0 2.0
   61    65    50    47   0.24250  1.0 3.0
   61    65    50    51   0.19200  1.0 3.0
   61    65    50    52   0.19200  1.0 3.0
   62    61    65    66   0.13050  1.0 3.0
   62    61    65    67   0.13050  1.0 3.0
   62    61    65    50   0.17350  1.0 3.0
   63    61    65    66   0.13050  1.0 3.0
   63    61    65    67   0.13050  1.0 3.0
   63    61    65    50   0.17350  1.0 3.0
   66    65    50    47   0.15000  1.0 3.0
   66    65    50    51   0.15000  1.0 3.0
   66    65    50    52   0.15000  1.0 3.0
   67    65    50    47   0.15000  1.0 3.0
   67    65    50    51   0.15000  1.0 3.0
   67    65    50    52   0.15000  1.0 3.0
   50    47    49    53   0.04150 -1.0 2.0
   50    47    49    68   0.04150 -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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   53    68    49    47   4.00000 -1.0 2.0
   54    56    53    49   4.00000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   64    60    59    54   1.10000 -1.0 2.0
   68    69    64    59   4.00000 -1.0 2.0
   64    48    68    49   4.00000 -1.0 2.0
END
