* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    164    242     471
    1     0 S   NP   _N1_     1    28.82979    95.84428   -20.84328
    2     1 S   H    _HN1     2     1.02950    78.95418    23.19919
    3     1 S   H    _H1_     3     1.02831    39.88620   157.56912
    4     1 S   H    _H2_     4     1.02780    91.13228   -85.31715
    5     1 S   CT   _CA1     5     1.50139   148.98823   134.53267
    6     5 S   HC   _HA1     6     1.09579   105.15157    74.72226
    7     5 S   CO3  _C1_     7     1.53720   112.47722   -45.32421
    8     7 S   O2Z  _O11     8     1.26374   115.01062   -40.88019
    9     7 S   O2Z  _O12     9     1.26247   114.93815   138.40817
   10     5 S   CT   _CB1    10     1.53116   107.40592  -167.41155
   11    10 S   HC   HB11    11     1.09824   109.13074   -50.28698
   12    10 S   HC   HB12    12     1.09813   110.51099    66.24404
   13    10 S   CT   _CG1    13     1.53006   112.74820  -171.38308
   14    13 S   HC   HG11    14     1.09564   110.52875   -67.80397
   15    13 S   HC   HG12    15     1.09681   109.85923    51.32236
   16    13 S   C    _CD1    16     1.51896   112.40532   171.40056
   17    16 S   O    _OE1    17     1.22719   123.33275     1.07228
   18    16 S   N    _N2_    18     1.38618   111.57017  -178.28263
   19    18 S   H    _HN2    19     1.01590   118.84004    -0.23903
   20    18 S   CT1  _CA2    20     1.46298   123.60167   176.04933
   21    20 S   HC   _HA2    21     1.09739   109.43321    -4.24076
   22    20 S   C    _C2_    22     1.53507   108.17635  -119.48458
   23    22 S   O    _O2_    23     1.23035   122.42820  -147.49400
   24    20 S   CT   _CB2    32     1.53242   111.44718   118.15781
   25    24 S   HC   HB21    33     1.09602   109.91363    51.89568
   26    24 S   HC   HB22    34     1.09495   110.85088   171.17864
   27    22 S   N    _N3_    24     1.38381   113.51059    40.03213
   28    27 S   H    _HN3    25     1.01619   119.49842    -3.64937
   29    24 S   S    _SG2    35     1.82472   111.39117   -69.30296
   30    27 S   CT   _CA3    26     1.45285   123.19364   176.99704
   31    30 S   HC   HA31    27     1.09551   107.53224   -63.77700
   32    30 S   HC   HA32    28     1.09557   107.95122    52.64873
   33    29 S   CT   _C23    36     1.81973    98.74226   166.11284
   34    33 S   HC   _H24    37     1.09580   109.25149    59.38233
   35    33 S   HC   _H25    38     1.09358   108.31524   -56.21201
   36    30 S   CO3  _C3_    29     1.52950   114.09380   174.61129
   37    36 S   O2Z  _O31    30     1.26375   116.05001    -1.11610
   38    36 S   O2Z  _O32    31     1.26429   114.41674   178.94668
   39    33 S   CM   _C21    39     1.51972   110.78998  -179.64668
   40    39 S   CMA  _C20    40     1.36724   123.81378   101.43068
   41    40 S   OM   _O38    41     1.26887   124.78929   178.02553
   42    39 S   CT   _C22    85     1.51815   113.11230   -81.20506
   43    42 S   HC   _H21    86     1.09541   109.96590   -56.94898
   44    42 S   HC   _H22    87     1.09470   110.49639    62.66149
   45    42 S   HC   _H23    88     1.09388   113.67683  -176.93740
   46    40 S   OS   _O37    42     1.42091   111.10261    -2.51917
   47    46 S   CT   _C10    43     1.44413   119.13827   172.64678
   48    47 S   HC   _H3_    44     1.09888   110.38066   -29.00120
   49    47 S   CT   _C9_    45     1.55069   108.57390    89.31948
   50    49 S   HC   _H13    46     1.09860   107.98204   -66.31191
   51    49 S   HC   _H14    47     1.09245   110.17599  -177.80983
   52    47 S   CT   _C11    59     1.55782   107.70766  -144.85498
   53    52 S   HC   _H4_    60     1.09586   109.38370   -51.21647
   54    49 S   CM   _C8_    48     1.51920   116.85816    53.75855
   55    52 S   CM   _C18    61     1.50708   114.33126    68.41847
   56    54 S   CM   _C7_    49     1.34828   126.81634    93.75905
   57    56 S   HC   _H12    50     1.09048   116.54022   179.16937
   58    55 S   CO4  _C17    62     1.47394   110.46092   135.38485
   59    58 S   O    _O36    63     1.21800   127.22972   173.63253
   60    55 S   CM   _C19    65     1.33724   130.92499   -44.82295
   61    60 S   HC   _H19    66     1.08113   122.06565    -0.57061
   62    60 S   HC   _H20    67     1.08571   121.81267   179.89165
   63    54 S   CT   _C24    81     1.51118   114.77877   -90.07485
   64    63 S   HC   _H26    82     1.09504   110.35679   -54.40028
   65    63 S   HC   _H27    83     1.09521   112.65122  -173.95837
   66    63 S   HC   _H28    84     1.08949   110.76972    65.90433
   67    56 S   CO   _C6_    51     1.50889   131.37536    -0.27554
   68    86 S   OS   _O35    64     1.44082   106.85074   -75.00730
   69    67 S   CM   _C15    52     1.49405   110.21776  -110.80172
   70    69 S   HC   _H15    53     1.08107   124.28250   -63.84906
   71    67 S   OS   _O33    73     1.43400   110.49561   131.93165
   72    69 S   CM   _C14    54     1.33251   110.46028   116.47213
   73    71 S   CT   _C5_    74     1.42607   114.51235   -71.29013
   74    73 S   HC   _H10    75     1.09492   110.01525   -62.07421
   75    73 S   HC   _H11    76     1.09467   110.61802    58.67145
   76    72 S   CT   _C13    55     1.49294   109.29066     0.63827
   77    76 S   HC   _H6_    56     1.09735   108.65822   118.26695
   78    72 S   CT   _C16    69     1.48414   127.17941   178.60900
   79    78 S   HC   _H16    70     1.09344   110.85214   114.88296
   80    78 S   HC   _H17    71     1.09504   111.42539    -4.97862
   81    78 S   HC   _H18    72     1.09436   110.42524  -124.66990
   82    73 S   CT   _C4_    77     1.51647   108.04953   178.38130
   83    82 S   HC   _H7_    78     1.09510   110.59311   -59.28341
   84    82 S   HC   _H8_    79     1.09503   110.62437    58.98904
   85    82 S   HC   _H9_    80     1.09357   110.90645   179.86878
   86    76 S   CT   _C12    57     1.53800   117.32296  -117.45952
   87    86 S   HC   _H5_    58     1.09841   108.18000   171.08780
   88    67 S   OS   _O34    68     1.43580   112.71454     5.76749
  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  16   8
  14   5   4  15   7  10   9  13   5   8   3   4   1   1   4   2
   1   1  13   6  12   5  10   9   7   5   4   8   4   5   2   1
   1   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    52    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    51    54    86    52    53    55  
   48    49    50    51    54    56    76    86    87    52    53    55    58    68    60    63  
   49    50    51    54    86    52    53    55  
   50    51    54    56    57    67    86    52    53    55    63    64    65    66  
   51    54    56    52    63  
   54    56    52    63  
   53    55    58    59    68    60    61    62    88    54    72    76    77    86    87  
   55    58    68    60    76    86    87  
   56    57    67    69    88    71    63    64    65    66  
   58    59    68    60    61    62    76    86    87  
   57    67    69    70    72    76    88    71    73    63    64    65    66  
   67    69    88    71    63  
   59    68    60    61    62    76    86    87  
   68    60    86  
   61    62    68    86  
   62  
    0  
   64    65    66    67  
   65    66  
   66  
    0  
   69    70    72    76    77    86    88    78    71    73    74    75    82  
   88    72    76    77    86    87  
   70    72    76    77    86    88    78    79    80    81    71    73  
   72    76    88    78    71  
   73    74    75    82    83    84    85    72    76    88  
   76    77    86    87    88    78    79    80    81  
   74    75    82    83    84    85    88  
   75    82    83    84    85  
   82    83    84    85  
   77    86    87    88    78    79    80    81  
   86    87    88    78  
   79    80    81    86    88  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
   87    88  
   88  
    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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   317.000  1.510
   54    56   549.000  1.340
   54    63   317.000  1.510
   56    57   340.000  1.080
   56    67   317.000  1.510
   67    69   317.000  1.510
   67    88   320.000  1.380
   67    71   320.000  1.380
   69    70   340.000  1.080
   69    72   549.000  1.340
   72    76   317.000  1.510
   72    78   317.000  1.510
   76    77   340.000  1.090
   76    86   268.000  1.529
   76    88   320.000  1.410
   86    87   340.000  1.090
   86    52   268.000  1.529
   86    68   320.000  1.410
   52    53   340.000  1.090
   52    55   317.000  1.510
   55    58   320.000  1.462
   55    60   549.000  1.340
   58    59   570.000  1.229
   58    68   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   71    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    52    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    70.00000  112.02700
   47    52    86    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    55    70.00000  112.02700
   49    47    48    37.50000  110.70000
   49    54    56    70.00000  124.00000
   49    54    63    65.00000  117.92700
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    56    57    35.00000  120.00000
   54    56    67    70.00000  124.00000
   54    63    64    35.00000  109.50000
   54    63    65    35.00000  109.50000
   54    63    66    35.00000  109.50000
   56    67    69    70.00000  110.12100
   56    67    88    85.00000  110.90400
   56    67    71    85.00000  110.90400
   67    56    57    35.00000  117.00000
   67    69    70    35.00000  117.00000
   67    69    72    70.00000  124.00000
   67    88    76    60.00000  109.50000
   67    71    73    60.00000  109.50000
   69    72    76    70.00000  124.00000
   69    72    78    70.00000  124.00000
   72    69    70    35.00000  120.00000
   72    76    77    35.00000  109.50000
   72    76    86    70.00000  112.02700
   72    76    88    85.00000  110.90400
   72    78    79    35.00000  109.50000
   72    78    80    35.00000  109.50000
   72    78    81    35.00000  109.50000
   76    86    87    37.50000  110.70000
   76    86    52    58.35000  112.70000
   76    86    68    50.00000  109.50000
   86    76    77    37.50000  110.70000
   86    52    53    37.50000  110.70000
   86    52    55    70.00000  112.02700
   86    68    58    83.00000  116.90000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    86    87    37.50000  110.70000
   52    55    58    65.00000  116.34900
   52    55    60    70.00000  124.00000
   55    52    53    35.00000  109.50000
   55    58    59    80.00000  123.72100
   55    58    68    90.00000  111.29400
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   68    86    87    35.00000  109.50000
   68    86    52    50.00000  109.50000
   68    58    59    83.00000  123.40000
   60    55    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   88    67    69    85.00000  110.90400
   88    76    77    35.00000  109.50000
   88    76    86    50.00000  109.50000
   78    72    76    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   71    67    69    85.00000  110.90400
   71    67    88    92.60000  111.55000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    82    50.00000  109.50000
   73    82    83    37.50000  110.70000
   73    82    84    37.50000  110.70000
   73    82    85    37.50000  110.70000
   75    73    74    33.00000  107.80000
   82    73    74    37.50000  110.70000
   82    73    75    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   63    54    56    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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    52  -0.46850  1.0 1.0
   40    46    47    52   0.09300 -1.0 2.0
   40    46    47    52  -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    51   0.23400  1.0 3.0
   46    47    49    54   0.61850  1.0 1.0
   46    47    49    54  -0.22750 -1.0 2.0
   46    47    49    54   0.15300  1.0 3.0
   46    47    52    86   0.62750  1.0 1.0
   46    47    52    86  -0.30950 -1.0 2.0
   46    47    52    86   0.27300  1.0 3.0
   46    47    52    53   0.23400  1.0 3.0
   46    47    52    55   0.61850  1.0 1.0
   46    47    52    55  -0.22750 -1.0 2.0
   46    47    52    55   0.15300  1.0 3.0
   47    49    54    56   0.09850  1.0 1.0
   47    49    54    56   0.15250 -1.0 2.0
   47    49    54    56  -0.50650  1.0 3.0
   47    49    54    63   0.46850  1.0 1.0
   47    49    54    63   0.08550 -1.0 2.0
   47    49    54    63   0.09800  1.0 3.0
   47    52    55    58   0.09700  1.0 1.0
   47    52    55    58   0.15600 -1.0 2.0
   47    52    55    58  -0.50800  1.0 3.0
   47    52    55    60   0.09850  1.0 1.0
   47    52    55    60   0.15250 -1.0 2.0
   47    52    55    60  -0.50650  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    52    86   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    86   0.56750  1.0 1.0
   49    47    52    86  -0.07550 -1.0 2.0
   49    47    52    86   0.20000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    55   0.34400  1.0 1.0
   49    47    52    55   0.09450 -1.0 2.0
   49    47    52    55   0.11100  1.0 3.0
   49    54    56    57   7.00000 -1.0 2.0
   49    54    56    67   7.00000 -1.0 2.0
   49    54    63    64   0.34800  1.0 3.0
   49    54    63    65   0.34800  1.0 3.0
   49    54    63    66   0.34800  1.0 3.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    54    63   0.34800  1.0 3.0
   51    49    54    56   0.00000  1.0 1.0
   51    49    54    63   0.34800  1.0 3.0
   54    56    67    69  -0.28300  1.0 1.0
   54    56    67    69   0.26700 -1.0 2.0
   54    56    67    69  -0.63300  1.0 3.0
   54    56    67    88   0.39000  1.0 1.0
   54    56    67    88  -0.05800 -1.0 2.0
   54    56    67    88  -0.55150  1.0 3.0
   54    56    67    71   0.39000  1.0 1.0
   54    56    67    71  -0.05800 -1.0 2.0
   54    56    67    71  -0.55150  1.0 3.0
   56    54    63    64   0.00000  1.0 1.0
   56    54    63    65   0.00000  1.0 1.0
   56    54    63    66   0.00000  1.0 1.0
   56    67    69    70   0.00000  1.0 1.0
   56    67    69    72  -0.28300  1.0 1.0
   56    67    69    72   0.26700 -1.0 2.0
   56    67    69    72  -0.63300  1.0 3.0
   56    67    88    76  -0.77900  1.0 1.0
   56    67    88    76  -0.36900 -1.0 2.0
   56    67    88    76   0.40400  1.0 3.0
   56    67    71    73  -0.77900  1.0 1.0
   56    67    71    73  -0.36900 -1.0 2.0
   56    67    71    73   0.40400  1.0 3.0
   57    56    67    69   0.00000  1.0 1.0
   57    56    67    88   0.00000  1.0 1.0
   57    56    67    71   0.00000  1.0 1.0
   67    69   -72    76   7.00000 -1.0 2.0
   67    69    72    78   7.00000 -1.0 2.0
   67    71    73    74   0.37050  1.0 3.0
   67    71    73    75   0.37050  1.0 3.0
   67    71    73    82   0.06250  1.0 1.0
   67    71    73    82  -0.01100 -1.0 2.0
   67    71    73    82   0.28050  1.0 3.0
   69    67   -88    76  -0.77900  1.0 1.0
   69    67   -88    76  -0.36900 -1.0 2.0
   69    67   -88    76   0.40400  1.0 3.0
   69    67    71    73  -0.77900  1.0 1.0
   69    67    71    73  -0.36900 -1.0 2.0
   69    67    71    73   0.40400  1.0 3.0
   69    72    76    77   0.00000  1.0 1.0
   69    72    76    86   0.09850  1.0 1.0
   69    72    76    86   0.15250 -1.0 2.0
   69    72    76    86  -0.50650  1.0 3.0
   69    72   -76    88   0.39000  1.0 1.0
   69    72   -76    88  -0.05800 -1.0 2.0
   69    72   -76    88  -0.55150  1.0 3.0
   69    72    78    79   0.00000  1.0 1.0
   69    72    78    80   0.00000  1.0 1.0
   69    72    78    81   0.00000  1.0 1.0
   70    69    72    76   7.00000 -1.0 2.0
   70    69    72    78   7.00000 -1.0 2.0
   72    76    86    87   0.15000  1.0 3.0
   72    76    86    52   0.34400  1.0 1.0
   72    76    86    52   0.09450 -1.0 2.0
   72    76    86    52   0.11100  1.0 3.0
   72    76    86    68   0.61850  1.0 1.0
   72    76    86    68  -0.22750 -1.0 2.0
   72    76    86    68   0.15300  1.0 3.0
   72    76   -88    67  -0.77900  1.0 1.0
   72    76   -88    67  -0.36900 -1.0 2.0
   72    76   -88    67   0.40400  1.0 3.0
   76    72    78    79   0.34800  1.0 3.0
   76    72    78    80   0.34800  1.0 3.0
   76    72    78    81   0.34800  1.0 3.0
   76    86    52    47   0.56750  1.0 1.0
   76    86    52    47  -0.07550 -1.0 2.0
   76    86    52    47   0.20000  1.0 3.0
   76    86    52    53   0.15000  1.0 3.0
   76    86    52    55   0.34400  1.0 1.0
   76    86    52    55   0.09450 -1.0 2.0
   76    86    52    55   0.11100  1.0 3.0
   76    86    68    58  -0.25900  1.0 1.0
   76    86    68    58  -0.47000 -1.0 2.0
   76    86    68    58   0.11750  1.0 3.0
   77    76    86    87   0.15000  1.0 3.0
   77    76    86    52   0.15000  1.0 3.0
   77    76    86    68   0.23400  1.0 3.0
   77    76    88    67   0.37050  1.0 3.0
   86    76    88    67   0.06250  1.0 1.0
   86    76    88    67  -0.01100 -1.0 2.0
   86    76    88    67   0.28050  1.0 3.0
   86    52   -55    58   0.09700  1.0 1.0
   86    52   -55    58   0.15600 -1.0 2.0
   86    52   -55    58  -0.50800  1.0 3.0
   86    52    55    60   0.09850  1.0 1.0
   86    52    55    60   0.15250 -1.0 2.0
   86    52    55    60  -0.50650  1.0 3.0
   87    86    52    47   0.15000  1.0 3.0
   87    86    52    53   0.15000  1.0 3.0
   87    86    52    55   0.15000  1.0 3.0
   87    86    68    58   0.08050  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    54   0.34400  1.0 1.0
   52    47    49    54   0.09450 -1.0 2.0
   52    47    49    54   0.11100  1.0 3.0
   52    86   -68    58  -0.25900  1.0 1.0
   52    86   -68    58  -0.47000 -1.0 2.0
   52    86   -68    58   0.11750  1.0 3.0
   52    55    58    59  -0.64400  1.0 1.0
   52    55    58    59   0.26850 -1.0 2.0
   52    55   -58    68  -0.15000  1.0 1.0
   52    55   -58    68   0.89550 -1.0 2.0
   52    55   -58    68  -0.06900  1.0 3.0
   52    55    60    61   7.00000 -1.0 2.0
   52    55    60    62   7.00000 -1.0 2.0
   53    52    55    58   0.15000  1.0 3.0
   53    52    55    60   0.00000  1.0 1.0
   55    58   -68    86   2.00000 -1.0 2.0
   58    55    60    61   7.00000 -1.0 2.0
   58    55    60    62   7.00000 -1.0 2.0
   59    58    68    86   3.00000 -1.0 2.0
   68    86    52    47   0.62750  1.0 1.0
   68    86    52    47  -0.30950 -1.0 2.0
   68    86    52    47   0.27300  1.0 3.0
   68    86    52    53   0.23400  1.0 3.0
   68    86   -52    55   0.61850  1.0 1.0
   68    86   -52    55  -0.22750 -1.0 2.0
   68    86   -52    55   0.15300  1.0 3.0
   60    55    58    59   1.00000 -1.0 2.0
   60    55    58    68  -0.56150  1.0 1.0
   60    55    58    68   2.19150 -1.0 2.0
   88    67    69    70   0.00000  1.0 1.0
   88    67   -69    72   0.39000  1.0 1.0
   88    67   -69    72  -0.05800 -1.0 2.0
   88    67   -69    72  -0.55150  1.0 3.0
   88    67    71    73  -0.53350  1.0 1.0
   88    67    71    73  -0.78350 -1.0 2.0
   88    67    71    73   0.33750  1.0 3.0
   88    76    86    87   0.23400  1.0 3.0
   88    76    86    52   0.62750  1.0 1.0
   88    76    86    52  -0.30950 -1.0 2.0
   88    76    86    52   0.27300  1.0 3.0
   88    76    86    68   1.11900  1.0 1.0
   88    76    86    68  -1.16350 -1.0 2.0
   88    76    86    68  -0.34150  1.0 3.0
   78    72    76    77   0.34800  1.0 3.0
   78    72    76    86   0.46850  1.0 1.0
   78    72    76    86   0.08550 -1.0 2.0
   78    72    76    86   0.09800  1.0 3.0
   78    72    76    88   0.09700  1.0 1.0
   78    72    76    88   0.15600 -1.0 2.0
   78    72    76    88  -0.50800  1.0 3.0
   71    67    69    70   0.00000  1.0 1.0
   71    67    69    72   0.39000  1.0 1.0
   71    67    69    72  -0.05800 -1.0 2.0
   71    67    69    72  -0.55150  1.0 3.0
   71    67    88    76  -0.53350  1.0 1.0
   71    67    88    76  -0.78350 -1.0 2.0
   71    67    88    76   0.33750  1.0 3.0
   71    73    82    83   0.23400  1.0 3.0
   71    73    82    84   0.23400  1.0 3.0
   71    73    82    85   0.23400  1.0 3.0
   74    73    82    83   0.15000  1.0 3.0
   74    73    82    84   0.15000  1.0 3.0
   74    73    82    85   0.15000  1.0 3.0
   75    73    82    83   0.15000  1.0 3.0
   75    73    82    84   0.15000  1.0 3.0
   75    73    82    85   0.15000  1.0 3.0
   63    54    56    57   7.00000 -1.0 2.0
   63    54    56    67   7.00000 -1.0 2.0
   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
   49    63    54    56   1.10000 -1.0 2.0
   67    57    56    54   1.10000 -1.0 2.0
   67    70    69    72   1.10000 -1.0 2.0
   76    78    72    69   1.10000 -1.0 2.0
   52    58    55    60   1.10000 -1.0 2.0
   55    68    58    59  10.50000 -1.0 2.0
   61    62    60    55   1.10000 -1.0 2.0
END
