* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    228     425
    1     0 S   NP   _N1_     1    28.80334    94.41716   -22.32320
    2     1 S   H    _HN1     2     1.02832    29.11547   165.50465
    3     1 S   H    _H1_     3     1.02783    98.38813   -82.59948
    4     1 S   H    _H2_     4     1.02951    84.79882    25.22176
    5     1 S   CT   _CA1     5     1.50095   137.94435   140.19681
    6     5 S   HC   _HA1     6     1.09571   105.23169    72.06807
    7     5 S   CO3  _C1_     7     1.53743   112.44047   -48.22957
    8     7 S   O2Z  _O11     8     1.26375   115.01401   -43.36653
    9     7 S   O2Z  _O12     9     1.26238   114.94662   135.92629
   10     5 S   CT   _CB1    10     1.53077   107.44776  -169.92143
   11    10 S   HC   HB11    11     1.09828   109.36761   -50.00274
   12    10 S   HC   HB12    12     1.09817   110.44331    66.59690
   13    10 S   CT   _CG1    13     1.52986   112.62226  -171.02267
   14    13 S   HC   HG11    14     1.09603   110.56534   -64.91957
   15    13 S   HC   HG12    15     1.09662   109.88338    54.32751
   16    13 S   C    _CD1    16     1.51798   112.24086   174.76872
   17    16 S   O    _OE1    17     1.22721   123.30152     4.00590
   18    16 S   N    _N2_    18     1.38581   111.59664  -176.28875
   19    18 S   H    _HN2    19     1.01588   118.96117     1.67199
   20    18 S   CT1  _CA2    20     1.46226   123.48308   179.54976
   21    20 S   HC   _HA2    21     1.09734   109.39714    -7.17455
   22    20 S   C    _C2_    22     1.53424   108.36658  -122.65969
   23    22 S   O    _O2_    23     1.23028   122.39015  -148.14930
   24    20 S   CT   _CB2    32     1.53406   111.37138   114.96418
   25    24 S   HC   HB21    33     1.09339   109.58268    55.87397
   26    24 S   HC   HB22    34     1.09492   110.19095   174.45066
   27    22 S   N    _N3_    24     1.38372   113.48551    39.36373
   28    27 S   H    _HN3    25     1.01632   119.48687    -3.58960
   29    24 S   S    _SG2    35     1.82957   111.14630   -66.52638
   30    27 S   CT   _CA3    26     1.45281   123.15608   176.99287
   31    30 S   HC   HA31    27     1.09551   107.52954   -63.81822
   32    30 S   HC   HA32    28     1.09558   107.94764    52.59514
   33    29 S   CT   _C5_    36     1.86483   101.98893   155.93548
   34    30 S   CO3  _C3_    29     1.52939   114.11938   174.57364
   35    34 S   O2Z  _O31    30     1.26370   116.06136    -0.81325
   36    34 S   O2Z  _O32    31     1.26429   114.41357   179.24282
   37    33 S   CT   _C6_    37     1.57689   105.82312   169.62210
   38    37 S   HC   _H10    38     1.10014   109.05215   -46.11101
   39    37 S   HC   _H11    39     1.09859   108.26259  -158.47574
   40    33 S   CT   _C14    60     1.58213   114.57519   -66.60718
   41    40 S   HC   _H6_    61     1.09169   107.20555  -146.46240
   42    33 S   CT   _C4_    72     1.54996   107.31804    57.68488
   43    42 S   HC   _H7_    73     1.09459   113.00078   -64.46901
   44    42 S   HC   _H8_    74     1.09694   110.49128   175.92407
   45    42 S   HC   _H9_    75     1.09690   111.71350    56.96516
   46    37 S   CT   _C7_    40     1.54252   118.12147    77.35152
   47    46 S   HC   _H12    41     1.09718   108.53744  -129.16371
   48    46 S   HC   _H13    42     1.08927   109.91854   -14.74405
   49    40 S   OH   _O34    62     1.43776   109.79638   100.82912
   50    49 S   HO   _H18    63     0.97246   107.80640   172.95647
   51    46 S   CT   _C8_    43     1.54298   112.15169   109.46285
   52    51 S   HC   _H3_    44     1.09937   109.57455   -19.59539
   53    51 S   CM   _C17    45     1.49010   119.00895   102.52047
   54    53 S   CO4  _C16    46     1.48286   107.65217   150.88590
   55    54 S   O    _O36    47     1.21740   126.99931   167.77902
   56    53 S   CM   _C18    69     1.33516   130.31124   -28.54313
   57    56 S   HC   _H22    70     1.08462   121.18145    -0.77909
   58    56 S   HC   _H23    71     1.08530   121.58056   179.62570
   59    54 S   OS   _O35    48     1.36758   107.08348   -10.60966
   60    51 S   CT   _C9_    49     1.53137   113.84132  -141.27950
   61    60 S   HC   _H4_    50     1.09606   112.04832   -45.71092
   62    60 S   C3T  _C10    51     1.48860   109.20235    80.07157
   63    62 S   HC   _H5_    52     1.08285   112.66308    46.54646
   64    62 S   C3T  _C11    53     1.51783   118.61446  -102.85042
   65    64 S   CT   _C12    54     1.50539   114.76988   138.00818
   66    65 S   HC   _H14    55     1.09687   108.45066   153.15882
   67    65 S   HC   _H15    56     1.09621   111.83678    36.04576
   68    62 S   O3T  _O33    64     1.42431   122.17267  -171.73806
   69    64 S   CT   _C15    65     1.50552   124.51045   -19.22624
   70    69 S   HC   _H19    66     1.09540   112.11922   -39.93868
   71    69 S   HC   _H20    67     1.09430   110.05021  -158.87797
   72    69 S   HC   _H21    68     1.09283   111.67171    81.13341
   73    65 S   CT   _C13    57     1.54712   110.47637   -87.64306
   74    73 S   HC   _H16    58     1.09734   106.78536  -154.02979
   75    73 S   HC   _H17    59     1.09106   108.16525   -39.31156
  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  17   7   6  15   7   6   2   1   1  11   5   4
   5   1  14   7   9   8   3   4   1   1   6   7   4  11   4  11
  10   6   5   5   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    73    40    41    49    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    51    65    73    74    75    40    41    49    50    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    51    52    53    60    73    40    41    49    42    43    44    45  
   39    46    47    48    51    40    42  
   46    47    48    51    40    42  
   41    49    50    42    43    44    45    46    64    65    66    67    73    74    75  
   49    50    42    65    73    74    75  
   43    44    45    46    49    73  
   44    45  
   45  
    0  
   47    48    51    52    53    54    59    60    61    62    56  
   48    51    52    53    60  
   51    52    53    60  
   50    65    73    74    75  
   73  
   52    53    54    55    59    60    61    62    63    64    68    56    57    58  
   53    54    59    60    61    62    56  
   54    55    59    60    61    62    56    57    58  
   55    59    60    61    62    56    57    58  
   59    60    56  
   57    58    59    60  
   58  
    0  
   60    61    62    63    64    68  
   61    62    63    64    65    68    69  
   62    63    64    68  
   63    64    65    66    67    73    68    69    70    71    72  
   64    65    68    69  
   65    66    67    73    74    75    68    69    70    71    72  
   66    67    73    74    75    68    69    70    71    72  
   67    73    74    75    68    69  
   73    74    75    68    69  
   69    70    71    72    73  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75  
   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   0.167500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    60   268.000  1.529
   53    54   320.000  1.462
   53    56   549.000  1.340
   54    55   570.000  1.229
   54    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   275.000  1.510
   62    63   340.000  1.088
   62    64   260.000  1.509
   62    68   335.000  1.432
   64    65   275.000  1.510
   64    68   335.000  1.432
   64    69   275.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    40   268.000  1.529
   40    41   340.000  1.090
   40    49   320.000  1.410
   49    50   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   56    57   340.000  1.080
   56    58   340.000  1.080
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    73    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    49    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    51    58.35000  112.70000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    70.00000  112.02700
   46    51    60    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    54    65.00000  116.34900
   51    53    56    70.00000  124.00000
   51    60    59    50.00000  109.50000
   51    60    61    37.50000  110.70000
   51    60    62    70.00000  112.37300
   53    51    52    35.00000  109.50000
   53    54    55    80.00000  123.72100
   53    54    59    90.00000  111.29400
   53    56    57    35.00000  120.00000
   53    56    58    35.00000  120.00000
   54    59    60    83.00000  116.90000
   59    54    55    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   60    51    52    37.50000  110.70000
   60    51    53    70.00000  112.02700
   60    62    63    40.00000  115.04500
   60    62    64    60.00000  120.94000
   60    62    68    80.00000  116.47100
   62    60    61    45.00000  109.38400
   62    64    65    60.00000  120.94000
   62    64    68    15.00000   60.43100
   62    64    69    60.00000  120.94000
   62    68    64    15.00000   59.14900
   64    62    63    37.50000  117.20000
   64    65    66    45.00000  109.38400
   64    65    67    45.00000  109.38400
   64    65    73    70.00000  112.37300
   64    69    70    45.00000  109.38400
   64    69    71    45.00000  109.38400
   64    69    72    45.00000  109.38400
   65    73    74    37.50000  110.70000
   65    73    75    37.50000  110.70000
   65    73    40    58.35000  112.70000
   67    65    66    33.00000  107.80000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   73    40    41    37.50000  110.70000
   73    40    49    50.00000  109.50000
   75    73    74    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    73    74    37.50000  110.70000
   40    73    75    37.50000  110.70000
   40    49    50    55.00000  108.50000
   49    40    41    35.00000  109.50000
   68    62    63    50.00000  114.27700
   68    62    64    15.00000   60.43100
   68    64    65    80.00000  116.47100
   69    64    65    58.35000  112.70000
   69    64    68    80.00000  116.47100
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    53    54    65.00000  118.96000
   58    56    57    35.00000  117.00000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    49   0.56750  1.0 1.0
   29    33    40    49  -0.07550 -1.0 2.0
   29    33    40    49   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    51   0.56750  1.0 1.0
   33    37    46    51  -0.07550 -1.0 2.0
   33    37    46    51   0.20000  1.0 3.0
   33    40    49    50  -0.11600  1.0 1.0
   33    40    49    50  -0.09450 -1.0 2.0
   33    40    49    50   0.21250  1.0 3.0
   37    33    40    73   0.56750  1.0 1.0
   37    33    40    73  -0.07550 -1.0 2.0
   37    33    40    73   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    49   0.86500  1.0 1.0
   37    33    40    49  -0.17500 -1.0 2.0
   37    33    40    49   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    51    52   0.15000  1.0 3.0
   37    46    51    53   0.34400  1.0 1.0
   37    46    51    53   0.09450 -1.0 2.0
   37    46    51    53   0.11100  1.0 3.0
   37    46    51    60   0.56750  1.0 1.0
   37    46    51    60  -0.07550 -1.0 2.0
   37    46    51    60   0.20000  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    51   0.15000  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    51   0.15000  1.0 3.0
   46    51    53    54   0.09700  1.0 1.0
   46    51    53    54   0.15600 -1.0 2.0
   46    51    53    54  -0.50800  1.0 3.0
   46    51    53    56   0.09850  1.0 1.0
   46    51    53    56   0.15250 -1.0 2.0
   46    51    53    56  -0.50650  1.0 3.0
   46    51    60    59   0.62750  1.0 1.0
   46    51    60    59  -0.30950 -1.0 2.0
   46    51    60    59   0.27300  1.0 3.0
   46    51    60    61   0.15000  1.0 3.0
   46    51    60    62   0.47050  1.0 1.0
   46    51    60    62   0.03900 -1.0 2.0
   46    51    60    62   0.20100  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    60   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    60   0.15000  1.0 3.0
   51    53    54    55  -0.64400  1.0 1.0
   51    53    54    55   0.26850 -1.0 2.0
   51    53   -54    59  -0.15000  1.0 1.0
   51    53   -54    59   0.89550 -1.0 2.0
   51    53   -54    59  -0.06900  1.0 3.0
   51    53    56    57   7.00000 -1.0 2.0
   51    53    56    58   7.00000 -1.0 2.0
   51    60    62    63   0.15000  1.0 3.0
   51    60    62    64   0.07850  1.0 1.0
   51    60    62    64  -0.03950 -1.0 2.0
   51    60    62    64   0.67350  1.0 3.0
   51    60    62    68   0.02550  1.0 1.0
   51    60    62    68  -0.02600 -1.0 2.0
   51    60    62    68   1.20400  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    56   0.00000  1.0 1.0
   52    51    60    59   0.23400  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    62   0.15000  1.0 3.0
   53    51   -60    59   0.61850  1.0 1.0
   53    51   -60    59  -0.22750 -1.0 2.0
   53    51   -60    59   0.15300  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    62   0.34400  1.0 1.0
   53    51    60    62   0.09450 -1.0 2.0
   53    51    60    62   0.11100  1.0 3.0
   53    54   -59    60   2.00000 -1.0 2.0
   54    53    56    57   7.00000 -1.0 2.0
   54    53    56    58   7.00000 -1.0 2.0
   54    59   -60    51  -0.25900  1.0 1.0
   54    59   -60    51  -0.47000 -1.0 2.0
   54    59   -60    51   0.11750  1.0 3.0
   54    59    60    61   0.08050  1.0 3.0
   54    59    60    62  -0.25900  1.0 1.0
   54    59    60    62  -0.47000 -1.0 2.0
   54    59    60    62   0.11750  1.0 3.0
   55    54    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    64  -0.26800  1.0 1.0
   59    60    62    64   0.69150 -1.0 2.0
   59    60    62    64  -0.48750  1.0 3.0
   59    60    62    68   1.11900  1.0 1.0
   59    60    62    68  -1.16350 -1.0 2.0
   59    60    62    68  -0.34150  1.0 3.0
   60    51   -53    54   0.09700  1.0 1.0
   60    51   -53    54   0.15600 -1.0 2.0
   60    51   -53    54  -0.50800  1.0 3.0
   60    51    53    56   0.09850  1.0 1.0
   60    51    53    56   0.15250 -1.0 2.0
   60    51    53    56  -0.50650  1.0 3.0
   60    62    64    65   0.56750  1.0 1.0
   60    62    64    65  -0.07550 -1.0 2.0
   60    62    64    65   0.20000  1.0 3.0
   60    62   -64    68   0.02550  1.0 1.0
   60    62   -64    68  -0.02600 -1.0 2.0
   60    62   -64    68   1.20400  1.0 3.0
   60    62    64    69   0.56750  1.0 1.0
   60    62    64    69  -0.07550 -1.0 2.0
   60    62    64    69   0.20000  1.0 3.0
   60    62   -68    64   0.06250  1.0 1.0
   60    62   -68    64  -0.01100 -1.0 2.0
   60    62   -68    64   0.28050  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    68   0.23400  1.0 3.0
   62    64    65    66   0.15000  1.0 3.0
   62    64    65    67   0.15000  1.0 3.0
   62    64    65    73   0.07850  1.0 1.0
   62    64    65    73  -0.03950 -1.0 2.0
   62    64    65    73   0.67350  1.0 3.0
   62    64    69    70   0.15000  1.0 3.0
   62    64    69    71   0.15000  1.0 3.0
   62    64    69    72   0.15000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62   -64    68   0.23400  1.0 3.0
   63    62    64    69   0.15000  1.0 3.0
   63    62   -68    64   0.36800  1.0 3.0
   64    65    73    74   0.15000  1.0 3.0
   64    65    73    75   0.15000  1.0 3.0
   64    65    73    40   0.47050  1.0 1.0
   64    65    73    40   0.03900 -1.0 2.0
   64    65    73    40   0.20100  1.0 3.0
   65    64   -68    62   0.06250  1.0 1.0
   65    64   -68    62  -0.01100 -1.0 2.0
   65    64   -68    62   0.28050  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   65    73    40    33   0.56750  1.0 1.0
   65    73    40    33  -0.07550 -1.0 2.0
   65    73    40    33   0.20000  1.0 3.0
   65    73    40    41   0.15000  1.0 3.0
   65    73    40    49   0.86500  1.0 1.0
   65    73    40    49  -0.17500 -1.0 2.0
   65    73    40    49   0.20800  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    75   0.15000  1.0 3.0
   66    65    73    40   0.15000  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    75   0.15000  1.0 3.0
   67    65    73    40   0.15000  1.0 3.0
   73    40    49    50  -0.11600  1.0 1.0
   73    40    49    50  -0.09450 -1.0 2.0
   73    40    49    50   0.21250  1.0 3.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    41   0.15000  1.0 3.0
   74    73    40    49   0.23400  1.0 3.0
   75    73    40    33   0.15000  1.0 3.0
   75    73    40    41   0.15000  1.0 3.0
   75    73    40    49   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    49    50   0.19450  1.0 3.0
   68    62   -64    65   0.02550  1.0 1.0
   68    62   -64    65  -0.02600 -1.0 2.0
   68    62   -64    65   1.20400  1.0 3.0
   68    62   -64    69   0.02550  1.0 1.0
   68    62   -64    69  -0.02600 -1.0 2.0
   68    62   -64    69   1.20400  1.0 3.0
   68    64    65    66   0.23400  1.0 3.0
   68    64    65    67   0.23400  1.0 3.0
   68    64    65    73   0.02550  1.0 1.0
   68    64    65    73  -0.02600 -1.0 2.0
   68    64    65    73   1.20400  1.0 3.0
   68    64    69    70   0.23400  1.0 3.0
   68    64    69    71   0.23400  1.0 3.0
   68    64    69    72   0.23400  1.0 3.0
   69    64    65    66   0.15000  1.0 3.0
   69    64    65    67   0.15000  1.0 3.0
   69    64    65    73   0.56750  1.0 1.0
   69    64    65    73  -0.07550 -1.0 2.0
   69    64    65    73   0.20000  1.0 3.0
   69    64   -68    62   0.06250  1.0 1.0
   69    64   -68    62  -0.01100 -1.0 2.0
   69    64   -68    62   0.28050  1.0 3.0
   56    53    54    55   1.00000 -1.0 2.0
   56    53    54    59  -0.56150  1.0 1.0
   56    53    54    59   2.19150 -1.0 2.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    73   0.56750  1.0 1.0
   42    33    40    73  -0.07550 -1.0 2.0
   42    33    40    73   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    49   0.86500  1.0 1.0
   42    33    40    49  -0.17500 -1.0 2.0
   42    33    40    49   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   51    54    53    56   1.10000 -1.0 2.0
   53    59    54    55  10.50000 -1.0 2.0
   57    58    56    53   1.10000 -1.0 2.0
END
