* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    160    252     476
    1     0 S   NP   _N1_     1    28.93572    93.08792   -23.15844
    2     1 S   H    _HN1     2     1.02966    86.13824    42.52917
    3     1 S   H    _H1_     3     1.02816    22.95646  -161.29075
    4     1 S   H    _H2_     4     1.02784   107.06955   -65.38726
    5     1 S   CT   _CA1     5     1.50159   128.80831   155.62276
    6     5 S   HC   _HA1     6     1.09575   105.20474    75.63180
    7     5 S   CO3  _C1_     7     1.53775   112.49816   -44.51305
    8     7 S   O2Z  _O11     8     1.26363   115.03638   -41.23561
    9     7 S   O2Z  _O12     9     1.26250   114.94226   137.84473
   10     5 S   CT   _CB1    10     1.53020   107.29932  -166.52134
   11    10 S   HC   HB11    11     1.09843   109.19074   -50.87155
   12    10 S   HC   HB12    12     1.09825   110.40129    65.56883
   13    10 S   CT   _CG1    13     1.53031   112.87214  -172.03489
   14    13 S   HC   HG11    14     1.09578   110.52954   -65.85953
   15    13 S   HC   HG12    15     1.09650   110.01735    53.55353
   16    13 S   C    _CD1    16     1.51714   111.98958   173.71862
   17    16 S   O    _OE1    17     1.22681   123.09028    -0.07402
   18    16 S   N    _N2_    18     1.38564   111.95307  -179.79537
   19    18 S   H    _HN2    19     1.01588   119.05459    -1.12761
   20    18 S   CT1  _CA2    20     1.46136   123.03648   178.17072
   21    20 S   HC   _HA2    21     1.09336   108.68597   -19.36098
   22    20 S   C    _C2_    22     1.53099   107.69673  -133.67306
   23    22 S   O    _O2_    23     1.22931   122.85319  -139.92928
   24    20 S   CT   _CB2    32     1.53188   112.25830   102.74928
   25    24 S   HC   HB21    33     1.09613   109.87610    52.52772
   26    24 S   HC   HB22    34     1.09537   111.51524   170.81245
   27    22 S   N    _N3_    24     1.38515   112.69768    47.60039
   28    27 S   H    _HN3    25     1.01677   119.41110    -4.81259
   29    24 S   S    _SG2    35     1.82726   112.79451   -67.17794
   30    27 S   CT   _CA3    26     1.45237   123.16977   175.65229
   31    30 S   HC   HA31    27     1.09558   107.89111   -54.02568
   32    30 S   HC   HA32    28     1.09542   107.60092    62.40245
   33    29 S   CT   _C21    36     1.82795    99.85188   -79.19080
   34    33 S   HC   _H22    37     1.09116   109.19182    35.51362
   35    33 S   HC   _H23    38     1.09563   108.48250   -80.06633
   36    30 S   CO3  _C3_    29     1.52920   114.06587  -175.96172
   37    36 S   O2Z  _O31    30     1.26366   116.04112    -2.38318
   38    36 S   O2Z  _O32    31     1.26412   114.42674   177.63984
   39    33 S   CM   _C19    39     1.52060   110.83053   159.64323
   40    39 S   CMA  _C18    40     1.36760   123.91288  -114.41403
   41    40 S   OM   _O38    41     1.26907   124.83665   178.96240
   42    39 S   CT   _C20    81     1.52019   113.66641    68.39426
   43    42 S   HC   _H19    82     1.09435   110.75958   -72.42752
   44    42 S   HC   _H20    83     1.09559   110.05959    47.56736
   45    42 S   HC   _H21    84     1.09419   113.46997   166.76201
   46    40 S   OS   _O37    42     1.42133   111.82953    -0.44499
   47    46 S   CT   _C11    43     1.46091   117.73560  -147.42880
   48    47 S   HC   _H5_    44     1.09375   107.27799   -42.14012
   49    47 S   CT   _C12    45     1.55881   107.46865    76.11133
   50    49 S   HC   _H6_    46     1.09836   106.09236   -27.37550
   51    47 S   CT   _C10    66     1.55059   106.82079  -155.68127
   52    49 S   CT   _C13    47     1.54080   117.31390  -145.62369
   53    52 S   HC   _H7_    48     1.09960   108.04516   147.44261
   54    51 S   CT   _C22    67     1.54395   114.20683   177.81806
   55    54 S   HC   _H24    68     1.08505   113.81609    74.44141
   56    54 S   HC   _H25    69     1.09472   110.84035   -47.87977
   57    54 S   HC   _H26    70     1.09749   112.17864  -165.99599
   58    52 S   CO4  _C14    49     1.50523   103.19058  -101.09400
   59    58 S   O    _O34    50     1.22084   126.33020   162.32026
   60    52 S   CT   _C17    77     1.51679   118.47968    24.77110
   61    60 S   HC   _H16    78     1.09272   112.53914   -66.92290
   62    60 S   HC   _H17    79     1.09610   110.16052   174.52833
   63    60 S   HC   _H18    80     1.09389   111.09058    55.58000
   64    58 S   OS   _O35    51     1.36746   109.37401   -18.90009
   65    49 S   CT   _C15    52     1.52961   120.54405    92.31784
   66    65 S   HC   _H8_    53     1.10159   106.56709  -153.43679
   67    65 S   CT   _C16    54     1.53296   122.08060   -31.91157
   68    67 S   HC   _H9_    55     1.09685   109.10276   -53.04557
   69    67 S   CT   _C5_    56     1.55488   118.00944    72.51730
   70    69 S   HC   _H3_    57     1.09521   109.77587    50.74143
   71    67 S   OH   _O36    75     1.43989   106.04912  -166.81383
   72    71 S   HO   _H15    76     0.97237   107.79101    64.36707
   73    69 S   CT   _C6_    58     1.54084   109.57932   -71.81581
   74    73 S   HC   _H4_    59     1.09744   105.35558   -50.75838
   75    69 S   CT   _C4_    71     1.54391   109.64844   166.33272
   76    75 S   HC   _H10    72     1.09458   111.09312    61.56909
   77    75 S   HC   _H11    73     1.09486   111.61365   -59.03141
   78    75 S   HC   _H12    74     1.09393   111.56311  -177.16835
   79    73 S   CM   _C7_    60     1.50950   119.53804  -165.80006
   80    79 S   HC   _H13    61     1.08139   123.98703    36.34953
   81    79 S   CM   _C8_    62     1.33544   113.74592  -152.61312
   82    81 S   HC   _H14    63     1.07478   128.92874  -173.78770
   83    81 S   CO4  _C9_    64     1.47428   105.21962     6.43227
   84    83 S   O    _O33    65     1.22179   122.55183  -171.45831
  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   6   5   4   3
  10   4   3   2   1   1   8  10   3   4   2   1   1  10  23   8
  20   9  18  11   8  10   4   3   2   9   3   5   2   1   1   6
   9   4  12   6  13   8   3   1  11   5   4   2   1   1   5   3
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    51    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    52    65    73    83    51    54  
   48    49    50    52    53    58    64    65    66    67    69    73    74    79    81    83    84    51    54    55    56    57    60  
   49    50    52    65    73    83    51    54  
   50    52    53    58    59    64    65    66    67    68    69    73    83    51    54    71    60    61    62    63  
   52    53    58    64    65    66    67    51    60  
   54    55    56    57    75    52    65    67    69    70    73    74    79    80    81    82    83    84  
   53    58    59    64    65    66    67    60    61    62    63  
   58    59    64    65    60    61    62    63  
   55    56    57    69    73    74    79    81    83    84  
   56    57    73    83  
   57    73    83  
   73    83  
   59    64    65    66    67    60    61    62    63  
   64    65    60  
   61    62    63    64    65  
   62    63  
   63  
    0  
   65    66    67    68    69    71  
   66    67    68    69    70    73    75    71    72  
   67    68    69    71  
   68    69    70    73    74    79    75    76    77    78    71    72  
   69    70    73    75    71    72  
   70    73    74    79    80    81    83    75    76    77    78    71    72  
   73    74    79    75    76    77    78    71  
   72    73    75  
    0  
   74    79    80    81    82    83    84    75    76    77    78  
   79    80    81    83    75  
   76    77    78    79  
   77    78  
   78  
    0  
   80    81    82    83    84  
   81    82    83  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   268.000  1.529
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    65   268.000  1.529
   52    53   340.000  1.090
   52    58   317.000  1.522
   52    60   268.000  1.529
   58    59   570.000  1.229
   58    64   214.000  1.327
   64    65   320.000  1.410
   65    66   340.000  1.090
   65    67   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   320.000  1.410
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   268.000  1.529
   73    74   340.000  1.090
   73    79   317.000  1.510
   73    51   268.000  1.529
   79    80   340.000  1.080
   79    81   549.000  1.340
   81    82   340.000  1.080
   81    83   320.000  1.462
   83    84   570.000  1.229
   83    51   317.000  1.522
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   71    72   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    51    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    52    58.35000  112.70000
   47    49    65    58.35000  112.70000
   47    51    73    58.35000  112.70000
   47    51    83    63.00000  111.10000
   47    51    54    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    58    63.00000  111.10000
   49    52    60    58.35000  112.70000
   49    65    64    50.00000  109.50000
   49    65    66    37.50000  110.70000
   49    65    67    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    58    59    80.00000  120.40000
   52    58    64    81.00000  111.40000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   58    52    53    35.00000  109.50000
   58    64    65    83.00000  116.90000
   64    58    59    83.00000  123.40000
   64    65    66    35.00000  109.50000
   64    65    67    50.00000  109.50000
   65    49    50    37.50000  110.70000
   65    49    52    58.35000  112.70000
   65    67    68    37.50000  110.70000
   65    67    69    58.35000  112.70000
   65    67    71    50.00000  109.50000
   67    65    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    73    58.35000  112.70000
   67    69    75    58.35000  112.70000
   67    71    72    55.00000  108.50000
   69    67    68    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    79    70.00000  112.02700
   69    73    51    58.35000  112.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   73    69    70    37.50000  110.70000
   73    79    80    35.00000  117.00000
   73    79    81    70.00000  124.00000
   73    51    83    63.00000  111.10000
   73    51    54    58.35000  112.70000
   79    73    74    35.00000  109.50000
   79    81    82    35.00000  120.00000
   79    81    83    65.00000  118.96000
   81    79    80    35.00000  120.00000
   81    83    84    80.00000  123.72100
   81    83    51    65.00000  118.62400
   83    81    82    40.00000  117.72500
   83    51    54    63.00000  111.10000
   51    47    48    37.50000  110.70000
   51    47    49    58.35000  112.70000
   51    73    74    37.50000  110.70000
   51    73    79    70.00000  112.02700
   51    83    84    80.00000  120.40000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   71    67    68    35.00000  109.50000
   71    67    69    50.00000  109.50000
   60    52    53    37.50000  110.70000
   60    52    58    63.00000  111.10000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   42    39    40    70.00000  124.00000
   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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.46850  1.0 1.0
   40    46    47    49   0.09300 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    51  -0.46850  1.0 1.0
   40    46    47    51   0.09300 -1.0 2.0
   40    46    47    51  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    52   0.62750  1.0 1.0
   46    47    49    52  -0.30950 -1.0 2.0
   46    47    49    52   0.27300  1.0 3.0
   46    47    49    65   0.62750  1.0 1.0
   46    47    49    65  -0.30950 -1.0 2.0
   46    47    49    65   0.27300  1.0 3.0
   46    47    51    73   0.62750  1.0 1.0
   46    47    51    73  -0.30950 -1.0 2.0
   46    47    51    73   0.27300  1.0 3.0
   46    47    51    83  -0.09450  1.0 1.0
   46    47    51    83  -1.12950 -1.0 2.0
   46    47    51    83   0.54000  1.0 3.0
   46    47    51    54   0.62750  1.0 1.0
   46    47    51    54  -0.30950 -1.0 2.0
   46    47    51    54   0.27300  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    58  -0.95700  1.0 1.0
   47    49    52    58  -0.18200 -1.0 2.0
   47    49    52    58   0.29450  1.0 3.0
   47    49    52    60   0.56750  1.0 1.0
   47    49    52    60  -0.07550 -1.0 2.0
   47    49    52    60   0.20000  1.0 3.0
   47    49    65    64   0.62750  1.0 1.0
   47    49    65    64  -0.30950 -1.0 2.0
   47    49    65    64   0.27300  1.0 3.0
   47    49    65    66   0.15000  1.0 3.0
   47    49    65    67   0.56750  1.0 1.0
   47    49    65    67  -0.07550 -1.0 2.0
   47    49    65    67   0.20000  1.0 3.0
   47    51    54    55   0.15000  1.0 3.0
   47    51    54    56   0.15000  1.0 3.0
   47    51    54    57   0.15000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    49    65   0.15000  1.0 3.0
   48    47    51    73   0.15000  1.0 3.0
   48    47    51    83  -0.11250  1.0 3.0
   48    47    51    54   0.15000  1.0 3.0
   49    47    51    73   0.56750  1.0 1.0
   49    47    51    73  -0.07550 -1.0 2.0
   49    47    51    73   0.20000  1.0 3.0
   49    47    51    83  -0.95700  1.0 1.0
   49    47    51    83  -0.18200 -1.0 2.0
   49    47    51    83   0.29450  1.0 3.0
   49    47    51    54   0.56750  1.0 1.0
   49    47    51    54  -0.07550 -1.0 2.0
   49    47    51    54   0.20000  1.0 3.0
   49    52    58    59   0.30150 -1.0 2.0
   49    52   -58    64   0.36750  1.0 3.0
   49    52    60    61   0.15000  1.0 3.0
   49    52    60    62   0.15000  1.0 3.0
   49    52    60    63   0.15000  1.0 3.0
   49    65    67    68   0.15000  1.0 3.0
   49    65    67    69   0.56750  1.0 1.0
   49    65    67    69  -0.07550 -1.0 2.0
   49    65    67    69   0.20000  1.0 3.0
   49    65    67    71   0.86500  1.0 1.0
   49    65    67    71  -0.17500 -1.0 2.0
   49    65    67    71   0.20800  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    58  -0.11250  1.0 3.0
   50    49    52    60   0.15000  1.0 3.0
   50    49    65    64   0.23400  1.0 3.0
   50    49    65    66   0.15000  1.0 3.0
   50    49    65    67   0.15000  1.0 3.0
   52    49   -65    64   0.62750  1.0 1.0
   52    49   -65    64  -0.30950 -1.0 2.0
   52    49   -65    64   0.27300  1.0 3.0
   52    49    65    66   0.15000  1.0 3.0
   52    49    65    67   0.56750  1.0 1.0
   52    49    65    67  -0.07550 -1.0 2.0
   52    49    65    67   0.20000  1.0 3.0
   52    58   -64    65   1.63150  1.0 1.0
   52    58   -64    65   2.92000 -1.0 2.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    64   0.00000  1.0 1.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   58    52    60    61  -0.11250  1.0 3.0
   58    52    60    62  -0.11250  1.0 3.0
   58    52    60    63  -0.11250  1.0 3.0
   58    64   -65    49  -0.25900  1.0 1.0
   58    64   -65    49  -0.47000 -1.0 2.0
   58    64   -65    49   0.11750  1.0 3.0
   58    64    65    66   0.08050  1.0 3.0
   58    64    65    67  -0.25900  1.0 1.0
   58    64    65    67  -0.47000 -1.0 2.0
   58    64    65    67   0.11750  1.0 3.0
   59    58    64    65   3.00000 -1.0 2.0
   64    65    67    68   0.23400  1.0 3.0
   64    65    67    69   0.62750  1.0 1.0
   64    65    67    69  -0.30950 -1.0 2.0
   64    65    67    69   0.27300  1.0 3.0
   64    65    67    71   3.69350  1.0 1.0
   64    65    67    71  -1.82950 -1.0 2.0
   65    49    52    53   0.15000  1.0 3.0
   65    49   -52    58  -0.95700  1.0 1.0
   65    49   -52    58  -0.18200 -1.0 2.0
   65    49   -52    58   0.29450  1.0 3.0
   65    49    52    60   0.56750  1.0 1.0
   65    49    52    60  -0.07550 -1.0 2.0
   65    49    52    60   0.20000  1.0 3.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    73   0.56750  1.0 1.0
   65    67    69    73  -0.07550 -1.0 2.0
   65    67    69    73   0.20000  1.0 3.0
   65    67    69    75   0.56750  1.0 1.0
   65    67    69    75  -0.07550 -1.0 2.0
   65    67    69    75   0.20000  1.0 3.0
   65    67    71    72  -0.11600  1.0 1.0
   65    67    71    72  -0.09450 -1.0 2.0
   65    67    71    72   0.21250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.23400  1.0 3.0
   67    69    73    74   0.15000  1.0 3.0
   67    69    73    79   0.34400  1.0 1.0
   67    69    73    79   0.09450 -1.0 2.0
   67    69    73    79   0.11100  1.0 3.0
   67    69    73    51   0.56750  1.0 1.0
   67    69    73    51  -0.07550 -1.0 2.0
   67    69    73    51   0.20000  1.0 3.0
   67    69    75    76   0.15000  1.0 3.0
   67    69    75    77   0.15000  1.0 3.0
   67    69    75    78   0.15000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.15000  1.0 3.0
   68    67    69    75   0.15000  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    67    71    72  -0.11600  1.0 1.0
   69    67    71    72  -0.09450 -1.0 2.0
   69    67    71    72   0.21250  1.0 3.0
   69    73    79    80   0.00000  1.0 1.0
   69    73    79    81   0.09850  1.0 1.0
   69    73    79    81   0.15250 -1.0 2.0
   69    73    79    81  -0.50650  1.0 3.0
   69    73    51    47   0.56750  1.0 1.0
   69    73    51    47  -0.07550 -1.0 2.0
   69    73    51    47   0.20000  1.0 3.0
   69    73    51    83  -0.95700  1.0 1.0
   69    73    51    83  -0.18200 -1.0 2.0
   69    73    51    83   0.29450  1.0 3.0
   69    73    51    54   0.56750  1.0 1.0
   69    73    51    54  -0.07550 -1.0 2.0
   69    73    51    54   0.20000  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    79   0.15000  1.0 3.0
   70    69    73    51   0.15000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   73    69    75    76   0.15000  1.0 3.0
   73    69    75    77   0.15000  1.0 3.0
   73    69    75    78   0.15000  1.0 3.0
   73    79    81    82   7.00000 -1.0 2.0
   73    79   -81    83   7.00000 -1.0 2.0
   73    51    54    55   0.15000  1.0 3.0
   73    51    54    56   0.15000  1.0 3.0
   73    51    54    57   0.15000  1.0 3.0
   74    73    79    80   0.33100  1.0 3.0
   74    73    79    81   0.00000  1.0 1.0
   74    73    51    47   0.15000  1.0 3.0
   74    73    51    83  -0.11250  1.0 3.0
   74    73    51    54   0.15000  1.0 3.0
   79    73    51    47   0.34400  1.0 1.0
   79    73    51    47   0.09450 -1.0 2.0
   79    73    51    47   0.11100  1.0 3.0
   79    73   -51    83  -0.98800  1.0 1.0
   79    73   -51    83   0.48800 -1.0 2.0
   79    73   -51    83   0.76800  1.0 3.0
   79    73    51    54   0.34400  1.0 1.0
   79    73    51    54   0.09450 -1.0 2.0
   79    73    51    54   0.11100  1.0 3.0
   79    81    83    84   1.00000 -1.0 2.0
   79    81   -83    51  -0.33500  1.0 1.0
   79    81   -83    51   1.06600 -1.0 2.0
   79    81   -83    51  -0.14000  1.0 3.0
   80    79    81    82   7.00000 -1.0 2.0
   80    79    81    83   7.00000 -1.0 2.0
   81    83    51    47   0.65300  1.0 1.0
   81    83    51    47  -0.03850 -1.0 2.0
   81    83    51    47   0.33900  1.0 3.0
   81    83   -51    73   0.65300  1.0 1.0
   81    83   -51    73  -0.03850 -1.0 2.0
   81    83   -51    73   0.33900  1.0 3.0
   81    83    51    54   0.65300  1.0 1.0
   81    83    51    54  -0.03850 -1.0 2.0
   81    83    51    54   0.33900  1.0 3.0
   82    81    83    84   0.00000  1.0 1.0
   82    81    83    51   0.04550  1.0 1.0
   82    81    83    51   0.83000 -1.0 2.0
   82    81    83    51  -0.04000  1.0 3.0
   83    51    54    55  -0.11250  1.0 3.0
   83    51    54    56  -0.11250  1.0 3.0
   83    51    54    57  -0.11250  1.0 3.0
   84    83    51    47   0.30150 -1.0 2.0
   84    83    51    73   0.30150 -1.0 2.0
   84    83    51    54   0.30150 -1.0 2.0
   51    47    49    50   0.15000  1.0 3.0
   51    47    49    52   0.56750  1.0 1.0
   51    47    49    52  -0.07550 -1.0 2.0
   51    47    49    52   0.20000  1.0 3.0
   51    47    49    65   0.56750  1.0 1.0
   51    47    49    65  -0.07550 -1.0 2.0
   51    47    49    65   0.20000  1.0 3.0
   51    73    79    80   0.00000  1.0 1.0
   51    73   -79    81   0.09850  1.0 1.0
   51    73   -79    81   0.15250 -1.0 2.0
   51    73   -79    81  -0.50650  1.0 3.0
   75    69    73    74   0.15000  1.0 3.0
   75    69    73    79   0.34400  1.0 1.0
   75    69    73    79   0.09450 -1.0 2.0
   75    69    73    79   0.11100  1.0 3.0
   75    69    73    51   0.56750  1.0 1.0
   75    69    73    51  -0.07550 -1.0 2.0
   75    69    73    51   0.20000  1.0 3.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73   0.86500  1.0 1.0
   71    67    69    73  -0.17500 -1.0 2.0
   71    67    69    73   0.20800  1.0 3.0
   71    67    69    75   0.86500  1.0 1.0
   71    67    69    75  -0.17500 -1.0 2.0
   71    67    69    75   0.20800  1.0 3.0
   60    52    58    59   0.30150 -1.0 2.0
   60    52    58    64   0.36750  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   52    64    58    59  10.50000 -1.0 2.0
   73    80    79    81   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   81    51    83    84  10.50000 -1.0 2.0
END
