* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    142    221     423
    1     0 S   NP   _N1_     1    28.70301    93.77131   -23.55705
    2     1 S   H    _HN1     2     1.02779   105.83804   -88.19010
    3     1 S   H    _H1_     3     1.02960    88.75238    20.51343
    4     1 S   H    _H2_     4     1.02836    20.71011   173.01865
    5     1 S   CT   _CA1     5     1.50120   127.99972   135.67542
    6     5 S   HC   _HA1     6     1.09576   105.22757    72.43256
    7     5 S   CO3  _C1_     7     1.53779   112.37665   -47.76329
    8     7 S   O2Z  _O11     8     1.26358   115.00523   -44.34926
    9     7 S   O2Z  _O12     9     1.26238   114.91729   134.80738
   10     5 S   CT   _CB1    10     1.53095   107.42451  -169.68504
   11    10 S   HC   HB11    11     1.09826   109.30313   -50.99779
   12    10 S   HC   HB12    12     1.09818   110.43231    65.54062
   13    10 S   CT   _CG1    13     1.53013   112.68304  -172.10395
   14    13 S   HC   HG11    14     1.09596   110.45297   -64.28584
   15    13 S   HC   HG12    15     1.09656   109.96732    54.93386
   16    13 S   C    _CD1    16     1.51823   112.31582   175.26401
   17    16 S   O    _OE1    17     1.22726   123.26692    -1.26316
   18    16 S   N    _N2_    18     1.38636   111.65263   178.95695
   19    18 S   H    _HN2    19     1.01585   119.04001     0.96246
   20    18 S   CT1  _CA2    20     1.46164   123.35796   179.48262
   21    20 S   HC   _HA2    21     1.09728   109.41832    -5.75868
   22    20 S   C    _C2_    22     1.53504   108.41457  -121.46341
   23    22 S   O    _O2_    23     1.23040   122.17726  -145.76917
   24    20 S   CT   _CB2    32     1.53432   111.73276   116.31921
   25    24 S   HC   HB21    33     1.09377   109.36979    56.53875
   26    24 S   HC   HB22    34     1.09463   109.78234   175.56730
   27    22 S   N    _N3_    24     1.38469   113.49658    41.50170
   28    27 S   H    _HN3    25     1.01508   118.96007    -0.56475
   29    24 S   S    _SG2    35     1.82390   111.96559   -63.61100
   30    27 S   CT   _CA3    26     1.45455   123.51150   175.24911
   31    30 S   HC   HA31    27     1.09519   109.32621    22.70187
   32    30 S   HC   HA32    28     1.09499   107.09955   139.72175
   33    29 S   CT   _C14    36     1.85782   100.94846  -158.51101
   34    33 S   HC   _H12    37     1.09522   106.56500    43.57411
   35    30 S   CO3  _C3_    29     1.52915   113.05239  -100.83759
   36    35 S   O2Z  _O31    30     1.26407   115.38224   -44.72224
   37    35 S   O2Z  _O32    31     1.26350   114.98923   136.19526
   38    33 S   CT   _C10    38     1.54747   113.78750   -77.83770
   39    38 S   HC   _H8_    39     1.09880   108.77149   175.73814
   40    38 S   CT   _C11    40     1.53540   110.45280   -66.73484
   41    40 S   HC   _H9_    41     1.09583   109.49213    68.05355
   42    38 S   OS   _O35    56     1.43090   112.47237    55.84105
   43    40 S   CO   _C12    42     1.53589   110.53166   -53.54369
   44    43 S   HC   _H10    43     1.09573   108.88815   172.60447
   45    40 S   OH   _O39    54     1.42789   109.52349  -175.12476
   46    45 S   HO   _H19    55     0.97207   107.61527   179.08080
   47    42 S   CO   _C9_    57     1.43444   113.74125    87.87085
   48    47 S   HC   _H7_    58     1.09634   107.97011   -50.17933
   49    43 S   OS   _O36    44     1.42758   111.30868    53.52378
   50    43 S   OH   _O38    52     1.42627   110.25365   -70.31738
   51    50 S   HO   _H18    53     0.97204   106.72579  -156.92195
   52    47 S   CT   _C8_    59     1.54700   109.12441  -167.70041
   53    52 S   HC   _H6_    60     1.09518   108.53538    74.33619
   54    33 S   CT   _C13    45     1.54778   109.86666   161.16547
   55    54 S   HC   _H11    46     1.09864   108.93320  -175.73088
   56    52 S   CT   _C7_    61     1.53428   110.39800  -163.95222
   57    56 S   HC   _H5_    62     1.09429   112.32858  -176.71759
   58    52 S   OH   _O40    74     1.42759   110.48963   -43.06621
   59    58 S   HO   _H20    75     0.97248   107.49558   174.35222
   60    54 S   CT   _C15    47     1.53204   114.25130   -55.87322
   61    60 S   HC   _H15    48     1.09412   111.96024    77.22103
   62    60 S   HC   _H16    49     1.09431   111.09181   -46.13170
   63    56 S   CT   _C6_    63     1.52321   108.99897    57.70065
   64    63 S   HC   _H4_    64     1.09406   113.85957    48.47590
   65    60 S   OH   _O37    50     1.42673   108.84848  -164.60578
   66    65 S   HO   _H17    51     0.97242   106.97809  -178.53620
   67    63 S   CT   _C5_    65     1.51071    98.01864   -71.94602
   68    67 S   HC   _H3_    66     1.09355   113.89687  -164.98947
   69    63 S   OH   _O41    72     1.42035   111.18367   172.02651
   70    69 S   HO   _H21    73     0.97249   107.45118   -64.47000
   71    67 S   CT   _C4_    67     1.52642   101.62417   -44.86706
   72    71 S   HC   _H13    68     1.09344   113.81250   151.76574
   73    71 S   HC   _H14    69     1.09480   111.70488   -84.05228
   74    47 S   OS   _O34    71     1.43932   111.71326    68.01447
   75    56 S   OS   _O33    70     1.44661   108.12780   -55.82823
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  17   7  11   7  11   9   5   3   1  13   6
   8   2   1  12   7   6   4  14   7   4   1   4   3   2  10   7
   1   1   8   6   4   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    54    55    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    54    55    60    61    62    65    45    42    47  
   38    39    40    49    54    55    60    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    54    55    60    50    45    46    42    47    48    52    74  
   40    41    43    54    45    42    47  
   41    43    44    49    54    50    51    45    46    42    47  
   43    44    49    50    45    46    42  
   47    48    52    53    56    67    74    58    43    45    54  
   44    49    54    55    60    50    51    45    46  
   49    54    50    51    45  
   46    49    50  
    0  
   48    52    53    56    57    63    67    68    71    75    74    58    59  
   52    53    56    67    74    58  
   54    55    60    61    62    65    50    51  
   51    54  
    0  
   53    56    57    63    64    67    71    75    74    69    58    59  
   56    57    63    75    74    58    59  
   55    60    61    62    65    66  
   60    61    62    65  
   57    63    64    67    68    71    72    73    75    74    69    70    58    59  
   63    64    67    71    75    69    58  
   59    63    74    75  
    0  
   61    62    65    66  
   62    65    66  
   65    66  
   64    67    68    71    72    73    75    74    69    70  
   67    68    71    75    74    69    70  
   66  
    0  
   68    71    72    73    75    74    69    70  
   71    72    73    75    74    69  
   70    71    74    75  
    0  
   72    73    75    74  
   73    75    74  
   75    74  
   75  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   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
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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    54   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   250.000  1.527
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   320.000  1.380
   43    50   380.000  1.407
   49    54   320.000  1.410
   54    55   340.000  1.090
   54    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   320.000  1.410
   65    66   553.000  0.945
   50    51   553.000  0.945
   45    46   553.000  0.945
   42    47   320.000  1.380
   47    48   340.000  1.090
   47    52   250.000  1.527
   47    74   320.000  1.380
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    58   320.000  1.410
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    75   320.000  1.410
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    69   320.000  1.410
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   320.000  1.410
   69    70   553.000  0.945
   58    59   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    54    49    50.00000  109.50000
   33    54    55    37.50000  110.70000
   33    54    60    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    75.00000  109.43000
   38    40    45    50.00000  109.50000
   38    42    47    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    43    44    45.00000  112.01100
   40    43    49    90.00000  108.56700
   40    43    50    90.00000  110.19100
   40    45    46    55.00000  108.50000
   43    40    41    45.00000  108.72000
   43    49    54    60.00000  109.50000
   43    50    51    70.00000  107.92000
   49    43    44    35.00000  109.50000
   49    54    55    35.00000  109.50000
   49    54    60    50.00000  109.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    65    50.00000  109.50000
   60    54    55    37.50000  110.70000
   60    65    66    55.00000  108.50000
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   50    43    44    60.00000  108.02500
   50    43    49   110.00000  112.08000
   45    40    41    35.00000  109.50000
   45    40    43    90.00000  111.58700
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    52    90.00000  108.56700
   42    47    74    92.60000  111.55000
   47    52    53    45.00000  108.72000
   47    52    56    75.00000  109.43000
   47    52    58    90.00000  111.58700
   47    74    67    60.00000  109.50000
   52    47    48    45.00000  112.01100
   52    56    57    37.50000  110.70000
   52    56    63    58.35000  112.70000
   52    56    75    50.00000  109.50000
   52    58    59    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    67    58.35000  112.70000
   56    63    69    50.00000  109.50000
   56    75    71    60.00000  109.50000
   63    56    57    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    74    50.00000  109.50000
   63    69    70    55.00000  108.50000
   67    63    64    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    75    50.00000  109.50000
   71    67    68    37.50000  110.70000
   73    71    72    33.00000  107.80000
   75    56    57    35.00000  109.50000
   75    56    63    50.00000  109.50000
   75    71    72    35.00000  109.50000
   75    71    73    35.00000  109.50000
   74    47    48    35.00000  109.50000
   74    47    52    90.00000  108.56700
   74    67    68    35.00000  109.50000
   74    67    71    50.00000  109.50000
   69    63    64    35.00000  109.50000
   69    63    67    50.00000  109.50000
   58    52    53    35.00000  109.50000
   58    52    56    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    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    54    49   0.56750  1.0 1.0
   29    33    54    49  -0.07550 -1.0 2.0
   29    33    54    49   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    60   0.44750  1.0 1.0
   29    33    54    60  -0.17800 -1.0 2.0
   29    33    54    60   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   3.97050  1.0 1.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47   0.06250  1.0 1.0
   33    38    42    47  -0.01100 -1.0 2.0
   33    38    42    47   0.28050  1.0 3.0
   33    54    60    61   0.15000  1.0 3.0
   33    54    60    62   0.15000  1.0 3.0
   33    54    60    65   0.86500  1.0 1.0
   33    54    60    65  -0.17500 -1.0 2.0
   33    54    60    65   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    54    49   0.23400  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    60   0.15000  1.0 3.0
   38    33    54    49   0.62750  1.0 1.0
   38    33    54    49  -0.30950 -1.0 2.0
   38    33    54    49   0.27300  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    60   0.56750  1.0 1.0
   38    33    54    60  -0.07550 -1.0 2.0
   38    33    54    60   0.20000  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.62750  1.0 1.0
   38    40   -43    49  -0.30950 -1.0 2.0
   38    40   -43    49   0.27300  1.0 3.0
   38    40    43    50   0.86500  1.0 1.0
   38    40    43    50  -0.17500 -1.0 2.0
   38    40    43    50   0.20800  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.37050  1.0 3.0
   38    42    47    52   0.06250  1.0 1.0
   38    42    47    52  -0.01100 -1.0 2.0
   38    42    47    52   0.28050  1.0 3.0
   38    42    47    74  -0.53350  1.0 1.0
   38    42    47    74  -0.78350 -1.0 2.0
   38    42    47    74   0.33750  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    47   0.37050  1.0 3.0
   40    38    42    47   0.06250  1.0 1.0
   40    38    42    47  -0.01100 -1.0 2.0
   40    38    42    47   0.28050  1.0 3.0
   40    43    49    54   0.06250  1.0 1.0
   40    43    49    54  -0.01100 -1.0 2.0
   40    43    49    54   0.28050  1.0 3.0
   40    43    50    51  -0.11600  1.0 1.0
   40    43    50    51  -0.09450 -1.0 2.0
   40    43    50    51   0.21250  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.23400  1.0 3.0
   41    40    43    50   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    49   -54    33   0.06250  1.0 1.0
   43    49   -54    33  -0.01100 -1.0 2.0
   43    49   -54    33   0.28050  1.0 3.0
   43    49    54    55   0.37050  1.0 3.0
   43    49    54    60   0.06250  1.0 1.0
   43    49    54    60  -0.01100 -1.0 2.0
   43    49    54    60   0.28050  1.0 3.0
   44    43    49    54   0.37050  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   49    43    50    51  -0.50000  1.0 1.0
   49    43    50    51  -0.73950 -1.0 2.0
   49    43    50    51   0.17150  1.0 3.0
   49    54    60    61   0.23400  1.0 3.0
   49    54    60    62   0.23400  1.0 3.0
   49    54    60    65   3.69350  1.0 1.0
   49    54    60    65  -1.82950 -1.0 2.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.62750  1.0 1.0
   54    33    38    42  -0.30950 -1.0 2.0
   54    33    38    42   0.27300  1.0 3.0
   54    60    65    66  -0.11600  1.0 1.0
   54    60    65    66  -0.09450 -1.0 2.0
   54    60    65    66   0.21250  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    65   0.23400  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   62    60    65    66   0.19450  1.0 3.0
   50    43    49    54  -0.81800  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   3.69350  1.0 1.0
   45    40    43    49  -1.82950 -1.0 2.0
   45    40    43    50   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
   42    47    52    53   0.23400  1.0 3.0
   42    47    52    56   0.62750  1.0 1.0
   42    47    52    56  -0.30950 -1.0 2.0
   42    47    52    56   0.27300  1.0 3.0
   42    47    52    58   3.69350  1.0 1.0
   42    47    52    58  -1.82950 -1.0 2.0
   42    47    74    67  -0.53350  1.0 1.0
   42    47    74    67  -0.78350 -1.0 2.0
   42    47    74    67   0.33750  1.0 3.0
   47    52    56    57   0.15000  1.0 3.0
   47    52    56    63   3.97050  1.0 1.0
   47    52    56    75   0.62750  1.0 1.0
   47    52    56    75  -0.30950 -1.0 2.0
   47    52    56    75   0.27300  1.0 3.0
   47    52    58    59  -0.11600  1.0 1.0
   47    52    58    59  -0.09450 -1.0 2.0
   47    52    58    59   0.21250  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    56   0.15000  1.0 3.0
   48    47    52    58   0.23400  1.0 3.0
   48    47    74    67   0.37050  1.0 3.0
   52    47    74    67   0.06250  1.0 1.0
   52    47    74    67  -0.01100 -1.0 2.0
   52    47    74    67   0.28050  1.0 3.0
   52    56    63    64   0.15000  1.0 3.0
   52    56   -63    67   0.56750  1.0 1.0
   52    56   -63    67  -0.07550 -1.0 2.0
   52    56   -63    67   0.20000  1.0 3.0
   52    56    63    69   0.86500  1.0 1.0
   52    56    63    69  -0.17500 -1.0 2.0
   52    56    63    69   0.20800  1.0 3.0
   52    56    75    71   0.06250  1.0 1.0
   52    56    75    71  -0.01100 -1.0 2.0
   52    56    75    71   0.28050  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    63   0.15000  1.0 3.0
   53    52    56    75   0.23400  1.0 3.0
   53    52    58    59   0.19450  1.0 3.0
   56    52    58    59  -0.11600  1.0 1.0
   56    52    58    59  -0.09450 -1.0 2.0
   56    52    58    59   0.21250  1.0 3.0
   56    63    67    68   0.15000  1.0 3.0
   56    63   -67    71   0.56750  1.0 1.0
   56    63   -67    71  -0.07550 -1.0 2.0
   56    63   -67    71   0.20000  1.0 3.0
   56    63    67    74   0.62750  1.0 1.0
   56    63    67    74  -0.30950 -1.0 2.0
   56    63    67    74   0.27300  1.0 3.0
   56    63    69    70  -0.11600  1.0 1.0
   56    63    69    70  -0.09450 -1.0 2.0
   56    63    69    70   0.21250  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    67   0.15000  1.0 3.0
   57    56    63    69   0.23400  1.0 3.0
   57    56    75    71   0.37050  1.0 3.0
   63    56   -75    71   0.06250  1.0 1.0
   63    56   -75    71  -0.01100 -1.0 2.0
   63    56   -75    71   0.28050  1.0 3.0
   63    67    71    72   0.15000  1.0 3.0
   63    67    71    73   0.15000  1.0 3.0
   63    67   -71    75   0.62750  1.0 1.0
   63    67   -71    75  -0.30950 -1.0 2.0
   63    67   -71    75   0.27300  1.0 3.0
   63    67   -74    47   0.06250  1.0 1.0
   63    67   -74    47  -0.01100 -1.0 2.0
   63    67   -74    47   0.28050  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    71   0.15000  1.0 3.0
   64    63    67    74   0.23400  1.0 3.0
   64    63    69    70   0.19450  1.0 3.0
   67    63    69    70  -0.11600  1.0 1.0
   67    63    69    70  -0.09450 -1.0 2.0
   67    63    69    70   0.21250  1.0 3.0
   67    71   -75    56   0.06250  1.0 1.0
   67    71   -75    56  -0.01100 -1.0 2.0
   67    71   -75    56   0.28050  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    75   0.23400  1.0 3.0
   68    67    74    47   0.37050  1.0 3.0
   71    67    74    47   0.06250  1.0 1.0
   71    67    74    47  -0.01100 -1.0 2.0
   71    67    74    47   0.28050  1.0 3.0
   72    71    75    56   0.37050  1.0 3.0
   73    71    75    56   0.37050  1.0 3.0
   75    56    63    64   0.23400  1.0 3.0
   75    56   -63    67   0.62750  1.0 1.0
   75    56   -63    67  -0.30950 -1.0 2.0
   75    56   -63    67   0.27300  1.0 3.0
   75    56    63    69   3.69350  1.0 1.0
   75    56    63    69  -1.82950 -1.0 2.0
   74    47    52    53   0.23400  1.0 3.0
   74    47   -52    56   0.62750  1.0 1.0
   74    47   -52    56  -0.30950 -1.0 2.0
   74    47   -52    56   0.27300  1.0 3.0
   74    47    52    58   3.69350  1.0 1.0
   74    47    52    58  -1.82950 -1.0 2.0
   74    67    71    72   0.23400  1.0 3.0
   74    67    71    73   0.23400  1.0 3.0
   74    67    71    75   1.11900  1.0 1.0
   74    67    71    75  -1.16350 -1.0 2.0
   74    67    71    75  -0.34150  1.0 3.0
   69    63    67    68   0.23400  1.0 3.0
   69    63    67    71   0.86500  1.0 1.0
   69    63    67    71  -0.17500 -1.0 2.0
   69    63    67    71   0.20800  1.0 3.0
   69    63    67    74   3.69350  1.0 1.0
   69    63    67    74  -1.82950 -1.0 2.0
   58    52    56    57   0.23400  1.0 3.0
   58    52    56    63   0.86500  1.0 1.0
   58    52    56    63  -0.17500 -1.0 2.0
   58    52    56    63   0.20800  1.0 3.0
   58    52    56    75   3.69350  1.0 1.0
   58    52    56    75  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
