* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    160    252     476
    1     0 S   NP   _N1_     1    29.25365    93.31443   -20.13318
    2     1 S   H    _HN1     2     1.02779    81.99853   -81.11101
    3     1 S   H    _H1_     3     1.02943   104.11781    25.71084
    4     1 S   H    _H2_     4     1.02809    29.14282   125.57853
    5     1 S   CT   _CA1     5     1.50159   135.21972   165.31831
    6     5 S   HC   _HA1     6     1.09580   105.20886    39.95147
    7     5 S   CO3  _C1_     7     1.53802   112.41344   -80.09118
    8     7 S   O2Z  _O11     8     1.26341   115.11162   -43.37701
    9     7 S   O2Z  _O12     9     1.26270   114.88635   135.66133
   10     5 S   CT   _CB1    10     1.53014   107.26413   157.63879
   11    10 S   HC   HB11    11     1.09807   109.14307   -51.55649
   12    10 S   HC   HB12    12     1.09798   110.33159    64.77816
   13    10 S   CT   _CG1    13     1.53058   112.97077  -173.06053
   14    13 S   HC   HG11    14     1.09561   110.06999   -62.48706
   15    13 S   HC   HG12    15     1.09595   110.49374    56.69552
   16    13 S   C    _CD1    16     1.51780   111.46521   176.29916
   17    16 S   O    _OE1    17     1.22775   122.80647   -28.11186
   18    16 S   N    _N2_    18     1.38546   112.34762   153.36527
   19    18 S   H    _HN2    19     1.01543   119.31963     4.12460
   20    18 S   CT1  _CA2    20     1.46069   123.06098  -175.40944
   21    20 S   HC   _HA2    21     1.09601   109.30150     1.40040
   22    20 S   C    _C2_    22     1.53421   109.18365  -114.24439
   23    22 S   O    _O2_    23     1.23066   122.04709  -145.56823
   24    20 S   CT   _CB2    32     1.53480   111.50764   123.11753
   25    24 S   HC   HB21    33     1.09664   109.54656    66.95389
   26    24 S   HC   HB22    34     1.09578   110.77752  -175.85953
   27    22 S   N    _N3_    24     1.38455   113.69278    41.79689
   28    27 S   H    _HN3    25     1.01501   119.01924    -0.09891
   29    24 S   S    _SG2    35     1.82846   114.85870   -52.48390
   30    27 S   CT   _CA3    26     1.45428   123.27298   175.62418
   31    30 S   HC   HA31    27     1.09535   109.13127    27.67698
   32    30 S   HC   HA32    28     1.09499   107.18351   144.58023
   33    29 S   CT   _C21    36     1.82485   100.11542   -67.19516
   34    33 S   HC   _H22    37     1.09282   109.14488    58.31743
   35    33 S   HC   _H23    38     1.09550   109.40692   -58.30592
   36    30 S   CO3  _C3_    29     1.52886   113.02023   -95.74103
   37    36 S   O2Z  _O31    30     1.26401   115.30069   -50.11970
   38    36 S   O2Z  _O32    31     1.26341   115.07257   130.80238
   39    33 S   CM   _C19    39     1.52268   109.76787  -178.91178
   40    39 S   CMA  _C18    40     1.36618   122.91174  -103.35900
   41    40 S   OM   _O38    41     1.26846   125.13275    -0.91578
   42    39 S   CT   _C20    81     1.51598   113.43678    78.12992
   43    42 S   HC   _H19    82     1.09442   110.54709   -68.76684
   44    42 S   HC   _H20    83     1.09547   110.01450    50.92356
   45    42 S   HC   _H21    84     1.09279   113.86381   170.31605
   46    40 S   OS   _O37    42     1.41722   111.44495   179.26352
   47    46 S   CT   _C11    43     1.45778   118.12096  -146.52931
   48    47 S   HC   _H5_    44     1.09380   107.45937   -41.60327
   49    47 S   CT   _C12    45     1.55755   107.42470    76.73975
   50    49 S   HC   _H6_    46     1.09848   106.10071   -28.32881
   51    47 S   CT   _C10    66     1.54908   106.16286  -155.23023
   52    49 S   CT   _C13    47     1.54026   117.30176  -146.58024
   53    52 S   HC   _H7_    48     1.09944   108.08823   147.58694
   54    51 S   CT   _C22    67     1.54350   114.33875   178.37755
   55    54 S   HC   _H24    68     1.08511   113.81793    74.33376
   56    54 S   HC   _H25    69     1.09471   110.84435   -47.97974
   57    54 S   HC   _H26    70     1.09748   112.15711  -166.08987
   58    52 S   CO4  _C14    49     1.50510   103.14489  -100.89614
   59    58 S   O    _O34    50     1.22090   126.33553   162.08097
   60    52 S   CT   _C17    77     1.51668   118.33029    24.86705
   61    60 S   HC   _H16    78     1.09267   112.54796   -67.13963
   62    60 S   HC   _H17    79     1.09600   110.16991   174.32366
   63    60 S   HC   _H18    80     1.09382   111.04524    55.27834
   64    58 S   OS   _O35    51     1.36782   109.38154   -18.93855
   65    49 S   CT   _C15    52     1.52939   120.38235    91.41455
   66    65 S   HC   _H8_    53     1.10152   106.60580  -153.48102
   67    65 S   CT   _C16    54     1.53391   121.99818   -31.89162
   68    67 S   HC   _H9_    55     1.09697   109.06179   -53.01398
   69    67 S   CT   _C5_    56     1.55571   118.04038    72.54819
   70    69 S   HC   _H3_    57     1.09522   109.69739    50.55802
   71    67 S   OH   _O36    75     1.43990   106.07889  -166.79189
   72    71 S   HO   _H15    76     0.97248   107.77517    63.50053
   73    69 S   CT   _C6_    58     1.54114   109.60397   -72.00367
   74    73 S   HC   _H4_    59     1.09999   105.36399   -51.26153
   75    69 S   CT   _C4_    71     1.54383   109.84914   166.17229
   76    75 S   HC   _H10    72     1.09528   111.19735    62.89367
   77    75 S   HC   _H11    73     1.09479   111.70715   -57.96480
   78    75 S   HC   _H12    74     1.09415   111.34334  -176.02665
   79    73 S   CM   _C7_    60     1.50975   119.80454  -165.90330
   80    79 S   HC   _H13    61     1.08124   123.91185    36.16704
   81    79 S   CM   _C8_    62     1.33565   113.69769  -152.82006
   82    81 S   HC   _H14    63     1.07500   129.01189  -173.99900
   83    81 S   CO4  _C9_    64     1.47410   105.24370     6.96114
   84    83 S   O    _O33    65     1.22167   122.55977  -171.60286
  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
