* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    240     432
    1     0 S   NP   _N1_     1    28.83946    97.04984   -21.25755
    2     1 S   H    _HN1     2     1.02952    73.23990    22.01363
    3     1 S   H    _H1_     3     1.02829    46.90207   156.58615
    4     1 S   H    _H2_     4     1.02783    89.00222   -87.50240
    5     1 S   CT   _CA1     5     1.50102   154.73912   124.44549
    6     5 S   HC   _HA1     6     1.09572   105.22775    83.75728
    7     5 S   CO3  _C1_     7     1.53810   112.42955   -36.51439
    8     7 S   O2Z  _O11     8     1.26370   115.01294   -43.24156
    9     7 S   O2Z  _O12     9     1.26243   114.95180   135.96206
   10     5 S   CT   _CB1    10     1.53090   107.42909  -158.25011
   11    10 S   HC   HB11    11     1.09828   109.43037   -49.92192
   12    10 S   HC   HB12    12     1.09816   110.41598    66.69784
   13    10 S   CT   _CG1    13     1.52972   112.57414  -170.92942
   14    13 S   HC   HG11    14     1.09591   110.54511   -63.83704
   15    13 S   HC   HG12    15     1.09665   109.87677    55.37788
   16    13 S   C    _CD1    16     1.51790   112.33920   175.84126
   17    16 S   O    _OE1    17     1.22715   123.33141     2.34518
   18    16 S   N    _N2_    18     1.38634   111.56196  -177.71827
   19    18 S   H    _HN2    19     1.01581   118.93745     2.21160
   20    18 S   CT1  _CA2    20     1.46224   123.46925   178.94575
   21    20 S   HC   _HA2    21     1.09737   109.41454    -0.47642
   22    20 S   C    _C2_    22     1.53510   108.54561  -115.98857
   23    22 S   O    _O2_    23     1.23048   122.32600  -148.00737
   24    20 S   CT   _CB2    32     1.53497   111.38549   121.56797
   25    24 S   HC   HB21    33     1.09357   109.38221    55.73196
   26    24 S   HC   HB22    34     1.09397   109.80937   174.73095
   27    22 S   N    _N3_    24     1.38351   113.64028    39.48051
   28    27 S   H    _HN3    25     1.01603   119.55399    -3.44719
   29    24 S   S    _SG2    35     1.82902   111.04296   -65.60794
   30    27 S   CT   _CA3    26     1.45286   123.15755   177.03436
   31    30 S   HC   HA31    27     1.09551   107.51783   -64.14688
   32    30 S   HC   HA32    28     1.09558   107.96264    52.27098
   33    29 S   CT   _C16    36     1.86111   102.06690   171.16716
   34    30 S   CO3  _C3_    29     1.52944   114.12286   174.26062
   35    34 S   O2Z  _O31    30     1.26370   116.07084    -0.76821
   36    34 S   O2Z  _O32    31     1.26431   114.40915   179.28976
   37    33 S   CT   _C10    37     1.58761   108.14890  -175.51271
   38    37 S   HC   _H29    38     1.09992   107.22971    32.87787
   39    33 S   CT   _C18    71     1.54074   108.96924    60.57535
   40    39 S   HC   _H36    72     1.09485   112.22101   -68.17263
   41    39 S   HC   _H37    73     1.09418   111.87883   172.40793
   42    39 S   HC   _H38    74     1.09487   112.27565    52.21297
   43    37 S   CT   _C11    39     1.53811   116.95843   -88.99314
   44    43 S   HC   _H30    40     1.09805   110.70932   -67.99463
   45    37 S   C3T  _C14    57     1.52048   105.05796   145.71000
   46    43 S   CT   _C9_    41     1.52563   112.13059   166.93891
   47    46 S   HC   _H28    42     1.09839   109.75313   -36.50978
   48    45 S   C3T  _C12    58     1.49395   107.75395   -18.63854
   49    48 S   HC   _H31    59     1.07588   123.31728  -143.01664
   50    46 S   CM   _C4_    43     1.49373   100.44613  -147.96668
   51    46 S   CT   _C7_    50     1.52893   115.58913    87.19322
   52    51 S   HC   _H24    51     1.09897   107.68766  -164.89910
   53    51 S   HC   _H25    52     1.09860   110.14442    80.98889
   54    33 S   CT   _C13    60     1.56450   110.21351   -64.04773
   55    54 S   HC   _H32    61     1.09677   111.52065   -26.95086
   56    45 S   O3T  _O18    64     1.44254   115.22768    43.90141
   57    50 S   CO4  _C5_    44     1.47559   108.28815    23.18224
   58    57 S   O    _O16    45     1.21724   127.18936   169.66126
   59    50 S   CM   _C6_    47     1.33603   130.15314  -155.89245
   60    59 S   HC   _H22    48     1.08463   121.16942    -0.90741
   61    59 S   HC   _H23    49     1.08533   121.65063   179.44574
   62    51 S   CT   _C8_    53     1.53376   118.01026   -42.36271
   63    62 S   HC   _H26    54     1.09831   108.61712    90.61864
   64    62 S   HC   _H27    55     1.09890   105.76104  -156.89231
   65    54 S   OH   _O19    62     1.41867   113.01681    95.56743
   66    65 S   HO   _H39    63     0.97237   107.64645   177.43906
   67    43 S   OS   _O17    46     1.44125   109.98979    50.73659
   68    62 S   CT   _C15    56     1.54360   117.91610   -34.32754
   69    68 S   CT   _C17    65     1.53881   108.46251  -157.13456
   70    69 S   HC   _H33    66     1.09570   111.28185   176.22820
   71    69 S   HC   _H34    67     1.09658   110.76291    59.01818
   72    69 S   HC   _H35    68     1.09482   112.12104   -62.05235
   73    68 S   OH   _O20    69     1.42881   109.28092   -41.58922
   74    73 S   HO   _H40    70     0.97269   107.97066  -178.27933
  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  13   5   4   3
  19   2   1   1  24  10   9   3   2   1  17   7  19  15   8  10
   5  10  11   5   4   5   3   5   5   2   3   1   1   9   4   3
   1   1   1   6   5   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    48    54    55    65    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    46    67    68    45    48    49    54    55    65    66    56    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    46    47    50    57    67    51    62    68    45    48    49    54    55    65    56    69    73    39    40    41    42  
   43    44    46    67    68    45    48    54    56    39  
   40    41    42    43    45    48    54    55    65  
   41    42    54  
   42    54  
   54  
   44    46    47    50    57    58    67    59    51    52    53    62    68    45    48    54    56  
   46    47    50    57    67    51    45  
   48    49    54    55    65    56    69    70    71    72    73    74    46    51    62    63    64    67    68  
   47    50    57    58    67    59    60    61    51    52    53    62    63    64    68  
   50    57    67    59    51    52    53    62  
   49    54    55    65    66    56    69    73    62    68  
   54    55    65    56    68  
   57    58    67    59    60    61    51    52    53    62  
   52    53    62    63    64    68    69    73    57    59    67  
   53    62    63    64    68  
   62    63    64    68  
   55    65    66    56    68  
   65    66    56  
   69    73    62    65    68  
   58    67    59    60    61  
   67    59  
   60    61    67  
   61  
    0  
   63    64    68    69    70    71    72    73    74  
   64    68    69    73  
   68    69    73  
   66  
    0  
    0  
   69    70    71    72    73    74  
   70    71    72    73    74  
   71    72    73  
   72    73  
   73  
   74  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    54   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   275.000  1.510
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    67   320.000  1.410
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    51   268.000  1.529
   50    57   320.000  1.462
   50    59   549.000  1.340
   57    58   570.000  1.229
   57    67   214.000  1.327
   59    60   340.000  1.080
   59    61   340.000  1.080
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    45   275.000  1.510
   68    69   268.000  1.529
   68    73   320.000  1.410
   45    48   260.000  1.509
   45    56   335.000  1.432
   48    49   340.000  1.088
   48    54   275.000  1.510
   48    56   335.000  1.432
   54    55   340.000  1.090
   54    65   320.000  1.410
   65    66   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    54    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    70.00000  112.37300
   33    54    48    70.00000  112.37300
   33    54    55    37.50000  110.70000
   33    54    65    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    46    58.35000  112.70000
   37    43    67    50.00000  109.50000
   37    45    68    58.35000  112.70000
   37    45    48    60.00000  120.94000
   37    45    56    80.00000  116.47100
   43    37    38    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    50    70.00000  112.02700
   43    46    51    58.35000  112.70000
   43    67    57    83.00000  116.90000
   46    43    44    37.50000  110.70000
   46    50    57    65.00000  116.34900
   46    50    59    70.00000  124.00000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    62    58.35000  112.70000
   50    46    47    35.00000  109.50000
   50    57    58    80.00000  123.72100
   50    57    67    90.00000  111.29400
   50    59    60    35.00000  120.00000
   50    59    61    35.00000  120.00000
   67    43    44    35.00000  109.50000
   67    43    46    50.00000  109.50000
   67    57    58    83.00000  123.40000
   59    50    57    65.00000  118.96000
   61    59    60    35.00000  117.00000
   51    46    47    37.50000  110.70000
   51    46    50    70.00000  112.02700
   51    62    63    37.50000  110.70000
   51    62    64    37.50000  110.70000
   51    62    68    58.35000  112.70000
   53    51    52    33.00000  107.80000
   62    51    52    37.50000  110.70000
   62    51    53    37.50000  110.70000
   62    68    45    70.00000  112.37300
   62    68    69    58.35000  112.70000
   62    68    73    50.00000  109.50000
   64    62    63    33.00000  107.80000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    45    48    60.00000  120.94000
   68    45    56    80.00000  116.47100
   68    69    70    37.50000  110.70000
   68    69    71    37.50000  110.70000
   68    69    72    37.50000  110.70000
   68    73    74    55.00000  108.50000
   45    37    38    45.00000  109.38400
   45    37    43    70.00000  112.37300
   45    48    49    37.50000  117.20000
   45    48    54    60.00000  120.94000
   45    48    56    15.00000   60.43100
   45    56    48    15.00000   59.14900
   48    54    55    45.00000  109.38400
   48    54    65    50.00000  109.50000
   54    33    37    58.35000  112.70000
   54    48    49    40.00000  115.04500
   54    65    66    55.00000  108.50000
   65    54    55    35.00000  109.50000
   56    45    48    15.00000   60.43100
   56    48    49    50.00000  114.27700
   56    48    54    80.00000  116.47100
   69    68    45    70.00000  112.37300
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    68    45    50.00000  109.50000
   73    68    69    50.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    54    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    54    48   0.44750  1.0 1.0
   29    33    54    48  -0.17800 -1.0 2.0
   29    33    54    48   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    65   0.56750  1.0 1.0
   29    33    54    65  -0.07550 -1.0 2.0
   29    33    54    65   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    46   0.56750  1.0 1.0
   33    37    43    46  -0.07550 -1.0 2.0
   33    37    43    46   0.20000  1.0 3.0
   33    37    43    67   0.62750  1.0 1.0
   33    37    43    67  -0.30950 -1.0 2.0
   33    37    43    67   0.27300  1.0 3.0
   33    37    45    68   0.56750  1.0 1.0
   33    37    45    68  -0.07550 -1.0 2.0
   33    37    45    68   0.20000  1.0 3.0
   33    37   -45    48   0.07850  1.0 1.0
   33    37   -45    48  -0.03950 -1.0 2.0
   33    37   -45    48   0.67350  1.0 3.0
   33    37    45    56   0.02550  1.0 1.0
   33    37    45    56  -0.02600 -1.0 2.0
   33    37    45    56   1.20400  1.0 3.0
   33    54    65    66  -0.11600  1.0 1.0
   33    54    65    66  -0.09450 -1.0 2.0
   33    54    65    66   0.21250  1.0 3.0
   37    33   -54    48   0.47050  1.0 1.0
   37    33   -54    48   0.03900 -1.0 2.0
   37    33   -54    48   0.20100  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    65   0.86500  1.0 1.0
   37    33    54    65  -0.17500 -1.0 2.0
   37    33    54    65   0.20800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    46    47   0.15000  1.0 3.0
   37    43    46    50   0.34400  1.0 1.0
   37    43    46    50   0.09450 -1.0 2.0
   37    43    46    50   0.11100  1.0 3.0
   37    43    46    51   0.56750  1.0 1.0
   37    43    46    51  -0.07550 -1.0 2.0
   37    43    46    51   0.20000  1.0 3.0
   37    43    67    57  -0.25900  1.0 1.0
   37    43    67    57  -0.47000 -1.0 2.0
   37    43    67    57   0.11750  1.0 3.0
   37    45    48    49   0.15000  1.0 3.0
   37    45   -48    54   0.56750  1.0 1.0
   37    45   -48    54  -0.07550 -1.0 2.0
   37    45   -48    54   0.20000  1.0 3.0
   37    45   -48    56   0.02550  1.0 1.0
   37    45   -48    56  -0.02600 -1.0 2.0
   37    45   -48    56   1.20400  1.0 3.0
   37    45   -56    48   0.06250  1.0 1.0
   37    45   -56    48  -0.01100 -1.0 2.0
   37    45   -56    48   0.28050  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    46   0.15000  1.0 3.0
   38    37    43    67   0.23400  1.0 3.0
   38    37    45    68   0.15000  1.0 3.0
   38    37    45    48   0.15000  1.0 3.0
   38    37    45    56   0.23400  1.0 3.0
   43    37    45    68   0.56750  1.0 1.0
   43    37    45    68  -0.07550 -1.0 2.0
   43    37    45    68   0.20000  1.0 3.0
   43    37    45    48   0.07850  1.0 1.0
   43    37    45    48  -0.03950 -1.0 2.0
   43    37    45    48   0.67350  1.0 3.0
   43    37    45    56   0.02550  1.0 1.0
   43    37    45    56  -0.02600 -1.0 2.0
   43    37    45    56   1.20400  1.0 3.0
   43    46   -50    57   0.09700  1.0 1.0
   43    46   -50    57   0.15600 -1.0 2.0
   43    46   -50    57  -0.50800  1.0 3.0
   43    46    50    59   0.09850  1.0 1.0
   43    46    50    59   0.15250 -1.0 2.0
   43    46    50    59  -0.50650  1.0 3.0
   43    46    51    52   0.15000  1.0 3.0
   43    46    51    53   0.15000  1.0 3.0
   43    46    51    62   0.56750  1.0 1.0
   43    46    51    62  -0.07550 -1.0 2.0
   43    46    51    62   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    50   0.15000  1.0 3.0
   44    43    46    51   0.15000  1.0 3.0
   44    43    67    57   0.08050  1.0 3.0
   46    43   -67    57  -0.25900  1.0 1.0
   46    43   -67    57  -0.47000 -1.0 2.0
   46    43   -67    57   0.11750  1.0 3.0
   46    50    57    58  -0.64400  1.0 1.0
   46    50    57    58   0.26850 -1.0 2.0
   46    50   -57    67  -0.15000  1.0 1.0
   46    50   -57    67   0.89550 -1.0 2.0
   46    50   -57    67  -0.06900  1.0 3.0
   46    50    59    60   7.00000 -1.0 2.0
   46    50    59    61   7.00000 -1.0 2.0
   46    51    62    63   0.15000  1.0 3.0
   46    51    62    64   0.15000  1.0 3.0
   46    51    62    68   0.56750  1.0 1.0
   46    51    62    68  -0.07550 -1.0 2.0
   46    51    62    68   0.20000  1.0 3.0
   47    46    50    57   0.15000  1.0 3.0
   47    46    50    59   0.00000  1.0 1.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    62   0.15000  1.0 3.0
   50    46    51    52   0.15000  1.0 3.0
   50    46    51    53   0.15000  1.0 3.0
   50    46    51    62   0.34400  1.0 1.0
   50    46    51    62   0.09450 -1.0 2.0
   50    46    51    62   0.11100  1.0 3.0
   50    57   -67    43   2.00000 -1.0 2.0
   57    50    59    60   7.00000 -1.0 2.0
   57    50    59    61   7.00000 -1.0 2.0
   58    57    67    43   3.00000 -1.0 2.0
   67    43    46    47   0.23400  1.0 3.0
   67    43   -46    50   0.61850  1.0 1.0
   67    43   -46    50  -0.22750 -1.0 2.0
   67    43   -46    50   0.15300  1.0 3.0
   67    43    46    51   0.62750  1.0 1.0
   67    43    46    51  -0.30950 -1.0 2.0
   67    43    46    51   0.27300  1.0 3.0
   59    50    57    58   1.00000 -1.0 2.0
   59    50    57    67  -0.56150  1.0 1.0
   59    50    57    67   2.19150 -1.0 2.0
   51    46    50    57   0.09700  1.0 1.0
   51    46    50    57   0.15600 -1.0 2.0
   51    46    50    57  -0.50800  1.0 3.0
   51    46    50    59   0.09850  1.0 1.0
   51    46    50    59   0.15250 -1.0 2.0
   51    46    50    59  -0.50650  1.0 3.0
   51    62    68    45   0.47050  1.0 1.0
   51    62    68    45   0.03900 -1.0 2.0
   51    62    68    45   0.20100  1.0 3.0
   51    62    68    69   0.56750  1.0 1.0
   51    62    68    69  -0.07550 -1.0 2.0
   51    62    68    69   0.20000  1.0 3.0
   51    62    68    73   0.86500  1.0 1.0
   51    62    68    73  -0.17500 -1.0 2.0
   51    62    68    73   0.20800  1.0 3.0
   52    51    62    63   0.15000  1.0 3.0
   52    51    62    64   0.15000  1.0 3.0
   52    51    62    68   0.15000  1.0 3.0
   53    51    62    63   0.15000  1.0 3.0
   53    51    62    64   0.15000  1.0 3.0
   53    51    62    68   0.15000  1.0 3.0
   62    68    45    37   0.56750  1.0 1.0
   62    68    45    37  -0.07550 -1.0 2.0
   62    68    45    37   0.20000  1.0 3.0
   62    68    45    48   0.07850  1.0 1.0
   62    68    45    48  -0.03950 -1.0 2.0
   62    68    45    48   0.67350  1.0 3.0
   62    68    45    56   0.02550  1.0 1.0
   62    68    45    56  -0.02600 -1.0 2.0
   62    68    45    56   1.20400  1.0 3.0
   62    68    69    70   0.15000  1.0 3.0
   62    68    69    71   0.15000  1.0 3.0
   62    68    69    72   0.15000  1.0 3.0
   62    68    73    74  -0.11600  1.0 1.0
   62    68    73    74  -0.09450 -1.0 2.0
   62    68    73    74   0.21250  1.0 3.0
   63    62    68    45   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    73   0.23400  1.0 3.0
   64    62    68    45   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    73   0.23400  1.0 3.0
   68    45    48    49   0.15000  1.0 3.0
   68    45    48    54   0.56750  1.0 1.0
   68    45    48    54  -0.07550 -1.0 2.0
   68    45    48    54   0.20000  1.0 3.0
   68    45   -48    56   0.02550  1.0 1.0
   68    45   -48    56  -0.02600 -1.0 2.0
   68    45   -48    56   1.20400  1.0 3.0
   68    45   -56    48   0.06250  1.0 1.0
   68    45   -56    48  -0.01100 -1.0 2.0
   68    45   -56    48   0.28050  1.0 3.0
   45    37    43    44   0.15000  1.0 3.0
   45    37    43    46   0.47050  1.0 1.0
   45    37    43    46   0.03900 -1.0 2.0
   45    37    43    46   0.20100  1.0 3.0
   45    37    43    67  -0.26800  1.0 1.0
   45    37    43    67   0.69150 -1.0 2.0
   45    37    43    67  -0.48750  1.0 3.0
   45    68    69    70   0.15000  1.0 3.0
   45    68    69    71   0.15000  1.0 3.0
   45    68    69    72   0.15000  1.0 3.0
   45    68    73    74  -0.11600  1.0 1.0
   45    68    73    74  -0.09450 -1.0 2.0
   45    68    73    74   0.21250  1.0 3.0
   45    48   -54    33   0.07850  1.0 1.0
   45    48   -54    33  -0.03950 -1.0 2.0
   45    48   -54    33   0.67350  1.0 3.0
   45    48    54    55   0.15000  1.0 3.0
   45    48    54    65   0.86500  1.0 1.0
   45    48    54    65  -0.17500 -1.0 2.0
   45    48    54    65   0.20800  1.0 3.0
   48    54    65    66  -0.11600  1.0 1.0
   48    54    65    66  -0.09450 -1.0 2.0
   48    54    65    66   0.21250  1.0 3.0
   49    48    54    33   0.15000  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    65   0.23400  1.0 3.0
   49    48   -56    45   0.36800  1.0 3.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    43   0.56750  1.0 1.0
   54    33    37    43  -0.07550 -1.0 2.0
   54    33    37    43   0.20000  1.0 3.0
   54    33   -37    45   0.47050  1.0 1.0
   54    33   -37    45   0.03900 -1.0 2.0
   54    33   -37    45   0.20100  1.0 3.0
   54    33    39    40   0.15000  1.0 3.0
   54    33    39    41   0.15000  1.0 3.0
   54    33    39    42   0.15000  1.0 3.0
   54    48   -56    45   0.06250  1.0 1.0
   54    48   -56    45  -0.01100 -1.0 2.0
   54    48   -56    45   0.28050  1.0 3.0
   55    54    65    66   0.19450  1.0 3.0
   56    45   -48    49   0.23400  1.0 3.0
   56    45   -48    54   0.02550  1.0 1.0
   56    45   -48    54  -0.02600 -1.0 2.0
   56    45   -48    54   1.20400  1.0 3.0
   56    48   -54    33   0.02550  1.0 1.0
   56    48   -54    33  -0.02600 -1.0 2.0
   56    48   -54    33   1.20400  1.0 3.0
   56    48    54    55   0.23400  1.0 3.0
   56    48    54    65   3.69350  1.0 1.0
   56    48    54    65  -1.82950 -1.0 2.0
   69    68    45    37   0.56750  1.0 1.0
   69    68    45    37  -0.07550 -1.0 2.0
   69    68    45    37   0.20000  1.0 3.0
   69    68    45    48   0.07850  1.0 1.0
   69    68    45    48  -0.03950 -1.0 2.0
   69    68    45    48   0.67350  1.0 3.0
   69    68    45    56   0.02550  1.0 1.0
   69    68    45    56  -0.02600 -1.0 2.0
   69    68    45    56   1.20400  1.0 3.0
   69    68    73    74  -0.11600  1.0 1.0
   69    68    73    74  -0.09450 -1.0 2.0
   69    68    73    74   0.21250  1.0 3.0
   73    68    45    37   0.86500  1.0 1.0
   73    68    45    37  -0.17500 -1.0 2.0
   73    68    45    37   0.20800  1.0 3.0
   73    68    45    48   0.86500  1.0 1.0
   73    68    45    48  -0.17500 -1.0 2.0
   73    68    45    48   0.20800  1.0 3.0
   73    68    45    56   3.69350  1.0 1.0
   73    68    45    56  -1.82950 -1.0 2.0
   73    68    69    70   0.23400  1.0 3.0
   73    68    69    71   0.23400  1.0 3.0
   73    68    69    72   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45   0.47050  1.0 1.0
   39    33    37    45   0.03900 -1.0 2.0
   39    33    37    45   0.20100  1.0 3.0
   39    33    54    48   0.47050  1.0 1.0
   39    33    54    48   0.03900 -1.0 2.0
   39    33    54    48   0.20100  1.0 3.0
   39    33    54    55   0.15000  1.0 3.0
   39    33    54    65   0.86500  1.0 1.0
   39    33    54    65  -0.17500 -1.0 2.0
   39    33    54    65   0.20800  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   46    57    50    59   1.10000 -1.0 2.0
   50    67    57    58  10.50000 -1.0 2.0
   60    61    59    50   1.10000 -1.0 2.0
END
