* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    147    242     434
    1     0 S   NP   _N1_     1    28.84420    95.33310   -24.71618
    2     1 S   H    _HN1     2     1.02788   112.23785  -100.37066
    3     1 S   H    _H1_     3     1.02948    79.22586     5.21346
    4     1 S   H    _H2_     4     1.02828    28.51972   172.92471
    5     1 S   CT   _CA1     5     1.50116   128.03331   112.77925
    6     5 S   HC   _HA1     6     1.09573   105.19076    85.57024
    7     5 S   CO3  _C1_     7     1.53779   112.41975   -34.66813
    8     7 S   O2Z  _O11     8     1.26373   115.00606   -43.64970
    9     7 S   O2Z  _O12     9     1.26235   114.93617   135.41667
   10     5 S   CT   _CB1    10     1.53068   107.41117  -156.46746
   11    10 S   HC   HB11    11     1.09836   109.36254   -49.69670
   12    10 S   HC   HB12    12     1.09811   110.46523    66.90523
   13    10 S   CT   _CG1    13     1.52999   112.60926  -170.65405
   14    13 S   HC   HG11    14     1.09580   110.66323   -65.96048
   15    13 S   HC   HG12    15     1.09670   109.76268    53.28015
   16    13 S   C    _CD1    16     1.51806   112.13383   173.74135
   17    16 S   O    _OE1    17     1.22745   123.23713     8.51770
   18    16 S   N    _N2_    18     1.38635   111.72195  -171.53722
   19    18 S   H    _HN2    19     1.01579   119.03385     1.35566
   20    18 S   CT1  _CA2    20     1.46256   123.43514   177.57715
   21    20 S   HC   _HA2    21     1.09742   109.22826     5.50189
   22    20 S   C    _C2_    22     1.53647   109.04587  -109.97171
   23    22 S   O    _O2_    23     1.23074   122.23928  -151.13000
   24    20 S   CT   _CB2    32     1.53413   111.50946   127.36251
   25    24 S   HC   HB21    33     1.09473   109.60398    56.24604
   26    24 S   HC   HB22    34     1.09493   110.09898   175.59958
   27    22 S   N    _N3_    24     1.38322   113.88764    36.47910
   28    27 S   H    _HN3    25     1.01553   119.58039    -3.52142
   29    24 S   S    _SG2    35     1.82625   111.22478   -64.40919
   30    27 S   CT   _CA3    26     1.45273   123.23912   177.08020
   31    30 S   HC   HA31    27     1.09548   107.53492   -64.23308
   32    30 S   HC   HA32    28     1.09557   107.96699    52.21161
   33    29 S   CT   _C14    36     1.84612   100.49744  -171.65877
   34    33 S   HC   _H6_    37     1.10061   104.26323    55.80794
   35    30 S   CO3  _C3_    29     1.52959   114.06763   174.20932
   36    35 S   O2Z  _O31    30     1.26379   116.08388     0.03956
   37    35 S   O2Z  _O32    31     1.26428   114.41177  -179.91844
   38    33 S   CT   _C13    38     1.56368   114.13629   -66.19877
   39    38 S   OM   _O37    39     1.32384   108.53218    97.71384
   40    38 S   HC   _H5_    40     1.09732   108.03230   -33.71980
   41    38 S   C3T  _C11    41     1.54117   103.36152  -145.41253
   42    41 S   C3T  _C12    42     1.52810   117.71827   154.14302
   43    42 S   HC   _H13    43     1.07881   121.40859  -147.42635
   44    42 S   HC   _H14    44     1.08414   118.24536     0.52489
   45    41 S   CT   _C10    46     1.54109   111.47762    -3.86351
   46    41 S   O3T  _O33    45     1.44403   117.92790  -140.39165
   47    45 S   CT   _C9_    47     1.55646   117.50098   145.77220
   48    47 S   HC   _H4_    48     1.09745   107.67994   163.28312
   49    45 S   CT   _C18    72     1.55432   108.26374   -92.42786
   50    49 S   HC   _H16    73     1.09451   112.24666    53.44983
   51    49 S   HC   _H17    74     1.09603   111.06983   -66.23065
   52    49 S   HC   _H18    75     1.09554   111.57193   174.30154
   53    47 S   CT   _C8_    49     1.54480   115.11576   -78.03925
   54    53 S   HC   _H3_    50     1.09371   109.84139   171.91663
   55    47 S   OH   _O38    70     1.42499   111.66682    49.75176
   56    55 S   HO   _H19    71     0.97198   108.03452   175.85698
   57    53 S   CT   _C7_    51     1.53466   111.27501   -61.35496
   58    57 S   CT   _C16    52     1.54948    96.48270    71.68381
   59    58 S   HC   _H7_    53     1.09212   109.47251   164.22459
   60    57 S   CM   _C5_    60     1.54236   112.79992  -165.49169
   61    57 S   OH   _O39    68     1.42181   112.61709   -44.78190
   62    61 S   HO   _H20    69     0.97174   108.71322   -50.50135
   63    58 S   CO4  _C17    54     1.51346    98.21972    46.63897
   64    63 S   O    _O34    55     1.21922   126.92852   146.97078
   65    33 S   CT   _C15    57     1.56709   113.19763   171.99523
   66    60 S   CM   _C6_    61     1.34545   124.93460  -117.03549
   67    66 S   HC   _H11    62     1.08611   121.16049  -179.36326
   68    66 S   HC   _H12    63     1.08306   123.26363     0.53266
   69    60 S   CT   _C4_    64     1.51199   116.85903    64.37771
   70    69 S   HC   _H8_    65     1.09332   111.06731   -62.35160
   71    69 S   HC   _H9_    66     1.09412   110.87670    58.71183
   72    69 S   HC   _H10    67     1.09589   112.13172   178.11062
   73    53 S   OS   _O35    56     1.43833   110.72188    52.21988
   74    65 S   OH   _O36    58     1.43545   106.19500   -82.42999
   75    74 S   HO   _H15    59     0.97292   107.45275    64.27503
  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
  17   8   2   1   1  13   6   5  16   7   3   2  19   3  17   8
   8   3   2   1  15   7   4   1  17  12   7  12   6   1   4   2
   3   6   2   1   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    65    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    58    65    74  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    45    47    57    58    59    63    65    74    75    49  
   38    39    40    41    45    58    65    74  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    45    47    58    65    74    49  
   40    41    42    46    45    65  
   41    42    46    45    65  
   42    43    44    46    45    47    48    53    58    65    74    55    49    50    51    52  
   43    44    46    45    47    65    49  
   44    46    45  
   46    45  
   47    48    53    54    57    58    59    63    73    65    74    75    55    56    49    50    51    52    46  
   47    65    49  
   48    53    54    57    58    63    73    65    74    60    61    55    56    49    50    51    52  
   53    54    57    73    65    55    56    49  
   50    51    52    53    55    58    65    74  
   51    52    65  
   52    65  
   65  
   54    57    58    59    63    64    73    65    60    66    69    61    62    55    56  
   57    58    63    73    60    61    55  
   56    57    65    73  
    0  
   58    59    63    64    73    65    74    60    66    67    68    69    70    71    72    61    62  
   59    63    64    73    65    74    75    60    66    69    61    62  
   63    64    73    65    74    60    61  
   66    67    68    69    70    71    72    61    62    63    65    73  
   62    63    65    66    69    73  
    0  
   64    73    65    74  
   73    65  
   74    75    73  
   67    68    69    70    71    72  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
    0  
   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   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    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    65   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   275.000  1.510
   41    42   260.000  1.509
   41    46   335.000  1.432
   41    45   275.000  1.510
   42    43   340.000  1.088
   42    44   340.000  1.088
   42    46   335.000  1.432
   45    47   268.000  1.529
   45    65   268.000  1.529
   45    49   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    55   320.000  1.410
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    73   320.000  1.410
   57    58   268.000  1.529
   57    60   317.000  1.510
   57    61   320.000  1.410
   58    59   340.000  1.090
   58    63   317.000  1.522
   58    65   268.000  1.529
   63    64   570.000  1.229
   63    73   214.000  1.327
   65    74   320.000  1.410
   74    75   553.000  0.945
   60    66   549.000  1.340
   60    69   317.000  1.510
   66    67   340.000  1.080
   66    68   340.000  1.080
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   61    62   553.000  0.945
   55    56   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    65    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.37300
   33    65    45    58.35000  112.70000
   33    65    58    58.35000  112.70000
   33    65    74    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    60.00000  120.94000
   38    41    46    80.00000  116.47100
   38    41    45    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    45.00000  109.38400
   41    42    43    37.50000  117.20000
   41    42    44    37.50000  117.20000
   41    42    46    15.00000   60.43100
   41    46    42    15.00000   59.14900
   41    45    47    70.00000  112.37300
   41    45    65    70.00000  112.37300
   41    45    49    70.00000  112.37300
   44    42    43    35.00000  114.30000
   46    41    42    15.00000   60.43100
   46    42    43    50.00000  114.27700
   46    42    44    50.00000  114.27700
   45    41    42    60.00000  120.94000
   45    41    46    80.00000  116.47100
   45    47    48    37.50000  110.70000
   45    47    53    58.35000  112.70000
   45    47    55    50.00000  109.50000
   45    65    58    58.35000  112.70000
   45    65    74    50.00000  109.50000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    52    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    57    58.35000  112.70000
   47    53    73    50.00000  109.50000
   47    55    56    55.00000  108.50000
   53    47    48    37.50000  110.70000
   53    57    58    58.35000  112.70000
   53    57    60    70.00000  112.02700
   53    57    61    50.00000  109.50000
   53    73    63    83.00000  116.90000
   57    53    54    37.50000  110.70000
   57    58    59    37.50000  110.70000
   57    58    63    63.00000  111.10000
   57    58    65    58.35000  112.70000
   57    60    66    70.00000  124.00000
   57    60    69    65.00000  117.92700
   57    61    62    55.00000  108.50000
   58    63    64    80.00000  120.40000
   58    63    73    81.00000  111.40000
   58    65    74    50.00000  109.50000
   63    58    59    35.00000  109.50000
   73    53    54    35.00000  109.50000
   73    53    57    50.00000  109.50000
   73    63    64    83.00000  123.40000
   65    33    34    37.50000  110.70000
   65    33    38    58.35000  112.70000
   65    45    47    58.35000  112.70000
   65    58    59    37.50000  110.70000
   65    58    63    63.00000  111.10000
   65    74    75    55.00000  108.50000
   60    57    58    70.00000  112.02700
   60    66    67    35.00000  120.00000
   60    66    68    35.00000  120.00000
   60    69    70    35.00000  109.50000
   60    69    71    35.00000  109.50000
   60    69    72    35.00000  109.50000
   68    66    67    35.00000  117.00000
   69    60    66    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   61    57    58    50.00000  109.50000
   61    57    60    90.00000  110.39200
   55    47    48    35.00000  109.50000
   55    47    53    50.00000  109.50000
   49    45    47    58.35000  112.70000
   49    45    65    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    65   0.01700  1.0 1.0
   24    29    33    65  -0.23550 -1.0 2.0
   24    29    33    65   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    65    45   0.44750  1.0 1.0
   29    33    65    45  -0.17800 -1.0 2.0
   29    33    65    45   0.20200  1.0 3.0
   29    33    65    58   0.44750  1.0 1.0
   29    33    65    58  -0.17800 -1.0 2.0
   29    33    65    58   0.20200  1.0 3.0
   29    33    65    74   0.56750  1.0 1.0
   29    33    65    74  -0.07550 -1.0 2.0
   29    33    65    74   0.20000  1.0 3.0
   33    38    41    42   0.07850  1.0 1.0
   33    38    41    42  -0.03950 -1.0 2.0
   33    38    41    42   0.67350  1.0 3.0
   33    38    41    46   0.02550  1.0 1.0
   33    38    41    46  -0.02600 -1.0 2.0
   33    38    41    46   1.20400  1.0 3.0
   33    38   -41    45   0.56750  1.0 1.0
   33    38   -41    45  -0.07550 -1.0 2.0
   33    38   -41    45   0.20000  1.0 3.0
   33    65    74    75  -0.11600  1.0 1.0
   33    65    74    75  -0.09450 -1.0 2.0
   33    65    74    75   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    65    45   0.15000  1.0 3.0
   34    33    65    58   0.15000  1.0 3.0
   34    33    65    74   0.23400  1.0 3.0
   38    33   -65    45   0.56750  1.0 1.0
   38    33   -65    45  -0.07550 -1.0 2.0
   38    33   -65    45   0.20000  1.0 3.0
   38    33    65    58   0.56750  1.0 1.0
   38    33    65    58  -0.07550 -1.0 2.0
   38    33    65    58   0.20000  1.0 3.0
   38    33    65    74   0.86500  1.0 1.0
   38    33    65    74  -0.17500 -1.0 2.0
   38    33    65    74   0.20800  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    44   0.15000  1.0 3.0
   38    41   -42    46   0.02550  1.0 1.0
   38    41   -42    46  -0.02600 -1.0 2.0
   38    41   -42    46   1.20400  1.0 3.0
   38    41   -46    42   0.06250  1.0 1.0
   38    41   -46    42  -0.01100 -1.0 2.0
   38    41   -46    42   0.28050  1.0 3.0
   38    41    45    47   0.56750  1.0 1.0
   38    41    45    47  -0.07550 -1.0 2.0
   38    41    45    47   0.20000  1.0 3.0
   38    41   -45    65   0.56750  1.0 1.0
   38    41   -45    65  -0.07550 -1.0 2.0
   38    41   -45    65   0.20000  1.0 3.0
   38    41    45    49   0.56750  1.0 1.0
   38    41    45    49  -0.07550 -1.0 2.0
   38    41    45    49   0.20000  1.0 3.0
   39    38    41    42  -0.26800  1.0 1.0
   39    38    41    42   0.69150 -1.0 2.0
   39    38    41    42  -0.48750  1.0 3.0
   39    38    41    46   1.11900  1.0 1.0
   39    38    41    46  -1.16350 -1.0 2.0
   39    38    41    46  -0.34150  1.0 3.0
   39    38    41    45   0.62750  1.0 1.0
   39    38    41    45  -0.30950 -1.0 2.0
   39    38    41    45   0.27300  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   40    38    41    45   0.15000  1.0 3.0
   41    45    47    48   0.15000  1.0 3.0
   41    45    47    53   0.47050  1.0 1.0
   41    45    47    53   0.03900 -1.0 2.0
   41    45    47    53   0.20100  1.0 3.0
   41    45    47    55   0.86500  1.0 1.0
   41    45    47    55  -0.17500 -1.0 2.0
   41    45    47    55   0.20800  1.0 3.0
   41    45   -65    33   0.47050  1.0 1.0
   41    45   -65    33   0.03900 -1.0 2.0
   41    45   -65    33   0.20100  1.0 3.0
   41    45    65    58   0.47050  1.0 1.0
   41    45    65    58   0.03900 -1.0 2.0
   41    45    65    58   0.20100  1.0 3.0
   41    45    65    74   0.86500  1.0 1.0
   41    45    65    74  -0.17500 -1.0 2.0
   41    45    65    74   0.20800  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   0.15000  1.0 3.0
   41    45    49    52   0.15000  1.0 3.0
   42    41    45    47   0.07850  1.0 1.0
   42    41    45    47  -0.03950 -1.0 2.0
   42    41    45    47   0.67350  1.0 3.0
   42    41    45    65   0.07850  1.0 1.0
   42    41    45    65  -0.03950 -1.0 2.0
   42    41    45    65   0.67350  1.0 3.0
   42    41    45    49   0.07850  1.0 1.0
   42    41    45    49  -0.03950 -1.0 2.0
   42    41    45    49   0.67350  1.0 3.0
   43    42   -46    41   0.36800  1.0 3.0
   44    42   -46    41   0.36800  1.0 3.0
   46    41   -42    43   0.23400  1.0 3.0
   46    41   -42    44   0.23400  1.0 3.0
   46    41    45    47   0.02550  1.0 1.0
   46    41    45    47  -0.02600 -1.0 2.0
   46    41    45    47   1.20400  1.0 3.0
   46    41    45    65   0.02550  1.0 1.0
   46    41    45    65  -0.02600 -1.0 2.0
   46    41    45    65   1.20400  1.0 3.0
   46    41    45    49   0.02550  1.0 1.0
   46    41    45    49  -0.02600 -1.0 2.0
   46    41    45    49   1.20400  1.0 3.0
   45    41    42    43   0.15000  1.0 3.0
   45    41    42    44   0.15000  1.0 3.0
   45    41   -42    46   0.02550  1.0 1.0
   45    41   -42    46  -0.02600 -1.0 2.0
   45    41   -42    46   1.20400  1.0 3.0
   45    41   -46    42   0.06250  1.0 1.0
   45    41   -46    42  -0.01100 -1.0 2.0
   45    41   -46    42   0.28050  1.0 3.0
   45    47    53    54   0.15000  1.0 3.0
   45    47    53    57   0.56750  1.0 1.0
   45    47    53    57  -0.07550 -1.0 2.0
   45    47    53    57   0.20000  1.0 3.0
   45    47    53    73   0.62750  1.0 1.0
   45    47    53    73  -0.30950 -1.0 2.0
   45    47    53    73   0.27300  1.0 3.0
   45    47    55    56  -0.11600  1.0 1.0
   45    47    55    56  -0.09450 -1.0 2.0
   45    47    55    56   0.21250  1.0 3.0
   45    65    74    75  -0.11600  1.0 1.0
   45    65    74    75  -0.09450 -1.0 2.0
   45    65    74    75   0.21250  1.0 3.0
   47    45    65    33   0.56750  1.0 1.0
   47    45    65    33  -0.07550 -1.0 2.0
   47    45    65    33   0.20000  1.0 3.0
   47    45    65    58   0.56750  1.0 1.0
   47    45    65    58  -0.07550 -1.0 2.0
   47    45    65    58   0.20000  1.0 3.0
   47    45    65    74   0.86500  1.0 1.0
   47    45    65    74  -0.17500 -1.0 2.0
   47    45    65    74   0.20800  1.0 3.0
   47    45    49    50   0.15000  1.0 3.0
   47    45    49    51   0.15000  1.0 3.0
   47    45    49    52   0.15000  1.0 3.0
   47    53   -57    58   0.56750  1.0 1.0
   47    53   -57    58  -0.07550 -1.0 2.0
   47    53   -57    58   0.20000  1.0 3.0
   47    53    57    60   0.34400  1.0 1.0
   47    53    57    60   0.09450 -1.0 2.0
   47    53    57    60   0.11100  1.0 3.0
   47    53    57    61   0.86500  1.0 1.0
   47    53    57    61  -0.17500 -1.0 2.0
   47    53    57    61   0.20800  1.0 3.0
   47    53    73    63  -0.25900  1.0 1.0
   47    53    73    63  -0.47000 -1.0 2.0
   47    53    73    63   0.11750  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    57   0.15000  1.0 3.0
   48    47    53    73   0.23400  1.0 3.0
   48    47    55    56   0.19450  1.0 3.0
   53    47    55    56  -0.11600  1.0 1.0
   53    47    55    56  -0.09450 -1.0 2.0
   53    47    55    56   0.21250  1.0 3.0
   53    57    58    59   0.15000  1.0 3.0
   53    57   -58    63  -0.95700  1.0 1.0
   53    57   -58    63  -0.18200 -1.0 2.0
   53    57   -58    63   0.29450  1.0 3.0
   53    57    58    65   0.56750  1.0 1.0
   53    57    58    65  -0.07550 -1.0 2.0
   53    57    58    65   0.20000  1.0 3.0
   53    57    60    66   0.09850  1.0 1.0
   53    57    60    66   0.15250 -1.0 2.0
   53    57    60    66  -0.50650  1.0 3.0
   53    57    60    69   0.46850  1.0 1.0
   53    57    60    69   0.08550 -1.0 2.0
   53    57    60    69   0.09800  1.0 3.0
   53    57    61    62  -0.11600  1.0 1.0
   53    57    61    62  -0.09450 -1.0 2.0
   53    57    61    62   0.21250  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    53    57    61   0.23400  1.0 3.0
   54    53    73    63   0.08050  1.0 3.0
   57    53   -73    63  -0.25900  1.0 1.0
   57    53   -73    63  -0.47000 -1.0 2.0
   57    53   -73    63   0.11750  1.0 3.0
   57    58    63    64   0.30150 -1.0 2.0
   57    58   -63    73   0.36750  1.0 3.0
   57    58    65    33   0.56750  1.0 1.0
   57    58    65    33  -0.07550 -1.0 2.0
   57    58    65    33   0.20000  1.0 3.0
   57    58   -65    45   0.56750  1.0 1.0
   57    58   -65    45  -0.07550 -1.0 2.0
   57    58   -65    45   0.20000  1.0 3.0
   57    58    65    74   0.86500  1.0 1.0
   57    58    65    74  -0.17500 -1.0 2.0
   57    58    65    74   0.20800  1.0 3.0
   57    60    66    67   7.00000 -1.0 2.0
   57    60    66    68   7.00000 -1.0 2.0
   57    60    69    70   0.34800  1.0 3.0
   57    60    69    71   0.34800  1.0 3.0
   57    60    69    72   0.34800  1.0 3.0
   58    57    60    66   0.09850  1.0 1.0
   58    57    60    66   0.15250 -1.0 2.0
   58    57    60    66  -0.50650  1.0 3.0
   58    57    60    69   0.46850  1.0 1.0
   58    57    60    69   0.08550 -1.0 2.0
   58    57    60    69   0.09800  1.0 3.0
   58    57    61    62  -0.11600  1.0 1.0
   58    57    61    62  -0.09450 -1.0 2.0
   58    57    61    62   0.21250  1.0 3.0
   58    63   -73    53   1.63150  1.0 1.0
   58    63   -73    53   2.92000 -1.0 2.0
   58    65    74    75  -0.11600  1.0 1.0
   58    65    74    75  -0.09450 -1.0 2.0
   58    65    74    75   0.21250  1.0 3.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    73   0.00000  1.0 1.0
   59    58    65    33   0.15000  1.0 3.0
   59    58    65    45   0.15000  1.0 3.0
   59    58    65    74   0.23400  1.0 3.0
   63    58    65    33  -0.95700  1.0 1.0
   63    58    65    33  -0.18200 -1.0 2.0
   63    58    65    33   0.29450  1.0 3.0
   63    58    65    45  -0.95700  1.0 1.0
   63    58    65    45  -0.18200 -1.0 2.0
   63    58    65    45   0.29450  1.0 3.0
   63    58    65    74  -0.09450  1.0 1.0
   63    58    65    74  -1.12950 -1.0 2.0
   63    58    65    74   0.54000  1.0 3.0
   64    63    73    53   3.00000 -1.0 2.0
   73    53   -57    58   0.62750  1.0 1.0
   73    53   -57    58  -0.30950 -1.0 2.0
   73    53   -57    58   0.27300  1.0 3.0
   73    53    57    60   0.61850  1.0 1.0
   73    53    57    60  -0.22750 -1.0 2.0
   73    53    57    60   0.15300  1.0 3.0
   73    53    57    61   3.69350  1.0 1.0
   73    53    57    61  -1.82950 -1.0 2.0
   65    33    38    39   0.62750  1.0 1.0
   65    33    38    39  -0.30950 -1.0 2.0
   65    33    38    39   0.27300  1.0 3.0
   65    33    38    40   0.15000  1.0 3.0
   65    33   -38    41   0.47050  1.0 1.0
   65    33   -38    41   0.03900 -1.0 2.0
   65    33   -38    41   0.20100  1.0 3.0
   65    45    47    48   0.15000  1.0 3.0
   65    45   -47    53   0.56750  1.0 1.0
   65    45   -47    53  -0.07550 -1.0 2.0
   65    45   -47    53   0.20000  1.0 3.0
   65    45    47    55   0.86500  1.0 1.0
   65    45    47    55  -0.17500 -1.0 2.0
   65    45    47    55   0.20800  1.0 3.0
   65    45    49    50   0.15000  1.0 3.0
   65    45    49    51   0.15000  1.0 3.0
   65    45    49    52   0.15000  1.0 3.0
   65    58    63    64   0.30150 -1.0 2.0
   65    58    63    73   0.36750  1.0 3.0
   60    57    58    59   0.15000  1.0 3.0
   60    57    58    63  -0.98800  1.0 1.0
   60    57    58    63   0.48800 -1.0 2.0
   60    57    58    63   0.76800  1.0 3.0
   60    57    58    65   0.34400  1.0 1.0
   60    57    58    65   0.09450 -1.0 2.0
   60    57    58    65   0.11100  1.0 3.0
   60    57    61    62  -0.07800  1.0 1.0
   60    57    61    62  -0.21500 -1.0 2.0
   60    57    61    62  -0.03150  1.0 3.0
   66    60    69    70   0.00000  1.0 1.0
   66    60    69    71   0.00000  1.0 1.0
   66    60    69    72   0.00000  1.0 1.0
   69    60    66    67   7.00000 -1.0 2.0
   69    60    66    68   7.00000 -1.0 2.0
   61    57    58    59   0.23400  1.0 3.0
   61    57    58    63  -0.09450  1.0 1.0
   61    57    58    63  -1.12950 -1.0 2.0
   61    57    58    63   0.54000  1.0 3.0
   61    57    58    65   0.86500  1.0 1.0
   61    57    58    65  -0.17500 -1.0 2.0
   61    57    58    65   0.20800  1.0 3.0
   61    57    60    66   0.67800  1.0 1.0
   61    57    60    66   0.47050 -1.0 2.0
   61    57    60    66  -0.62500  1.0 3.0
   61    57    60    69   0.18000  1.0 1.0
   61    57    60    69   0.16450 -1.0 2.0
   61    57    60    69   0.04450  1.0 3.0
   55    47    53    54   0.23400  1.0 3.0
   55    47    53    57   0.86500  1.0 1.0
   55    47    53    57  -0.17500 -1.0 2.0
   55    47    53    57   0.20800  1.0 3.0
   55    47    53    73   3.69350  1.0 1.0
   55    47    53    73  -1.82950 -1.0 2.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    53   0.56750  1.0 1.0
   49    45    47    53  -0.07550 -1.0 2.0
   49    45    47    53   0.20000  1.0 3.0
   49    45    47    55   0.86500  1.0 1.0
   49    45    47    55  -0.17500 -1.0 2.0
   49    45    47    55   0.20800  1.0 3.0
   49    45    65    33   0.56750  1.0 1.0
   49    45    65    33  -0.07550 -1.0 2.0
   49    45    65    33   0.20000  1.0 3.0
   49    45    65    58   0.56750  1.0 1.0
   49    45    65    58  -0.07550 -1.0 2.0
   49    45    65    58   0.20000  1.0 3.0
   49    45    65    74   0.86500  1.0 1.0
   49    45    65    74  -0.17500 -1.0 2.0
   49    45    65    74   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
   36    30    35    37  10.50000 -1.0 2.0
   58    73    63    64  10.50000 -1.0 2.0
   57    69    60    66  15.00000 -1.0 2.0
   67    68    66    60  15.00000 -1.0 2.0
END
