* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    165    240     479
    1     0 S   NP   _N1_     1    29.06903    93.22853   -19.09490
    2     1 S   H    _HN1     2     1.02784    77.21325   -72.10044
    3     1 S   H    _H1_     3     1.02958   109.10232    33.05294
    4     1 S   H    _H2_     4     1.02841    32.01347   125.05901
    5     1 S   CT   _CA1     5     1.50168   133.16489   179.39316
    6     5 S   HC   _HA1     6     1.09570   105.25112    32.25309
    7     5 S   CO3  _C1_     7     1.53897   111.92526   -87.95157
    8     7 S   O2Z  _O11     8     1.26409   115.01503   -51.01247
    9     7 S   O2Z  _O12     9     1.26222   114.92430   127.62473
   10     5 S   CT   _CB1    10     1.53055   107.33774   150.09897
   11    10 S   HC   HB11    11     1.09822   109.56567   -48.48827
   12    10 S   HC   HB12    12     1.09831   110.38570    68.08041
   13    10 S   CT   _CG1    13     1.53048   112.64329  -169.53774
   14    13 S   HC   HG11    14     1.09421   110.41410   -55.74927
   15    13 S   HC   HG12    15     1.09606   110.26752    63.15121
   16    13 S   C    _CD1    16     1.51819   111.45789  -177.19014
   17    16 S   O    _OE1    17     1.22814   122.70924   -24.37186
   18    16 S   N    _N2_    18     1.38547   112.29192   156.88739
   19    18 S   H    _HN2    19     1.01571   119.22388     0.74756
   20    18 S   CT1  _CA2    20     1.46342   123.20913  -177.32980
   21    20 S   HC   _HA2    21     1.09732   109.33162   -11.42929
   22    20 S   C    _C2_    22     1.53396   108.56014  -127.19164
   23    22 S   O    _O2_    23     1.23021   122.26456  -147.01112
   24    20 S   CT   _CB2    32     1.53582   111.37581   110.40305
   25    24 S   HC   HB21    33     1.09277   109.26558    59.87882
   26    24 S   HC   HB22    34     1.09546   110.24934   177.64133
   27    22 S   N    _N3_    24     1.38524   113.40830    40.45490
   28    27 S   H    _HN3    25     1.01525   118.86297    -0.65671
   29    24 S   S    _SG2    35     1.83398   111.08026   -63.48329
   30    27 S   CT   _CA3    26     1.45437   123.44200   175.22517
   31    30 S   HC   HA31    27     1.09525   109.21861    24.79852
   32    30 S   HC   HA32    28     1.09496   107.12534   141.77534
   33    29 S   CT   _C14    36     1.88743   102.83313   148.97160
   34    33 S   OM   _O35    37     1.31843   109.05688    53.91496
   35    30 S   CO3  _C3_    29     1.52916   113.13405   -98.68292
   36    35 S   O2Z  _O31    30     1.26402   115.40897   -45.09533
   37    35 S   O2Z  _O32    31     1.26359   114.99249   135.88304
   38    33 S   CM   _C13    38     1.54194   104.12675   173.59482
   39    38 S   CM   _C12    39     1.35612   120.74439    92.06842
   40    38 S   CT   _C15    78     1.53109   119.27402   -82.91900
   41    40 S   HC   _H13    79     1.09324   110.10138    31.44152
   42    40 S   HC   _H14    80     1.09793   110.02567   145.20851
   43    39 S   CT   _C11    40     1.51930   125.85304     2.30800
   44    39 S   OH   _O36    76     1.39050   119.64483  -175.25030
   45    44 S   HO   _H22    77     0.97329   107.24349   160.41390
   46    40 S   CM   _C16    81     1.50700   112.14665   -95.38430
   47    46 S   HC   _H15    82     1.09000   113.92868   -57.45877
   48    43 S   CO4  _C10    41     1.53251   111.40154    -1.63363
   49    48 S   O    _O34    42     1.23351   121.62921  -153.22021
   50    43 S   CT   _C20    60     1.55283   110.98685   123.84150
   51    50 S   HC   _H23    61     1.09154   109.74527   -47.87866
   52    50 S   HC   _H24    62     1.09858   108.95264    67.75182
   53    43 S   OH   _O37    74     1.43103   106.08497  -118.01831
   54    53 S   HO   _H32    75     0.97578   108.44252   172.98404
   55    46 S   CM   _C17    83     1.34707   128.40500   123.09058
   56    33 S   CT   _C9_    43     1.55394   110.71250   -66.57482
   57    56 S   HC   _H3_    44     1.09748   109.46580    50.61886
   58    50 S   CM   _C21    63     1.50912   114.97294  -173.94336
   59    58 S   HC   _H25    64     1.08914   114.20301   -53.90106
   60    55 S   CT   _C18    84     1.50593   120.28915  -179.75611
   61    60 S   HC   _H16    85     1.09501   110.22352   120.10926
   62    60 S   HC   _H17    86     1.09512   112.46147     0.03956
   63    60 S   HC   _H18    87     1.09496   110.25173  -120.08007
   64    55 S   CT   _C19    88     1.50241   125.49632    -0.06256
   65    64 S   HC   _H19    89     1.09527   109.99036   122.05752
   66    64 S   HC   _H20    90     1.09516   110.02554  -118.78279
   67    64 S   HC   _H21    91     1.09131   113.83480     1.83568
   68    56 S   CO4  _C8_    45     1.54070   115.23385   168.70635
   69    68 S   O    _O33    46     1.23060   122.44627    44.29600
   70    58 S   CM   _C22    65     1.34672   128.59581   127.19188
   71    68 S   CT   _C7_    47     1.52490   115.73583  -139.13107
   72    71 S   HC   _H11    48     1.09625   106.55455   -70.39621
   73    71 S   HC   _H12    49     1.09617   108.59831    45.71421
   74    70 S   CT   _C23    66     1.50683   120.08715  -179.64064
   75    74 S   HC   _H26    67     1.09505   110.18284   120.48353
   76    74 S   HC   _H27    68     1.09494   110.25657  -119.71628
   77    74 S   HC   _H28    69     1.09519   112.50170     0.46897
   78    70 S   CT   _C24    70     1.50160   125.83086     0.82044
   79    78 S   HC   _H29    71     1.09525   109.93800   119.23434
   80    78 S   HC   _H30    72     1.09452   110.03082  -121.81130
   81    78 S   HC   _H31    73     1.09084   113.88484    -1.07338
   82    71 S   CT   _C5_    50     1.53606   113.72629   167.95970
   83    82 S   HC   _H7_    51     1.09685   109.62891    48.24289
   84    82 S   CT   _C4_    52     1.53094   111.34585   -71.40620
   85    84 S   HC   _H4_    53     1.09543   111.27062   -60.10248
   86    84 S   HC   _H5_    54     1.09437   111.41942    60.41102
   87    84 S   HC   _H6_    55     1.09531   110.64841   179.97202
   88    82 S   CT   _C6_    56     1.52977   110.00644   166.69862
   89    88 S   HC   _H8_    57     1.09539   111.30412    60.65270
   90    88 S   HC   _H9_    58     1.09512   110.82453   -59.59505
   91    88 S   HC   _H10    59     1.09516   110.81138  -179.08893
  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   9   5   4   3
  16   7   2   1   1  16  16  10   4   3  15   4   1  10   3  12
   5  10   5   4   3   1   8   7   3  10   3   7   3   2   1   3
   2   1   1   8   4   8  12   5   4   7   3   2   1   3   2   1
   1   9   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    56    57    68    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    48    49    56    57    68    69    71    44    40    41    42    46  
   38    39    48    56    57    68    40  
   36    37  
   37  
    0  
   39    43    48    56    57    68    50    53    44    45    40    41    42    46    47    55  
   43    48    49    56    50    51    52    58    53    54    44    45    40    41    42    46  
   41    42    46    47    55    60    64    43    44    56  
   42    46    47    55  
   46    47    55  
   48    49    56    57    68    50    51    52    58    59    70    53    54    44    45  
   45    48    50    53  
    0  
   47    55    60    61    62    63    64    65    66    67  
   55    60    64  
   49    56    57    68    69    71    50    51    52    58    53    54  
   56    57    68    50    53  
   51    52    58    59    70    74    78    53    54    56  
   52    58    59    70    53  
   58    59    70    53  
   54    56    58  
    0  
   60    61    62    63    64    65    66    67  
   57    68    69    71    72    73    82  
   68    69    71  
   59    70    74    75    76    77    78    79    80    81  
   70    74    78  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    71    72    73    82    83    84    88  
   71    72    73    82  
   74    75    76    77    78    79    80    81  
   72    73    82    83    84    85    86    87    88    89    90    91  
   73    82    83    84    88  
   82    83    84    88  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89    90    91  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    56   268.000  1.529
   38    39   549.000  1.340
   38    40   317.000  1.510
   39    43   317.000  1.510
   39    44   510.000  1.338
   43    48   317.000  1.522
   43    50   268.000  1.529
   43    53   320.000  1.410
   48    49   570.000  1.229
   48    56   317.000  1.522
   56    57   340.000  1.090
   56    68   317.000  1.522
   68    69   570.000  1.229
   68    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    82   268.000  1.529
   82    83   340.000  1.090
   82    84   268.000  1.529
   82    88   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   317.000  1.510
   58    59   340.000  1.080
   58    70   549.000  1.340
   70    74   317.000  1.510
   70    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   53    54   553.000  0.945
   44    45   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   317.000  1.510
   46    47   340.000  1.080
   46    55   549.000  1.340
   55    60   317.000  1.510
   55    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    56    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    56    48    63.00000  111.10000
   33    56    57    37.50000  110.70000
   33    56    68    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    39    43    70.00000  124.00000
   38    39    44    80.00000  121.38400
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    46    70.00000  110.12100
   39    43    48    70.00000  109.06800
   39    43    50    70.00000  112.02700
   39    43    53    90.00000  110.39200
   39    44    45    70.00000  107.45700
   43    48    49    80.00000  120.40000
   43    48    56    70.00000  116.00000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    58    70.00000  112.02700
   43    53    54    55.00000  108.50000
   48    56    57    35.00000  109.50000
   48    56    68    75.00000  107.99600
   56    33    34    50.00000  109.50000
   56    33    38    70.00000  112.02700
   56    48    49    80.00000  120.40000
   56    68    69    80.00000  120.40000
   56    68    71    70.00000  116.00000
   68    56    57    35.00000  109.50000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    82    63.00000  111.10000
   71    68    69    80.00000  120.40000
   71    82    83    37.50000  110.70000
   71    82    84    58.35000  112.70000
   71    82    88    58.35000  112.70000
   73    71    72    33.00000  107.80000
   82    71    72    37.50000  110.70000
   82    71    73    37.50000  110.70000
   82    84    85    37.50000  110.70000
   82    84    86    37.50000  110.70000
   82    84    87    37.50000  110.70000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    91    37.50000  110.70000
   84    82    83    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    82    83    37.50000  110.70000
   88    82    84    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   50    43    48    63.00000  111.10000
   50    58    59    35.00000  117.00000
   50    58    70    70.00000  124.00000
   52    50    51    33.00000  107.80000
   58    50    51    35.00000  109.50000
   58    50    52    35.00000  109.50000
   58    70    74    70.00000  124.00000
   58    70    78    70.00000  124.00000
   70    58    59    35.00000  120.00000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   70    78    79    35.00000  109.50000
   70    78    80    35.00000  109.50000
   70    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    70    74    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
   53    43    48    90.00000  109.61100
   53    43    50    50.00000  109.50000
   44    39    43    90.00000  109.34000
   40    38    39    70.00000  124.00000
   40    46    47    35.00000  117.00000
   40    46    55    70.00000  124.00000
   42    40    41    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    42    35.00000  109.50000
   46    55    60    70.00000  124.00000
   46    55    64    70.00000  124.00000
   55    46    47    35.00000  120.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    67    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    55    60    65.00000  117.92700
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    56    48   0.56750  1.0 1.0
   29    33    56    48  -0.07550 -1.0 2.0
   29    33    56    48   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    68   0.56750  1.0 1.0
   29    33    56    68  -0.07550 -1.0 2.0
   29    33    56    68   0.20000  1.0 3.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    42   0.34800  1.0 3.0
   33    38    40    46   0.09700  1.0 1.0
   33    38    40    46   0.15600 -1.0 2.0
   33    38    40    46  -0.50800  1.0 3.0
   33    56    68    69   0.30150 -1.0 2.0
   33    56    68    71   0.60050  1.0 1.0
   33    56    68    71   0.05600 -1.0 2.0
   33    56    68    71   0.26150  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    56    48  -0.09450  1.0 1.0
   34    33    56    48  -1.12950 -1.0 2.0
   34    33    56    48   0.54000  1.0 3.0
   34    33    56    57   0.23400  1.0 3.0
   34    33    56    68  -0.09450  1.0 1.0
   34    33    56    68  -1.12950 -1.0 2.0
   34    33    56    68   0.54000  1.0 3.0
   38    33    56    48  -0.98800  1.0 1.0
   38    33    56    48   0.48800 -1.0 2.0
   38    33    56    48   0.76800  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    68  -0.98800  1.0 1.0
   38    33    56    68   0.48800 -1.0 2.0
   38    33    56    68   0.76800  1.0 3.0
   38    39   -43    48  -0.51250  1.0 1.0
   38    39   -43    48  -0.88800 -1.0 2.0
   38    39   -43    48   0.08850  1.0 3.0
   38    39    43    50   0.09850  1.0 1.0
   38    39    43    50   0.15250 -1.0 2.0
   38    39    43    50  -0.50650  1.0 3.0
   38    39    43    53   0.67800  1.0 1.0
   38    39    43    53   0.47050 -1.0 2.0
   38    39    43    53  -0.62500  1.0 3.0
   38    39    44    45  -0.66100  1.0 1.0
   38    39    44    45   1.20850 -1.0 2.0
   38    39    44    45  -0.36000  1.0 3.0
   38    40    46    47   0.00000  1.0 1.0
   38    40    46    55  -0.28300  1.0 1.0
   38    40    46    55   0.26700 -1.0 2.0
   38    40    46    55  -0.63300  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    46  -0.28300  1.0 1.0
   39    38    40    46   0.26700 -1.0 2.0
   39    38    40    46  -0.63300  1.0 3.0
   39    43    48    49   0.30150 -1.0 2.0
   39    43    48    56   0.65300  1.0 1.0
   39    43    48    56  -0.03850 -1.0 2.0
   39    43    48    56   0.33900  1.0 3.0
   39    43    50    51   0.15000  1.0 3.0
   39    43    50    52   0.15000  1.0 3.0
   39    43    50    58   0.31000  1.0 1.0
   39    43    50    58   0.14700 -1.0 2.0
   39    43    50    58   0.07550  1.0 3.0
   39    43    53    54  -0.07800  1.0 1.0
   39    43    53    54  -0.21500 -1.0 2.0
   39    43    53    54  -0.03150  1.0 3.0
   43    39    44    45   2.00000 -1.0 2.0
   43    48   -56    33   0.60050  1.0 1.0
   43    48   -56    33   0.05600 -1.0 2.0
   43    48   -56    33   0.26150  1.0 3.0
   43    48    56    57   0.00000  1.0 1.0
   43    48    56    68   0.65300  1.0 1.0
   43    48    56    68  -0.03850 -1.0 2.0
   43    48    56    68   0.33900  1.0 3.0
   43    50    58    59   0.00000  1.0 1.0
   43    50    58    70   0.09850  1.0 1.0
   43    50    58    70   0.15250 -1.0 2.0
   43    50    58    70  -0.50650  1.0 3.0
   48    43    50    51  -0.11250  1.0 3.0
   48    43    50    52  -0.11250  1.0 3.0
   48    43    50    58  -0.98800  1.0 1.0
   48    43    50    58   0.48800 -1.0 2.0
   48    43    50    58   0.76800  1.0 3.0
   48    43    53    54   0.91850  1.0 1.0
   48    43    53    54   0.57950  1.0 3.0
   48    56    68    69   0.30150 -1.0 2.0
   48    56    68    71   0.65300  1.0 1.0
   48    56    68    71  -0.03850 -1.0 2.0
   48    56    68    71   0.33900  1.0 3.0
   49    48    56    33   0.30150 -1.0 2.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    68   0.30150 -1.0 2.0
   56    33   -38    39   0.09850  1.0 1.0
   56    33   -38    39   0.15250 -1.0 2.0
   56    33   -38    39  -0.50650  1.0 3.0
   56    33    38    40   0.46850  1.0 1.0
   56    33    38    40   0.08550 -1.0 2.0
   56    33    38    40   0.09800  1.0 3.0
   56    68    71    72   0.00000  1.0 1.0
   56    68    71    73   0.00000  1.0 1.0
   56    68    71    82   0.60050  1.0 1.0
   56    68    71    82   0.05600 -1.0 2.0
   56    68    71    82   0.26150  1.0 3.0
   57    56    68    69   0.00000  1.0 1.0
   57    56    68    71   0.00000  1.0 1.0
   68    71    82    83  -0.11250  1.0 3.0
   68    71    82    84  -0.95700  1.0 1.0
   68    71    82    84  -0.18200 -1.0 2.0
   68    71    82    84   0.29450  1.0 3.0
   68    71    82    88  -0.95700  1.0 1.0
   68    71    82    88  -0.18200 -1.0 2.0
   68    71    82    88   0.29450  1.0 3.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    82   0.30150 -1.0 2.0
   71    82    84    85   0.15000  1.0 3.0
   71    82    84    86   0.15000  1.0 3.0
   71    82    84    87   0.15000  1.0 3.0
   71    82    88    89   0.15000  1.0 3.0
   71    82    88    90   0.15000  1.0 3.0
   71    82    88    91   0.15000  1.0 3.0
   72    71    82    83   0.15000  1.0 3.0
   72    71    82    84   0.15000  1.0 3.0
   72    71    82    88   0.15000  1.0 3.0
   73    71    82    83   0.15000  1.0 3.0
   73    71    82    84   0.15000  1.0 3.0
   73    71    82    88   0.15000  1.0 3.0
   83    82    84    85   0.15000  1.0 3.0
   83    82    84    86   0.15000  1.0 3.0
   83    82    84    87   0.15000  1.0 3.0
   83    82    88    89   0.15000  1.0 3.0
   83    82    88    90   0.15000  1.0 3.0
   83    82    88    91   0.15000  1.0 3.0
   84    82    88    89   0.15000  1.0 3.0
   84    82    88    90   0.15000  1.0 3.0
   84    82    88    91   0.15000  1.0 3.0
   88    82    84    85   0.15000  1.0 3.0
   88    82    84    86   0.15000  1.0 3.0
   88    82    84    87   0.15000  1.0 3.0
   50    43    48    49   0.30150 -1.0 2.0
   50    43    48    56   0.60050  1.0 1.0
   50    43    48    56   0.05600 -1.0 2.0
   50    43    48    56   0.26150  1.0 3.0
   50    43    53    54  -0.11600  1.0 1.0
   50    43    53    54  -0.09450 -1.0 2.0
   50    43    53    54   0.21250  1.0 3.0
   50    58    70    74   7.00000 -1.0 2.0
   50    58    70    78   7.00000 -1.0 2.0
   51    50    58    59   0.33100  1.0 3.0
   51    50    58    70   0.00000  1.0 1.0
   52    50    58    59   0.33100  1.0 3.0
   52    50    58    70   0.00000  1.0 1.0
   58    70    74    75   0.00000  1.0 1.0
   58    70    74    76   0.00000  1.0 1.0
   58    70    74    77   0.00000  1.0 1.0
   58    70    78    79   0.00000  1.0 1.0
   58    70    78    80   0.00000  1.0 1.0
   58    70    78    81   0.00000  1.0 1.0
   59    58    70    74   7.00000 -1.0 2.0
   59    58    70    78   7.00000 -1.0 2.0
   74    70    78    79   0.34800  1.0 3.0
   74    70    78    80   0.34800  1.0 3.0
   74    70    78    81   0.34800  1.0 3.0
   78    70    74    75   0.34800  1.0 3.0
   78    70    74    76   0.34800  1.0 3.0
   78    70    74    77   0.34800  1.0 3.0
   53    43    48    49   0.30150 -1.0 2.0
   53    43    48    56   0.55300  1.0 1.0
   53    43    48    56   1.25850 -1.0 2.0
   53    43    48    56  -0.23600  1.0 3.0
   53    43    50    51   0.23400  1.0 3.0
   53    43    50    52   0.23400  1.0 3.0
   53    43    50    58   1.05650  1.0 1.0
   53    43    50    58   0.15600 -1.0 2.0
   53    43    50    58   0.53150  1.0 3.0
   44    39    43    48   0.09700  1.0 1.0
   44    39    43    48   0.15600 -1.0 2.0
   44    39    43    48  -0.50800  1.0 3.0
   44    39    43    50   0.09700  1.0 1.0
   44    39    43    50   0.15600 -1.0 2.0
   44    39    43    50  -0.50800  1.0 3.0
   44    39    43    53   0.09700  1.0 1.0
   44    39    43    53   0.15600 -1.0 2.0
   44    39    43    53  -0.50800  1.0 3.0
   40    38    39    43   7.00000 -1.0 2.0
   40    38    39    44   7.00000 -1.0 2.0
   40    46    55    60   7.00000 -1.0 2.0
   40    46    55    64   7.00000 -1.0 2.0
   41    40    46    47   0.33100  1.0 3.0
   41    40    46    55   0.00000  1.0 1.0
   42    40    46    47   0.33100  1.0 3.0
   42    40    46    55   0.00000  1.0 1.0
   46    55    60    61   0.00000  1.0 1.0
   46    55    60    62   0.00000  1.0 1.0
   46    55    60    63   0.00000  1.0 1.0
   46    55    64    65   0.00000  1.0 1.0
   46    55    64    66   0.00000  1.0 1.0
   46    55    64    67   0.00000  1.0 1.0
   47    46    55    60   7.00000 -1.0 2.0
   47    46    55    64   7.00000 -1.0 2.0
   60    55    64    65   0.34800  1.0 3.0
   60    55    64    66   0.34800  1.0 3.0
   60    55    64    67   0.34800  1.0 3.0
   64    55    60    61   0.34800  1.0 3.0
   64    55    60    62   0.34800  1.0 3.0
   64    55    60    63   0.34800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   43    44    39    38   1.10000 -1.0 2.0
   43    56    48    49  10.50000 -1.0 2.0
   56    71    68    69  10.50000 -1.0 2.0
   50    59    58    70  15.00000 -1.0 2.0
   74    78    70    58  15.00000 -1.0 2.0
   40    47    46    55  15.00000 -1.0 2.0
   60    64    55    46  15.00000 -1.0 2.0
END
