* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    162    252     473
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02119   105.05322   -31.66556
    3     1 S   H    _H1_     3     1.02068    66.69931    72.60103
    4     1 S   H    _H2_     4     1.02125    46.01547  -133.26709
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C6_    36     1.82086    98.19548  -158.17794
   34    33 S   HC   _H12    37     1.09636   107.44327    59.99456
   35    33 S   HC   _H13    38     1.09461   107.28750   -54.87248
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C5_    39     1.53560   114.79160  -177.88900
   40    39 S   HC   _H3_    40     1.09911   107.87683   175.44276
   41    39 S   CO4  _C7_    41     1.52211   111.88564    59.03516
   42    41 S   O    _O33    42     1.22429   124.79358  -122.52462
   43    39 S   CT   _C4_    81     1.53015   113.13895   -67.34405
   44    43 S   HC   _H9_    82     1.09514   110.40819    61.85646
   45    43 S   HC   _H10    83     1.09520   110.80867  -178.78147
   46    43 S   HC   _H11    84     1.09452   112.30805   -57.46073
   47    41 S   OS   _O34    43     1.36249   109.25729    57.75059
   48    47 S   CT   _C8_    44     1.43865   115.26942   179.70064
   49    48 S   HC   _H4_    45     1.10062   106.32805   -29.98031
   50    48 S   CT   _C9_    46     1.54644   103.16829    87.18722
   51    50 S   HC   _H14    47     1.09952   108.12255   -38.43713
   52    50 S   HC   _H15    48     1.09877   108.07899    73.47890
   53    48 S   CT   _C17    63     1.55423   108.52381  -148.15258
   54    53 S   HC   _H7_    64     1.09927   108.40091   -73.06817
   55    50 S   C3T  _C10    49     1.51292   119.52969  -159.54667
   56    53 S   CM   _C18    65     1.50942   118.86490    47.68725
   57    55 S   C3T  _C11    50     1.53887   116.49791  -122.12767
   58    57 S   HC   _H5_    51     1.08239   119.12481     6.04818
   59    56 S   CO4  _C20    66     1.48220   108.08124   155.44850
   60    59 S   O    _O36    67     1.21732   127.53998   163.75191
   61    56 S   CM   _C19    69     1.33638   133.33497   -21.60075
   62    61 S   HC   _H21    70     1.08348   120.67600    -3.29497
   63    61 S   HC   _H22    71     1.08331   120.67086   176.74622
   64    55 S   CO   _C22    76     1.51914   119.99502    43.66887
   65    64 S   HC   _H8_    77     1.11755   110.59864   166.91102
   66    57 S   CT   _C12    52     1.49876   121.36586   154.32501
   67    66 S   HC   _H16    53     1.09657   109.20810   160.15599
   68    66 S   HC   _H17    54     1.09534   111.55660    43.45780
   69    82 S   OS   _O37    68     1.44163   107.43630   129.59392
   70    64 S   OH   _O39    78     1.43076   110.88065    50.70577
   71    70 S   HO   _H25    79     0.96841   106.27627  -179.92087
   72    55 S   O3T  _O35    80     1.45344   112.53694   175.27387
   73    66 S   CT   _C13    55     1.53820   110.91670   -79.55766
   74    73 S   HC   _H18    56     1.09724   108.59168   -77.98227
   75    73 S   HC   _H19    57     1.09608   110.41702   166.17879
   76    73 S   CM   _C14    58     1.51323   110.94785    43.28598
   77    76 S   CM   _C15    59     1.34743   119.40819  -100.91594
   78    77 S   HC   _H20    60     1.08893   118.71592    -6.37480
   79    76 S   CT   _C21    72     1.50933   116.06184    69.17814
   80    79 S   HC   _H23    73     1.09674   112.14006     8.30409
   81    79 S   HC   _H24    74     1.09663   109.09830   125.69155
   82    77 S   CT   _C16    61     1.49439   125.65496   168.20655
   83    82 S   HC   _H6_    62     1.09677   111.73717    13.84064
   84    79 S   OS   _O38    75     1.43136   112.02168  -115.28837
  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   7   5   4   3
  11   5   4   2   1   1   9   7  10   3   4   2   1   1  10  17
   8  15   6   5  14   7  13   9  13   6   8   3   4   1   1  10
   5   9   6   5   5   4   1   2  10   4   3   8   7   3   4   2
   1   1   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    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    50    53    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    55    82    53    54    56  
   49    50    51    52    55    57    77    82    83    53    54    56    59    69    61    64    72  
   50    51    52    55    82    53    54    56  
   51    52    55    57    58    66    82    53    54    56    84    64    65    70    72  
   52    55    57    53    64    72  
   55    57    53    64    72  
   54    56    59    60    69    61    62    63    55    76    77    78    82    83  
   56    59    69    61    77    82    83  
   57    58    66    67    68    73    79    84    64    65    70    71    72  
   59    60    69    61    62    63    77    82    83  
   58    66    67    68    73    74    75    76    84    64    65    70    72  
   66    67    68    73    64    72  
   60    69    61    62    63    77    82    83  
   69    61    82  
   62    63    69    82  
   63  
    0  
   65    70    71    72    66    76    79    80    81    84  
   70    71    72    79    84  
   67    68    73    74    75    76    77    79    72  
   68    73    74    75    76    72  
   73    74    75    76    72  
   76    77    78    82    83  
   71    72    79    84  
   84  
   73    84  
   74    75    76    77    78    82    79    80    81    84  
   75    76    77    79  
   76    77    79  
   77    78    82    83    79    80    81    84  
   78    82    83    79    80    81    84  
   82    83    79  
   80    81    84    82  
   81    84  
   84  
   83  
    0  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   275.000  1.510
   55    57   260.000  1.509
   55    64   275.000  1.510
   55    72   335.000  1.432
   57    58   340.000  1.088
   57    66   275.000  1.510
   57    72   335.000  1.432
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.510
   76    77   549.000  1.340
   76    79   317.000  1.510
   77    78   340.000  1.080
   77    82   317.000  1.510
   82    83   340.000  1.090
   82    53   268.000  1.529
   82    69   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    59   320.000  1.462
   56    61   549.000  1.340
   59    60   570.000  1.229
   59    69   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   320.000  1.410
   84    64   320.000  1.380
   64    65   340.000  1.090
   64    70   380.000  1.407
   70    71   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    50.00000  109.50000
   47    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    70.00000  112.37300
   48    53    82    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    60.00000  120.94000
   50    55    64    75.00000  109.43000
   50    55    72    80.00000  116.47100
   52    50    51    33.00000  107.80000
   55    50    51    45.00000  109.38400
   55    50    52    45.00000  109.38400
   55    57    58    37.50000  117.20000
   55    57    66    60.00000  120.94000
   55    57    72    15.00000   60.43100
   55    64    84    90.00000  108.56700
   55    64    65    45.00000  112.01100
   55    64    70    90.00000  110.19100
   55    72    57    15.00000   59.14900
   57    66    67    45.00000  109.38400
   57    66    68    45.00000  109.38400
   57    66    73    70.00000  112.37300
   66    57    58    40.00000  115.04500
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    70.00000  112.02700
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    76    77    70.00000  124.00000
   73    76    79    65.00000  117.92700
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    77    78    35.00000  120.00000
   76    77    82    70.00000  124.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    84    85.00000  110.90400
   77    82    83    35.00000  109.50000
   77    82    53    70.00000  112.02700
   77    82    69    85.00000  110.90400
   82    77    78    35.00000  117.00000
   82    53    54    37.50000  110.70000
   82    53    56    70.00000  112.02700
   82    69    59    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    82    83    37.50000  110.70000
   53    56    59    65.00000  116.34900
   53    56    61    70.00000  124.00000
   56    53    54    35.00000  109.50000
   56    59    60    80.00000  123.72100
   56    59    69    90.00000  111.29400
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   69    82    83    35.00000  109.50000
   69    82    53    50.00000  109.50000
   69    59    60    83.00000  123.40000
   61    56    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   79    76    77    70.00000  124.00000
   79    84    64    60.00000  109.50000
   81    79    80    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    81    35.00000  109.50000
   84    64    65    35.00000  109.50000
   84    64    70   110.00000  112.08000
   64    55    57    60.00000  120.94000
   64    70    71    70.00000  107.92000
   70    64    65    60.00000  108.02500
   72    55    57    15.00000   60.43100
   72    55    64    80.00000  116.47100
   72    57    58    50.00000  114.27700
   72    57    66    80.00000  116.47100
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   1.63150  1.0 1.0
   39    41    47    48   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.08050  1.0 3.0
   41    47    48    50  -0.25900  1.0 1.0
   41    47    48    50  -0.47000 -1.0 2.0
   41    47    48    50   0.11750  1.0 3.0
   41    47    48    53  -0.25900  1.0 1.0
   41    47    48    53  -0.47000 -1.0 2.0
   41    47    48    53   0.11750  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    50    51   0.23400  1.0 3.0
   47    48    50    52   0.23400  1.0 3.0
   47    48    50    55  -0.26800  1.0 1.0
   47    48    50    55   0.69150 -1.0 2.0
   47    48    50    55  -0.48750  1.0 3.0
   47    48    53    82   0.62750  1.0 1.0
   47    48    53    82  -0.30950 -1.0 2.0
   47    48    53    82   0.27300  1.0 3.0
   47    48    53    54   0.23400  1.0 3.0
   47    48    53    56   0.61850  1.0 1.0
   47    48    53    56  -0.22750 -1.0 2.0
   47    48    53    56   0.15300  1.0 3.0
   48    50    55    57   0.07850  1.0 1.0
   48    50    55    57  -0.03950 -1.0 2.0
   48    50    55    57   0.67350  1.0 3.0
   48    50    55    64   3.97050  1.0 1.0
   48    50    55    72   0.02550  1.0 1.0
   48    50    55    72  -0.02600 -1.0 2.0
   48    50    55    72   1.20400  1.0 3.0
   48    53    56    59   0.09700  1.0 1.0
   48    53    56    59   0.15600 -1.0 2.0
   48    53    56    59  -0.50800  1.0 3.0
   48    53    56    61   0.09850  1.0 1.0
   48    53    56    61   0.15250 -1.0 2.0
   48    53    56    61  -0.50650  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    82   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    82   0.56750  1.0 1.0
   50    48    53    82  -0.07550 -1.0 2.0
   50    48    53    82   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   0.15000  1.0 3.0
   50    55    57    66   0.56750  1.0 1.0
   50    55    57    66  -0.07550 -1.0 2.0
   50    55    57    66   0.20000  1.0 3.0
   50    55   -57    72   0.02550  1.0 1.0
   50    55   -57    72  -0.02600 -1.0 2.0
   50    55   -57    72   1.20400  1.0 3.0
   50    55    64    84   0.62750  1.0 1.0
   50    55    64    84  -0.30950 -1.0 2.0
   50    55    64    84   0.27300  1.0 3.0
   50    55    64    65   0.15000  1.0 3.0
   50    55    64    70   0.86500  1.0 1.0
   50    55    64    70  -0.17500 -1.0 2.0
   50    55    64    70   0.20800  1.0 3.0
   50    55   -72    57   0.06250  1.0 1.0
   50    55   -72    57  -0.01100 -1.0 2.0
   50    55   -72    57   0.28050  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    64   0.15000  1.0 3.0
   51    50    55    72   0.23400  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    64   0.15000  1.0 3.0
   52    50    55    72   0.23400  1.0 3.0
   55    57    66    67   0.15000  1.0 3.0
   55    57    66    68   0.15000  1.0 3.0
   55    57    66    73   0.07850  1.0 1.0
   55    57    66    73  -0.03950 -1.0 2.0
   55    57    66    73   0.67350  1.0 3.0
   55    64    70    71  -0.11600  1.0 1.0
   55    64    70    71  -0.09450 -1.0 2.0
   55    64    70    71   0.21250  1.0 3.0
   57    55    64    84  -0.26800  1.0 1.0
   57    55    64    84   0.69150 -1.0 2.0
   57    55    64    84  -0.48750  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    70   0.86500  1.0 1.0
   57    55    64    70  -0.17500 -1.0 2.0
   57    55    64    70   0.20800  1.0 3.0
   57    66    73    74   0.15000  1.0 3.0
   57    66    73    75   0.15000  1.0 3.0
   57    66    73    76   0.34400  1.0 1.0
   57    66    73    76   0.09450 -1.0 2.0
   57    66    73    76   0.11100  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    68   0.15000  1.0 3.0
   58    57    66    73   0.15000  1.0 3.0
   58    57   -72    55   0.36800  1.0 3.0
   66    57   -72    55   0.06250  1.0 1.0
   66    57   -72    55  -0.01100 -1.0 2.0
   66    57   -72    55   0.28050  1.0 3.0
   66    73    76    77   0.09850  1.0 1.0
   66    73    76    77   0.15250 -1.0 2.0
   66    73    76    77  -0.50650  1.0 3.0
   66    73    76    79   0.46850  1.0 1.0
   66    73    76    79   0.08550 -1.0 2.0
   66    73    76    79   0.09800  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.15000  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   68    66    73    76   0.15000  1.0 3.0
   73    76    77    78   7.00000 -1.0 2.0
   73    76    77    82   7.00000 -1.0 2.0
   73    76    79    80   0.34800  1.0 3.0
   73    76    79    81   0.34800  1.0 3.0
   73    76    79    84   0.09700  1.0 1.0
   73    76    79    84   0.15600 -1.0 2.0
   73    76    79    84  -0.50800  1.0 3.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    79   0.34800  1.0 3.0
   75    73    76    77   0.00000  1.0 1.0
   75    73    76    79   0.34800  1.0 3.0
   76    77    82    83   0.00000  1.0 1.0
   76    77    82    53   0.09850  1.0 1.0
   76    77    82    53   0.15250 -1.0 2.0
   76    77    82    53  -0.50650  1.0 3.0
   76    77    82    69   0.39000  1.0 1.0
   76    77    82    69  -0.05800 -1.0 2.0
   76    77    82    69  -0.55150  1.0 3.0
   76    79    84    64  -0.77900  1.0 1.0
   76    79    84    64  -0.36900 -1.0 2.0
   76    79    84    64   0.40400  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    84   0.39000  1.0 1.0
   77    76    79    84  -0.05800 -1.0 2.0
   77    76    79    84  -0.55150  1.0 3.0
   77    82    53    48   0.34400  1.0 1.0
   77    82    53    48   0.09450 -1.0 2.0
   77    82    53    48   0.11100  1.0 3.0
   77    82    53    54   0.15000  1.0 3.0
   77    82    53    56   0.31000  1.0 1.0
   77    82    53    56   0.14700 -1.0 2.0
   77    82    53    56   0.07550  1.0 3.0
   77    82    69    59  -0.82050  1.0 1.0
   77    82    69    59   0.00600 -1.0 2.0
   77    82    69    59   0.04400  1.0 3.0
   78    77    82    83   0.33100  1.0 3.0
   78    77    82    53   0.00000  1.0 1.0
   78    77    82    69   0.00000  1.0 1.0
   82    53   -56    59   0.09700  1.0 1.0
   82    53   -56    59   0.15600 -1.0 2.0
   82    53   -56    59  -0.50800  1.0 3.0
   82    53    56    61   0.09850  1.0 1.0
   82    53    56    61   0.15250 -1.0 2.0
   82    53    56    61  -0.50650  1.0 3.0
   83    82    53    48   0.15000  1.0 3.0
   83    82    53    54   0.15000  1.0 3.0
   83    82    53    56   0.15000  1.0 3.0
   83    82    69    59   0.08050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    55   0.47050  1.0 1.0
   53    48    50    55   0.03900 -1.0 2.0
   53    48    50    55   0.20100  1.0 3.0
   53    82   -69    59  -0.25900  1.0 1.0
   53    82   -69    59  -0.47000 -1.0 2.0
   53    82   -69    59   0.11750  1.0 3.0
   53    56    59    60  -0.64400  1.0 1.0
   53    56    59    60   0.26850 -1.0 2.0
   53    56   -59    69  -0.15000  1.0 1.0
   53    56   -59    69   0.89550 -1.0 2.0
   53    56   -59    69  -0.06900  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    63   7.00000 -1.0 2.0
   54    53    56    59   0.15000  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   56    59   -69    82   2.00000 -1.0 2.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   60    59    69    82   3.00000 -1.0 2.0
   69    82    53    48   0.62750  1.0 1.0
   69    82    53    48  -0.30950 -1.0 2.0
   69    82    53    48   0.27300  1.0 3.0
   69    82    53    54   0.23400  1.0 3.0
   69    82   -53    56   0.61850  1.0 1.0
   69    82   -53    56  -0.22750 -1.0 2.0
   69    82   -53    56   0.15300  1.0 3.0
   61    56    59    60   1.00000 -1.0 2.0
   61    56    59    69  -0.56150  1.0 1.0
   61    56    59    69   2.19150 -1.0 2.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    82   7.00000 -1.0 2.0
   79    84    64    55   0.06250  1.0 1.0
   79    84    64    55  -0.01100 -1.0 2.0
   79    84    64    55   0.28050  1.0 3.0
   79    84    64    65   0.37050  1.0 3.0
   79    84    64    70  -0.70900  1.0 1.0
   79    84    64    70  -1.18000 -1.0 2.0
   79    84    64    70   0.91650  1.0 3.0
   80    79    84    64   0.37050  1.0 3.0
   81    79    84    64   0.37050  1.0 3.0
   84    64    70    71  -0.50000  1.0 1.0
   84    64    70    71  -0.73950 -1.0 2.0
   84    64    70    71   0.17150  1.0 3.0
   64    55    57    58   0.15000  1.0 3.0
   64    55    57    66   3.97050  1.0 1.0
   64    55   -57    72   0.02550  1.0 1.0
   64    55   -57    72  -0.02600 -1.0 2.0
   64    55   -57    72   1.20400  1.0 3.0
   64    55   -72    57   0.06250  1.0 1.0
   64    55   -72    57  -0.01100 -1.0 2.0
   64    55   -72    57   0.28050  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   72    55   -57    58   0.23400  1.0 3.0
   72    55   -57    66   0.02550  1.0 1.0
   72    55   -57    66  -0.02600 -1.0 2.0
   72    55   -57    66   1.20400  1.0 3.0
   72    55    64    84   1.11900  1.0 1.0
   72    55    64    84  -1.16350 -1.0 2.0
   72    55    64    84  -0.34150  1.0 3.0
   72    55    64    65   0.23400  1.0 3.0
   72    55    64    70   3.69350  1.0 1.0
   72    55    64    70  -1.82950 -1.0 2.0
   72    57    66    67   0.23400  1.0 3.0
   72    57    66    68   0.23400  1.0 3.0
   72    57    66    73   0.02550  1.0 1.0
   72    57    66    73  -0.02600 -1.0 2.0
   72    57    66    73   1.20400  1.0 3.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  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
   37    30    36    38  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   73    79    76    77   1.10000 -1.0 2.0
   82    78    77    76   1.10000 -1.0 2.0
   53    59    56    61   1.10000 -1.0 2.0
   56    69    59    60  10.50000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
END
