* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    161    257     482
    1     0 S   NP   _N1_     1    29.03155    96.32062   -19.05571
    2     1 S   H    _HN1     2     1.02780    71.23198   -67.37341
    3     1 S   H    _H1_     3     1.02962    94.84192    40.33936
    4     1 S   H    _H2_     4     1.02840    45.00483   149.69515
    5     1 S   CT   _CA1     5     1.50098   150.69686  -169.57000
    6     5 S   HC   _HA1     6     1.09567   105.30024    29.64321
    7     5 S   CO3  _C1_     7     1.53904   112.26426   -90.70596
    8     7 S   O2Z  _O11     8     1.26356   115.02614   -45.65312
    9     7 S   O2Z  _O12     9     1.26237   114.92489   133.53172
   10     5 S   CT   _CB1    10     1.53097   107.43583   147.64296
   11    10 S   HC   HB11    11     1.09814   109.64301   -49.75351
   12    10 S   HC   HB12    12     1.09823   110.26433    66.84265
   13    10 S   CT   _CG1    13     1.52989   112.55209  -170.85093
   14    13 S   HC   HG11    14     1.09572   110.22248   -56.75837
   15    13 S   HC   HG12    15     1.09605   110.26707    62.34004
   16    13 S   C    _CD1    16     1.51809   112.06376  -177.29101
   17    16 S   O    _OE1    17     1.22716   123.16194   -16.15621
   18    16 S   N    _N2_    18     1.38506   111.60682   164.17273
   19    18 S   H    _HN2    19     1.01588   118.94473     2.57108
   20    18 S   CT1  _CA2    20     1.46251   123.72460  -174.40991
   21    20 S   HC   _HA2    21     1.09726   109.38870   -18.59721
   22    20 S   C    _C2_    22     1.53402   108.06692  -134.36774
   23    22 S   O    _O2_    23     1.22985   122.43417  -145.43134
   24    20 S   CT   _CB2    32     1.53675   110.90819   103.64449
   25    24 S   HC   HB21    33     1.09265   109.22717    52.41964
   26    24 S   HC   HB22    34     1.09499   110.41777   170.83374
   27    22 S   N    _N3_    24     1.38579   113.22609    42.00533
   28    27 S   H    _HN3    25     1.01533   118.86384    -0.55708
   29    24 S   S    _SG2    35     1.83122   111.31364   -70.44989
   30    27 S   CT   _CA3    26     1.45435   123.40094   175.09208
   31    30 S   HC   HA31    27     1.09527   109.17453    25.52597
   32    30 S   HC   HA32    28     1.09494   107.13368   142.52052
   33    29 S   CT   _C14    36     1.93105   102.78446   150.15032
   34    30 S   CO3  _C3_    29     1.52929   113.17887   -97.90853
   35    34 S   O2Z  _O31    30     1.26399   115.44010   -43.68420
   36    34 S   O2Z  _O32    31     1.26361   114.96345   137.28564
   37    33 S   CM   _C9_    37     1.55139   106.25899   151.93827
   38    37 S   CM   _C10    38     1.34066   125.71202   133.98712
   39    38 S   HC   _H12    39     1.08532   122.44058   176.08328
   40    37 S   CM   _C8_    67     1.45625   114.54760   -59.51004
   41    40 S   HC   _H11    68     1.08457   118.00261   144.28055
   42    38 S   CO4  _C11    40     1.48416   120.52894     5.86789
   43    42 S   O    _O33    41     1.22837   117.68990  -177.99728
   44    40 S   CM   _C7_    69     1.35411   119.70726   -37.03865
   45    42 S   CT   _C12    42     1.53884   117.71838     6.84596
   46    45 S   HC   _H3_    43     1.10155   103.94509    70.12666
   47    44 S   CMA  _C16    70     1.49863   118.19822    -3.75724
   48    47 S   OM   _O34    71     1.26200   113.10057  -154.51780
   49    44 S   CT   _C5_    75     1.53474   120.46257   176.27811
   50    49 S   HC   _H7_    76     1.09746   109.63505  -162.94495
   51    33 S   CT   _C13    44     1.63194   108.76211   -91.23742
   52    33 S   CM   _C15    72     1.54494   106.87630    42.00478
   53    49 S   CT   _C4_    77     1.53627   112.97736   -46.52760
   54    53 S   HC   _H4_    78     1.09498   112.27530    68.83920
   55    53 S   HC   _H5_    79     1.09556   110.97806   -52.52422
   56    53 S   HC   _H6_    80     1.09584   110.25221  -171.65005
   57    49 S   CT   _C6_    81     1.53199   111.21982    77.93537
   58    57 S   HC   _H8_    82     1.09571   111.57677   -63.80011
   59    57 S   HC   _H9_    83     1.09549   110.56291   176.36110
   60    57 S   HC   _H10    84     1.09515   111.36008    56.79590
   61    51 S   CT   _C17    45     1.55587   113.14271    71.77693
   62    61 S   HC   _H14    46     1.08842   111.82624    46.34379
   63    61 S   HC   _H15    47     1.09409   110.41912   -71.15673
   64    51 S   CT   _C23    63     1.57079   110.12780   -46.16179
   65    64 S   HC   _H26    64     1.09353   113.24235   -47.92238
   66    64 S   HC   _H27    65     1.08677   112.72846  -168.97654
   67    64 S   HC   _H28    66     1.09479   111.80012    73.00657
   68    52 S   OH   _O35    73     1.38267   117.33976  -107.16080
   69    68 S   HO   _H13    74     0.97531   106.09976  -178.15453
   70    61 S   CT   _C18    48     1.52374   114.53291   166.83775
   71    70 S   HC   _H16    49     1.09392   110.99431    66.94862
   72    70 S   HC   _H17    50     1.09693   108.84155  -176.81297
   73    70 S   CT   _C19    51     1.52129   110.48817   -57.23217
   74    73 S   HC   _H18    52     1.09764   109.02692  -176.03736
   75    73 S   HC   _H19    53     1.09865   108.46965   -61.01743
   76    45 S   CT   _C20    54     1.57692   114.89320  -176.86812
   77    76 S   CT   _C21    55     1.54582   116.32597    50.46343
   78    77 S   HC   _H20    56     1.09154   113.08849   -53.12878
   79    77 S   HC   _H21    57     1.09776   110.22624  -171.88816
   80    77 S   HC   _H22    58     1.08954   113.52150    70.08849
   81    76 S   CT   _C22    59     1.55296   108.95729   -69.92153
   82    81 S   HC   _H23    60     1.09392   112.07710    66.47716
   83    81 S   HC   _H24    61     1.09596   111.36835   -54.29574
   84    81 S   HC   _H25    62     1.09656   111.08335  -173.67064
  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  11   5   4   3
  24   2   1   1  15  11   4  11   3  10   4  14  23   7   9   3
  10   8  16   4   7   3   2   1   3   2   1   1  13   6   5   5
   2   1   1   1   1   8   5   4  11   4   3   8   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    52    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    51    61    64    40    47    52    68  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    46    51    61    62    63    70    76    64    65    66    67    40    41    44    47    48    52    68    69  
   35    36  
   36  
    0  
   38    39    42    43    45    51    61    64    40    41    44    47    52    68    49  
   39    42    43    45    46    51    76    40    41    44    52  
   42    43    45    40  
   41    44    47    48    52    49    50    53    57    42    51  
   44    47    49  
   43    45    46    51    61    73    76    77    81    64  
   45    46    51    76  
   47    48    52    68    49    50    53    54    55    56    57    58    59    60  
   46    51    61    62    63    70    73    74    75    76    77    78    79    80    81    82    83    84    64    65    66    67    52  
   51    61    73    76    77    81    64  
   48    52    68    69    49    50    53    57    51  
   52    68    49  
   50    53    54    55    56    57    58    59    60    52  
   53    54    55    56    57    58    59    60  
   61    62    63    70    71    72    73    76    77    81    64    65    66    67    52    68  
   68    69    61    64  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57  
   58    59    60  
   59    60  
   60  
    0  
   62    63    70    71    72    73    74    75    76    64    65    66    67  
   63    70    71    72    73    64  
   70    71    72    73    64  
   65    66    67    70    76  
   66    67  
   67  
    0  
   69  
    0  
   71    72    73    74    75    76    77    81  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82    83    84  
   75    76    77    81  
   76    77    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   76   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   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   317.000  1.510
   33    51   268.000  1.529
   33    52   317.000  1.510
   37    38   549.000  1.340
   37    40   380.000  1.444
   38    39   340.000  1.080
   38    42   320.000  1.462
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    76   268.000  1.529
   51    61   268.000  1.529
   51    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   268.000  1.529
   76    81   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    47   465.000  1.376
   44    49   317.000  1.510
   47    48   745.000  1.250
   47    52   465.000  1.376
   52    68   510.000  1.338
   68    69   553.000  0.945
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    57   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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  112.20000
   29    33    51    75.00000  111.63000
   29    33    52    75.00000  112.20000
   33    37    38    70.00000  124.00000
   33    37    40    70.00000  124.00000
   33    51    45    58.35000  112.70000
   33    51    61    58.35000  112.70000
   33    51    64    58.35000  112.70000
   33    52    47    70.00000  124.00000
   33    52    68    90.00000  109.34000
   37    38    39    35.00000  120.00000
   37    38    42    65.00000  118.96000
   37    40    41    35.00000  120.00000
   37    40    44    70.00000  123.01800
   38    42    43    80.00000  123.72100
   38    42    45    65.00000  118.62400
   42    38    39    40.00000  117.72500
   42    45    46    35.00000  109.50000
   42    45    51    63.00000  111.10000
   42    45    76    63.00000  111.10000
   45    42    43    80.00000  120.40000
   45    51    61    58.35000  112.70000
   45    51    64    58.35000  112.70000
   45    76    73    58.35000  112.70000
   45    76    77    58.35000  112.70000
   45    76    81    58.35000  112.70000
   51    33    37    70.00000  112.02700
   51    45    46    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    70    58.35000  112.70000
   51    64    65    37.50000  110.70000
   51    64    66    37.50000  110.70000
   51    64    67    37.50000  110.70000
   61    70    71    37.50000  110.70000
   61    70    72    37.50000  110.70000
   61    70    73    58.35000  112.70000
   63    61    62    33.00000  107.80000
   70    61    62    37.50000  110.70000
   70    61    63    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    58.35000  112.70000
   73    76    81    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    45    46    37.50000  110.70000
   76    45    51    58.35000  112.70000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    77    78    37.50000  110.70000
   76    77    79    37.50000  110.70000
   76    77    80    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   64    51    61    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   40    37    38    70.00000  123.01800
   40    44    47    70.00000  117.34000
   40    44    49    70.00000  124.00000
   44    40    41    35.00000  120.00000
   44    47    48    65.00000  137.10300
   44    47    52    70.00000  123.01800
   44    49    50    35.00000  109.50000
   44    49    53    70.00000  112.02700
   44    49    57    70.00000  112.02700
   47    52    68    80.00000  121.38400
   52    33    37    70.00000  110.12100
   52    33    51    70.00000  112.02700
   52    47    48    65.00000  137.10300
   52    68    69    70.00000  107.45700
   49    44    47    70.00000  124.00000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    56    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    60    37.50000  110.70000
   53    49    50    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    52  -0.62250  1.0 1.0
   24    29    33    52  -0.38450 -1.0 2.0
   24    29    33    52   0.81900  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   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    51    45   0.44750  1.0 1.0
   29    33    51    45  -0.17800 -1.0 2.0
   29    33    51    45   0.20200  1.0 3.0
   29    33    51    61   0.44750  1.0 1.0
   29    33    51    61  -0.17800 -1.0 2.0
   29    33    51    61   0.20200  1.0 3.0
   29    33    51    64   0.44750  1.0 1.0
   29    33    51    64  -0.17800 -1.0 2.0
   29    33    51    64   0.20200  1.0 3.0
   29    33    52    47   0.42700  1.0 1.0
   29    33    52    47  -0.70350 -1.0 2.0
   29    33    52    47  -0.43150  1.0 3.0
   29    33    52    68   0.09700  1.0 1.0
   29    33    52    68   0.15600 -1.0 2.0
   29    33    52    68  -0.50800  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    40    41   0.00000  1.0 1.0
   33    37    40    44  -0.18600  1.0 3.0
   33    51    61    62   0.15000  1.0 3.0
   33    51    61    63   0.15000  1.0 3.0
   33    51    61    70   0.56750  1.0 1.0
   33    51    61    70  -0.07550 -1.0 2.0
   33    51    61    70   0.20000  1.0 3.0
   33    51    64    65   0.15000  1.0 3.0
   33    51    64    66   0.15000  1.0 3.0
   33    51    64    67   0.15000  1.0 3.0
   33    52    68    69   2.00000 -1.0 2.0
   37    33    51    45   0.34400  1.0 1.0
   37    33    51    45   0.09450 -1.0 2.0
   37    33    51    45   0.11100  1.0 3.0
   37    33    51    61   0.34400  1.0 1.0
   37    33    51    61   0.09450 -1.0 2.0
   37    33    51    61   0.11100  1.0 3.0
   37    33    51    64   0.34400  1.0 1.0
   37    33    51    64   0.09450 -1.0 2.0
   37    33    51    64   0.11100  1.0 3.0
   37    33    52    47  -0.28300  1.0 1.0
   37    33    52    47   0.26700 -1.0 2.0
   37    33    52    47  -0.63300  1.0 3.0
   37    33    52    68   0.09700  1.0 1.0
   37    33    52    68   0.15600 -1.0 2.0
   37    33    52    68  -0.50800  1.0 3.0
   37    38    42    43   1.00000 -1.0 2.0
   37    38   -42    45  -0.33500  1.0 1.0
   37    38   -42    45   1.06600 -1.0 2.0
   37    38   -42    45  -0.14000  1.0 3.0
   37    40   -44    47   7.00000 -1.0 2.0
   37    40    44    49   7.00000 -1.0 2.0
   38    37    40    41  -0.18600  1.0 3.0
   38    37    40    44   0.28850  1.0 1.0
   38    37    40    44   2.61350 -1.0 2.0
   38    37    40    44   0.78400  1.0 3.0
   38    42    45    46   0.00000  1.0 1.0
   38    42    45    51   0.65300  1.0 1.0
   38    42    45    51  -0.03850 -1.0 2.0
   38    42    45    51   0.33900  1.0 3.0
   38    42    45    76   0.65300  1.0 1.0
   38    42    45    76  -0.03850 -1.0 2.0
   38    42    45    76   0.33900  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    45   0.04550  1.0 1.0
   39    38    42    45   0.83000 -1.0 2.0
   39    38    42    45  -0.04000  1.0 3.0
   42    45   -51    33  -0.95700  1.0 1.0
   42    45   -51    33  -0.18200 -1.0 2.0
   42    45   -51    33   0.29450  1.0 3.0
   42    45    51    61  -0.95700  1.0 1.0
   42    45    51    61  -0.18200 -1.0 2.0
   42    45    51    61   0.29450  1.0 3.0
   42    45    51    64  -0.95700  1.0 1.0
   42    45    51    64  -0.18200 -1.0 2.0
   42    45    51    64   0.29450  1.0 3.0
   42    45    76    73  -0.95700  1.0 1.0
   42    45    76    73  -0.18200 -1.0 2.0
   42    45    76    73   0.29450  1.0 3.0
   42    45    76    77  -0.95700  1.0 1.0
   42    45    76    77  -0.18200 -1.0 2.0
   42    45    76    77   0.29450  1.0 3.0
   42    45    76    81  -0.95700  1.0 1.0
   42    45    76    81  -0.18200 -1.0 2.0
   42    45    76    81   0.29450  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    51   0.30150 -1.0 2.0
   43    42    45    76   0.30150 -1.0 2.0
   45    51    61    62   0.15000  1.0 3.0
   45    51    61    63   0.15000  1.0 3.0
   45    51    61    70   0.56750  1.0 1.0
   45    51    61    70  -0.07550 -1.0 2.0
   45    51    61    70   0.20000  1.0 3.0
   45    51    64    65   0.15000  1.0 3.0
   45    51    64    66   0.15000  1.0 3.0
   45    51    64    67   0.15000  1.0 3.0
   45    76    77    78   0.15000  1.0 3.0
   45    76    77    79   0.15000  1.0 3.0
   45    76    77    80   0.15000  1.0 3.0
   45    76    81    82   0.15000  1.0 3.0
   45    76    81    83   0.15000  1.0 3.0
   45    76    81    84   0.15000  1.0 3.0
   46    45    51    33   0.15000  1.0 3.0
   46    45    51    61   0.15000  1.0 3.0
   46    45    51    64   0.15000  1.0 3.0
   46    45    76    73   0.15000  1.0 3.0
   46    45    76    77   0.15000  1.0 3.0
   46    45    76    81   0.15000  1.0 3.0
   51    33   -37    38   0.09850  1.0 1.0
   51    33   -37    38   0.15250 -1.0 2.0
   51    33   -37    38  -0.50650  1.0 3.0
   51    33    37    40   0.98200  1.0 1.0
   51    33    37    40  -0.11900 -1.0 2.0
   51    33    37    40   0.24250  1.0 3.0
   51    33    52    47   0.09850  1.0 1.0
   51    33    52    47   0.15250 -1.0 2.0
   51    33    52    47  -0.50650  1.0 3.0
   51    33    52    68   0.09700  1.0 1.0
   51    33    52    68   0.15600 -1.0 2.0
   51    33    52    68  -0.50800  1.0 3.0
   51    45    76    73   0.56750  1.0 1.0
   51    45    76    73  -0.07550 -1.0 2.0
   51    45    76    73   0.20000  1.0 3.0
   51    45    76    77   0.56750  1.0 1.0
   51    45    76    77  -0.07550 -1.0 2.0
   51    45    76    77   0.20000  1.0 3.0
   51    45    76    81   0.56750  1.0 1.0
   51    45    76    81  -0.07550 -1.0 2.0
   51    45    76    81   0.20000  1.0 3.0
   51    61    70    71   0.15000  1.0 3.0
   51    61    70    72   0.15000  1.0 3.0
   51    61   -70    73   0.56750  1.0 1.0
   51    61   -70    73  -0.07550 -1.0 2.0
   51    61   -70    73   0.20000  1.0 3.0
   61    51    64    65   0.15000  1.0 3.0
   61    51    64    66   0.15000  1.0 3.0
   61    51    64    67   0.15000  1.0 3.0
   61    70    73    74   0.15000  1.0 3.0
   61    70    73    75   0.15000  1.0 3.0
   61    70    73    76   0.56750  1.0 1.0
   61    70    73    76  -0.07550 -1.0 2.0
   61    70    73    76   0.20000  1.0 3.0
   62    61    70    71   0.15000  1.0 3.0
   62    61    70    72   0.15000  1.0 3.0
   62    61    70    73   0.15000  1.0 3.0
   63    61    70    71   0.15000  1.0 3.0
   63    61    70    72   0.15000  1.0 3.0
   63    61    70    73   0.15000  1.0 3.0
   70    73   -76    45   0.56750  1.0 1.0
   70    73   -76    45  -0.07550 -1.0 2.0
   70    73   -76    45   0.20000  1.0 3.0
   70    73    76    77   0.56750  1.0 1.0
   70    73    76    77  -0.07550 -1.0 2.0
   70    73    76    77   0.20000  1.0 3.0
   70    73    76    81   0.56750  1.0 1.0
   70    73    76    81  -0.07550 -1.0 2.0
   70    73    76    81   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    77    78   0.15000  1.0 3.0
   73    76    77    79   0.15000  1.0 3.0
   73    76    77    80   0.15000  1.0 3.0
   73    76    81    82   0.15000  1.0 3.0
   73    76    81    83   0.15000  1.0 3.0
   73    76    81    84   0.15000  1.0 3.0
   74    73    76    45   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    81   0.15000  1.0 3.0
   75    73    76    45   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    81   0.15000  1.0 3.0
   76    45    51    33   0.56750  1.0 1.0
   76    45    51    33  -0.07550 -1.0 2.0
   76    45    51    33   0.20000  1.0 3.0
   76    45   -51    61   0.56750  1.0 1.0
   76    45   -51    61  -0.07550 -1.0 2.0
   76    45   -51    61   0.20000  1.0 3.0
   76    45    51    64   0.56750  1.0 1.0
   76    45    51    64  -0.07550 -1.0 2.0
   76    45    51    64   0.20000  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.15000  1.0 3.0
   81    76    77    78   0.15000  1.0 3.0
   81    76    77    79   0.15000  1.0 3.0
   81    76    77    80   0.15000  1.0 3.0
   64    51    61    62   0.15000  1.0 3.0
   64    51    61    63   0.15000  1.0 3.0
   64    51    61    70   0.56750  1.0 1.0
   64    51    61    70  -0.07550 -1.0 2.0
   64    51    61    70   0.20000  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    42   7.00000 -1.0 2.0
   40    44    47    48   7.00000 -1.0 2.0
   40    44    47    52   7.00000 -1.0 2.0
   40    44    49    50   0.00000  1.0 1.0
   40    44    49    53   0.09850  1.0 1.0
   40    44    49    53   0.15250 -1.0 2.0
   40    44    49    53  -0.50650  1.0 3.0
   40    44    49    57   0.09850  1.0 1.0
   40    44    49    57   0.15250 -1.0 2.0
   40    44    49    57  -0.50650  1.0 3.0
   41    40    44    47   7.00000 -1.0 2.0
   41    40    44    49   7.00000 -1.0 2.0
   44    47   -52    33   7.00000 -1.0 2.0
   44    47    52    68   7.00000 -1.0 2.0
   44    49    53    54   0.15000  1.0 3.0
   44    49    53    55   0.15000  1.0 3.0
   44    49    53    56   0.15000  1.0 3.0
   44    49    57    58   0.15000  1.0 3.0
   44    49    57    59   0.15000  1.0 3.0
   44    49    57    60   0.15000  1.0 3.0
   47    44    49    50   0.00000  1.0 1.0
   47    44    49    53   0.09850  1.0 1.0
   47    44    49    53   0.15250 -1.0 2.0
   47    44    49    53  -0.50650  1.0 3.0
   47    44    49    57   0.09850  1.0 1.0
   47    44    49    57   0.15250 -1.0 2.0
   47    44    49    57  -0.50650  1.0 3.0
   47    52    68    69  -0.66100  1.0 1.0
   47    52    68    69   1.20850 -1.0 2.0
   47    52    68    69  -0.36000  1.0 3.0
   48    47    52    33   7.00000 -1.0 2.0
   48    47    52    68   7.00000 -1.0 2.0
   52    33    37    38  -0.28300  1.0 1.0
   52    33    37    38   0.26700 -1.0 2.0
   52    33    37    38  -0.63300  1.0 3.0
   52    33   -37    40  -0.28300  1.0 1.0
   52    33   -37    40   0.26700 -1.0 2.0
   52    33   -37    40  -0.63300  1.0 3.0
   52    33    51    45   0.34400  1.0 1.0
   52    33    51    45   0.09450 -1.0 2.0
   52    33    51    45   0.11100  1.0 3.0
   52    33    51    61   0.34400  1.0 1.0
   52    33    51    61   0.09450 -1.0 2.0
   52    33    51    61   0.11100  1.0 3.0
   52    33    51    64   0.34400  1.0 1.0
   52    33    51    64   0.09450 -1.0 2.0
   52    33    51    64   0.11100  1.0 3.0
   49    44    47    48   7.00000 -1.0 2.0
   49    44    47    52   7.00000 -1.0 2.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    56   0.15000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    60   0.15000  1.0 3.0
   53    49    57    58   0.15000  1.0 3.0
   53    49    57    59   0.15000  1.0 3.0
   53    49    57    60   0.15000  1.0 3.0
   57    49    53    54   0.15000  1.0 3.0
   57    49    53    55   0.15000  1.0 3.0
   57    49    53    56   0.15000  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
   33    40    37    38   1.10000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   38    45    42    43  10.50000 -1.0 2.0
   37    41    40    44   1.10000 -1.0 2.0
   47    49    44    40   1.10000 -1.0 2.0
   44    48    47    52   1.10000 -1.0 2.0
   33    68    52    47   1.10000 -1.0 2.0
END
