* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    167    266     502
    1     0 S   NP   _N1_     1    28.91523    92.24442   -21.23223
    2     1 S   H    _HN1     2     1.02850    18.91851   133.54582
    3     1 S   H    _H1_     3     1.02794    90.61451   -70.91196
    4     1 S   H    _H2_     4     1.02950   106.39257    38.28332
    5     1 S   CT   _CA1     5     1.50073   126.49877   170.65900
    6     5 S   HC   _HA1     6     1.09584   105.29225    47.48265
    7     5 S   CO3  _C1_     7     1.53794   112.04882   -72.64101
    8     7 S   O2Z  _O11     8     1.26405   115.24461   -55.15954
    9     7 S   O2Z  _O12     9     1.26211   114.89242   124.10164
   10     5 S   CT   _CB1    10     1.53078   107.41063   165.10427
   11    10 S   HC   HB11    11     1.09821   109.44819   -51.91531
   12    10 S   HC   HB12    12     1.09834   110.39488    64.57756
   13    10 S   CT   _CG1    13     1.53058   112.62960  -173.08942
   14    13 S   HC   HG11    14     1.09604   110.22966   -58.00255
   15    13 S   HC   HG12    15     1.09599   110.32196    61.22555
   16    13 S   C    _CD1    16     1.51791   111.79124  -178.56755
   17    16 S   O    _OE1    17     1.22757   123.03879   -16.89168
   18    16 S   N    _N2_    18     1.38598   111.90087   163.41587
   19    18 S   H    _HN2    19     1.01579   119.08512     2.93338
   20    18 S   CT1  _CA2    20     1.46322   123.25678  -174.52138
   21    20 S   HC   _HA2    21     1.09725   109.35790   -17.56317
   22    20 S   C    _C2_    22     1.53298   108.31510  -133.58984
   23    22 S   O    _O2_    23     1.23002   122.28538  -144.34475
   24    20 S   CT   _CB2    32     1.53612   111.14333   104.37455
   25    24 S   HC   HB21    33     1.09586   109.31919    56.39108
   26    24 S   HC   HB22    34     1.09485   110.76919   175.25109
   27    22 S   N    _N3_    24     1.38516   113.25198    42.87486
   28    27 S   H    _HN3    25     1.01541   118.91141    -0.50590
   29    24 S   S    _SG2    35     1.82789   111.55307   -64.63333
   30    27 S   CT   _CA3    26     1.45448   123.39455   175.09124
   31    30 S   HC   HA31    27     1.09527   109.16942    25.52850
   32    30 S   HC   HA32    28     1.09493   107.13612   142.52751
   33    29 S   CT   _C5_    36     1.83938    99.94865   159.47796
   34    33 S   HC   _H3_    37     1.09573   108.62669   -27.60077
   35    30 S   CO3  _C3_    29     1.52936   113.17635   -97.89723
   36    35 S   O2Z  _O31    30     1.26397   115.43435   -43.69235
   37    35 S   O2Z  _O32    31     1.26359   114.96049   137.25040
   38    33 S   CT   _C6_    38     1.55408   110.77672  -147.13256
   39    38 S   HC   _H4_    39     1.09825   108.00032   -62.21002
   40    33 S   CT   _C4_    84     1.53062   107.08613    89.80661
   41    40 S   HC   _H10    85     1.09604   111.69140    63.70254
   42    40 S   HC   _H11    86     1.09586   111.50871   -57.62581
   43    40 S   HC   _H12    87     1.09357   111.20879  -176.41515
   44    38 S   CO4  _C20    40     1.52434   110.22246  -178.19290
   45    44 S   O    _O36    41     1.22500   123.19134   119.04647
   46    38 S   CT   _C7_    68     1.54900   113.26068    59.10153
   47    46 S   HC   _H13    69     1.09667   107.82537    55.62254
   48    46 S   HC   _H14    70     1.09660   110.81280   -59.11104
   49    44 S   OS   _O35    42     1.36604   111.28364   -59.87506
   50    49 S   CT   _C17    43     1.43817   116.64983   174.27995
   51    50 S   HC   _H9_    44     1.09539   109.96111    48.22460
   52    50 S   CT   _C18    45     1.52835   109.57979   -76.47108
   53    52 S   HC   _H21    46     1.09668   110.45090   169.79429
   54    52 S   HC   _H22    47     1.09289   114.01443    47.68209
   55    52 S   CT   _C19    48     1.52093   103.05258   -72.50689
   56    55 S   HC   _H23    49     1.09407   111.64885    80.71130
   57    55 S   HC   _H24    50     1.09315   113.41035  -153.80462
   58    55 S   NP   _N4_    51     1.51053   103.91591   -36.35044
   59    58 S   H    _H7_    52     1.02979   108.31827  -103.97703
   60    58 S   CT   _C15    53     1.51594   116.63718   133.89765
   61    60 S   HC   _H19    54     1.09531   106.93753   124.50582
   62    60 S   HC   _H20    55     1.09388   110.08429     6.19714
   63    60 S   CT   _C14    56     1.52628   105.47258  -115.57328
   64    63 S   HC   _H6_    57     1.09362   110.92988    93.43831
   65    63 S   CT   _C13    58     1.52405   103.53846   -27.75278
   66    65 S   HC   _H5_    59     1.10218   107.66628   -72.40678
   67    63 S   OH   _O37    82     1.41814   111.10680  -145.68848
   68    67 S   HO   _H25    83     0.97273   107.73933   -66.96061
   69    65 S   CT   _C12    60     1.52638   117.21861   169.78910
   70    69 S   HC   _H17    61     1.09652   108.38270    82.20881
   71    69 S   HC   _H18    62     1.09588   110.46531  -161.52586
   72    50 S   CT   _C16    80     1.53342   112.31681   172.18006
   73    72 S   HC   _H8_    81     1.09800   109.38109  -169.00227
   74    69 S   OS   _O34    63     1.43301   112.95434   -34.11228
   75    74 S   CO4  _C11    64     1.36352   118.02641  -127.98609
   76    75 S   O    _O33    65     1.22605   125.13644    12.25559
   77    75 S   CT   _C10    66     1.53658   111.05392  -168.11311
   78    77 S   CM   _C8_    67     1.52571   107.20248  -101.34187
   79    77 S   CT   _C21    74     1.53649   107.64536   132.90214
   80    79 S   HC   _H26    75     1.09712   110.37032   -63.37360
   81    79 S   HC   _H27    76     1.09629   111.15288   178.85192
   82    79 S   HC   _H28    77     1.09526   112.74146    56.65952
   83    77 S   OH   _O38    78     1.42550   110.75588    17.61332
   84    83 S   HO   _H29    79     0.97621   108.08826   177.30173
   85    78 S   CM   _C9_    71     1.34546   123.36511  -105.78644
   86    85 S   HC   _H15    72     1.08376   122.52375     1.69558
   87    85 S   HC   _H16    73     1.08486   121.62046  -177.76437
  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  10   5   4   3
  14   8   2   1   1  15   8   5   2   1   1  10   3  11   4   3
  10  16   8  11   6   5  11   5   4  12   7  11   6   5  11   6
  10   7   3   1   8   4   3   2   1   6  10   4  10   9   6   3
   2   1   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    49    78    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    77    78    46    47    48    85    40    41    42    43  
   44    45    49    78    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    78    46    47    48    72  
   49    50    46  
   47    48    85    86    87    79    83    49    75    77    78  
   48    85    77    78  
   85    77    78  
   50    51    52    53    54    55    58    65    72    73  
   51    52    53    54    55    56    57    58    59    60    63    65    66    69    72    73  
   52    53    54    55    58    65    72    73  
   53    54    55    56    57    58    59    60    65    72    73  
   54    55    56    57    58    72  
   55    56    57    58    72  
   56    57    58    59    60    61    62    63    65    72    73  
   57    58    59    60    72  
   58    59    60    72  
   59    60    61    62    63    64    65    66    69    72    73    67  
   60    61    62    63    65    72    73  
   61    62    63    64    65    66    69    72    73    67    68  
   62    63    64    65    72    67  
   63    64    65    72    67  
   64    65    66    69    70    71    74    72    73    67    68  
   65    66    69    72    67    68  
   66    69    70    71    74    75    72    73    67    68  
   69    70    71    74    72    73    67  
   68    69    72  
    0  
   70    71    74    75    76    77    72    73  
   71    74    75    72  
   74    75    72  
   73    74  
    0  
   75    76    77    78    79    83  
   76    77    78    85    79    80    81    82    83    84  
   77    78    79    83  
   78    85    86    87    79    80    81    82    83    84  
   85    86    87    79    80    81    82    83    84  
   80    81    82    83    84    85  
   81    82    83  
   82    83  
   83  
   84    85  
    0  
   86    87  
   87  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   59   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   2.4200   0.0300   0.115000   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   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    72   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   367.000  1.471
   58    59   434.000  1.010
   58    60   367.000  1.471
   58    72   367.000  1.471
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   320.000  1.410
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    72   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   320.000  1.410
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   317.000  1.510
   77    79   268.000  1.529
   77    83   320.000  1.410
   78    46   317.000  1.510
   78    85   549.000  1.340
   46    47   340.000  1.090
   46    48   340.000  1.090
   85    86   340.000  1.080
   85    87   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   553.000  0.945
   72    73   340.000  1.090
   67    68   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    81.00000  111.40000
   38    46    78    70.00000  112.02700
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    49    50    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    72    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    72    58    80.00000  111.20000
   50    72    65    58.35000  112.70000
   50    72    73    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    80.00000  111.20000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    35.00000  109.50000
   55    58    60    75.00000  113.01200
   55    58    72    75.00000  113.01200
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    80.00000  111.20000
   58    72    65    80.00000  111.20000
   58    72    73    35.00000  109.50000
   60    58    59    35.00000  109.50000
   60    63    64    37.50000  110.70000
   60    63    65    58.35000  112.70000
   60    63    67    50.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    72    58.35000  112.70000
   63    67    68    55.00000  108.50000
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    74    50.00000  109.50000
   65    72    73    37.50000  110.70000
   69    65    66    37.50000  110.70000
   69    74    75    83.00000  116.90000
   71    69    70    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    35.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    81.00000  111.40000
   75    77    78    70.00000  109.06800
   75    77    79    63.00000  111.10000
   75    77    83    90.00000  109.61100
   77    75    76    80.00000  120.40000
   77    78    46    65.00000  117.92700
   77    78    85    70.00000  124.00000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    82    37.50000  110.70000
   77    83    84    55.00000  108.50000
   78    46    47    35.00000  109.50000
   78    46    48    35.00000  109.50000
   78    85    86    35.00000  120.00000
   78    85    87    35.00000  120.00000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   85    78    46    70.00000  124.00000
   87    85    86    35.00000  117.00000
   79    77    78    70.00000  112.02700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    77    78    90.00000  110.39200
   83    77    79    50.00000  109.50000
   72    50    51    37.50000  110.70000
   72    50    52    58.35000  112.70000
   72    58    59    35.00000  109.50000
   72    58    60    75.00000  113.01200
   72    65    66    37.50000  110.70000
   72    65    69    58.35000  112.70000
   67    63    64    35.00000  109.50000
   67    63    65    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.36750  1.0 3.0
   33    38    46    78   0.34400  1.0 1.0
   33    38    46    78   0.09450 -1.0 2.0
   33    38    46    78   0.11100  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    49    50   1.63150  1.0 1.0
   38    44    49    50   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   39    38    46    78   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   44    38    46    78  -0.98800  1.0 1.0
   44    38    46    78   0.48800 -1.0 2.0
   44    38    46    78   0.76800  1.0 3.0
   44    38    46    47  -0.11250  1.0 3.0
   44    38    46    48  -0.11250  1.0 3.0
   44    49    50    51   0.08050  1.0 3.0
   44    49    50    52  -0.25900  1.0 1.0
   44    49    50    52  -0.47000 -1.0 2.0
   44    49    50    52   0.11750  1.0 3.0
   44    49    50    72  -0.25900  1.0 1.0
   44    49    50    72  -0.47000 -1.0 2.0
   44    49    50    72   0.11750  1.0 3.0
   45    44    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   49    50    72    58   1.69300  1.0 1.0
   49    50    72    58  -0.48450 -1.0 2.0
   49    50    72    65   0.62750  1.0 1.0
   49    50    72    65  -0.30950 -1.0 2.0
   49    50    72    65   0.27300  1.0 3.0
   49    50    72    73   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.36600  1.0 1.0
   50    52   -55    58  -0.11450 -1.0 2.0
   50    52   -55    58   0.24250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    72    58   0.19200  1.0 3.0
   51    50    72    65   0.15000  1.0 3.0
   51    50    72    73   0.15000  1.0 3.0
   52    50   -72    58   1.36600  1.0 1.0
   52    50   -72    58  -0.11450 -1.0 2.0
   52    50   -72    58   0.24250  1.0 3.0
   52    50    72    65   0.56750  1.0 1.0
   52    50    72    65  -0.07550 -1.0 2.0
   52    50    72    65   0.20000  1.0 3.0
   52    50    72    73   0.15000  1.0 3.0
   52    55    58    59   0.17350  1.0 3.0
   52    55    58    60   0.47100  1.0 1.0
   52    55   -58    72   0.47100  1.0 1.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.19200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.19200  1.0 3.0
   55    58    60    61   0.15000  1.0 3.0
   55    58    60    62   0.15000  1.0 3.0
   55    58    60    63   0.47100  1.0 1.0
   55    58   -72    50   0.47100  1.0 1.0
   55    58    72    65   0.47100  1.0 1.0
   55    58    72    73   0.15000  1.0 3.0
   56    55    58    59   0.13050  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    72   0.15000  1.0 3.0
   57    55    58    59   0.13050  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    72   0.15000  1.0 3.0
   58    60    63    64   0.19200  1.0 3.0
   58    60   -63    65   1.36600  1.0 1.0
   58    60   -63    65  -0.11450 -1.0 2.0
   58    60   -63    65   0.24250  1.0 3.0
   58    60    63    67   1.69300  1.0 1.0
   58    60    63    67  -0.48450 -1.0 2.0
   59    58    60    61   0.13050  1.0 3.0
   59    58    60    62   0.13050  1.0 3.0
   59    58    60    63   0.17350  1.0 3.0
   59    58    72    50   0.17350  1.0 3.0
   59    58    72    65   0.17350  1.0 3.0
   59    58    72    73   0.13050  1.0 3.0
   60    58    72    50   0.47100  1.0 1.0
   60    58   -72    65   0.47100  1.0 1.0
   60    58    72    73   0.15000  1.0 3.0
   60    63    65    66   0.15000  1.0 3.0
   60    63    65    69   0.56750  1.0 1.0
   60    63    65    69  -0.07550 -1.0 2.0
   60    63    65    69   0.20000  1.0 3.0
   60    63   -65    72   0.56750  1.0 1.0
   60    63   -65    72  -0.07550 -1.0 2.0
   60    63   -65    72   0.20000  1.0 3.0
   60    63    67    68  -0.11600  1.0 1.0
   60    63    67    68  -0.09450 -1.0 2.0
   60    63    67    68   0.21250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    67   0.23400  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    67   0.23400  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65    69    71   0.15000  1.0 3.0
   63    65    69    74   0.62750  1.0 1.0
   63    65    69    74  -0.30950 -1.0 2.0
   63    65    69    74   0.27300  1.0 3.0
   63    65    72    50   0.56750  1.0 1.0
   63    65    72    50  -0.07550 -1.0 2.0
   63    65    72    50   0.20000  1.0 3.0
   63    65   -72    58   1.36600  1.0 1.0
   63    65   -72    58  -0.11450 -1.0 2.0
   63    65   -72    58   0.24250  1.0 3.0
   63    65    72    73   0.15000  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    72   0.15000  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68  -0.11600  1.0 1.0
   65    63    67    68  -0.09450 -1.0 2.0
   65    63    67    68   0.21250  1.0 3.0
   65    69    74    75  -0.25900  1.0 1.0
   65    69    74    75  -0.47000 -1.0 2.0
   65    69    74    75   0.11750  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    74   0.23400  1.0 3.0
   66    65    72    50   0.15000  1.0 3.0
   66    65    72    58   0.19200  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   69    65    72    50   0.56750  1.0 1.0
   69    65    72    50  -0.07550 -1.0 2.0
   69    65    72    50   0.20000  1.0 3.0
   69    65    72    58   1.36600  1.0 1.0
   69    65    72    58  -0.11450 -1.0 2.0
   69    65    72    58   0.24250  1.0 3.0
   69    65    72    73   0.15000  1.0 3.0
   69    74    75    76   3.00000 -1.0 2.0
   69    74    75    77   1.63150  1.0 1.0
   69    74    75    77   2.92000 -1.0 2.0
   70    69    74    75   0.08050  1.0 3.0
   71    69    74    75   0.08050  1.0 3.0
   74    75    77    78   0.40000  1.0 3.0
   74    75    77    79   0.36750  1.0 3.0
   74    75    77    83   0.30750  1.0 1.0
   74    75    77    83   1.13850 -1.0 2.0
   74    75    77    83   0.38850  1.0 3.0
   75    77    78    46   0.17250  1.0 1.0
   75    77    78    46  -0.04100 -1.0 2.0
   75    77    78    46  -0.33850  1.0 3.0
   75    77    78    85  -0.51250  1.0 1.0
   75    77    78    85  -0.88800 -1.0 2.0
   75    77    78    85   0.08850  1.0 3.0
   75    77    79    80  -0.11250  1.0 3.0
   75    77    79    81  -0.11250  1.0 3.0
   75    77    79    82  -0.11250  1.0 3.0
   75    77    83    84   0.91850  1.0 1.0
   75    77    83    84   0.57950  1.0 3.0
   76    75    77    78   0.30150 -1.0 2.0
   76    75    77    79   0.30150 -1.0 2.0
   76    75    77    83   0.30150 -1.0 2.0
   77    78    46    38   0.46850  1.0 1.0
   77    78    46    38   0.08550 -1.0 2.0
   77    78    46    38   0.09800  1.0 3.0
   77    78    46    47   0.34800  1.0 3.0
   77    78    46    48   0.34800  1.0 3.0
   77    78    85    86   7.00000 -1.0 2.0
   77    78    85    87   7.00000 -1.0 2.0
   78    77    79    80   0.15000  1.0 3.0
   78    77    79    81   0.15000  1.0 3.0
   78    77    79    82   0.15000  1.0 3.0
   78    77    83    84  -0.07800  1.0 1.0
   78    77    83    84  -0.21500 -1.0 2.0
   78    77    83    84  -0.03150  1.0 3.0
   46    38    44    45   0.30150 -1.0 2.0
   46    38    44    49   0.36750  1.0 3.0
   46    78    85    86   7.00000 -1.0 2.0
   46    78    85    87   7.00000 -1.0 2.0
   85    78    46    38   0.09850  1.0 1.0
   85    78    46    38   0.15250 -1.0 2.0
   85    78    46    38  -0.50650  1.0 3.0
   85    78    46    47   0.00000  1.0 1.0
   85    78    46    48   0.00000  1.0 1.0
   79    77    78    46   0.46850  1.0 1.0
   79    77    78    46   0.08550 -1.0 2.0
   79    77    78    46   0.09800  1.0 3.0
   79    77    78    85   0.09850  1.0 1.0
   79    77    78    85   0.15250 -1.0 2.0
   79    77    78    85  -0.50650  1.0 3.0
   79    77    83    84  -0.11600  1.0 1.0
   79    77    83    84  -0.09450 -1.0 2.0
   79    77    83    84   0.21250  1.0 3.0
   83    77    78    46   0.18000  1.0 1.0
   83    77    78    46   0.16450 -1.0 2.0
   83    77    78    46   0.04450  1.0 3.0
   83    77    78    85   0.67800  1.0 1.0
   83    77    78    85   0.47050 -1.0 2.0
   83    77    78    85  -0.62500  1.0 3.0
   83    77    79    80   0.23400  1.0 3.0
   83    77    79    81   0.23400  1.0 3.0
   83    77    79    82   0.23400  1.0 3.0
   72    50    52    53   0.15000  1.0 3.0
   72    50    52    54   0.15000  1.0 3.0
   72    50   -52    55   0.56750  1.0 1.0
   72    50   -52    55  -0.07550 -1.0 2.0
   72    50   -52    55   0.20000  1.0 3.0
   72    58    60    61   0.15000  1.0 3.0
   72    58    60    62   0.15000  1.0 3.0
   72    58   -60    63   0.47100  1.0 1.0
   72    65    69    70   0.15000  1.0 3.0
   72    65    69    71   0.15000  1.0 3.0
   72    65    69    74   0.62750  1.0 1.0
   72    65    69    74  -0.30950 -1.0 2.0
   72    65    69    74   0.27300  1.0 3.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69   0.86500  1.0 1.0
   67    63    65    69  -0.17500 -1.0 2.0
   67    63    65    69   0.20800  1.0 3.0
   67    63    65    72   0.86500  1.0 1.0
   67    63    65    72  -0.17500 -1.0 2.0
   67    63    65    72   0.20800  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  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
   38    49    44    45  10.50000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   77    46    78    85   1.10000 -1.0 2.0
   86    87    85    78   1.10000 -1.0 2.0
END
