* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    160    247     472
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02062    90.30843   -68.65095
    3     1 S   H    _H1_     3     1.02118    90.27191    40.03736
    4     1 S   H    _H2_     4     1.02110    32.86681   165.75954
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C22    36     1.80758    98.57457   -78.12847
   34    33 S   HC   _H26    37     1.09385   109.22945   -79.27720
   35    33 S   HC   _H27    38     1.09298   109.41965    38.88254
   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   CM   _C20    39     1.48875   110.05614   159.99525
   40    39 S   CM   _C21    40     1.33513   129.88373    90.29848
   41    40 S   OS   _O38    41     1.38804   115.18844  -178.89589
   42    40 S   OH   _O39    85     1.37127   125.90638     1.48648
   43    42 S   HO   _H25    86     0.96549   110.50214  -179.97202
   44    41 S   CT   _C7_    42     1.45464   105.71663     5.88750
   45    44 S   HC   _H3_    43     1.09237   104.39088  -129.03426
   46    44 S   CM   _C6_    44     1.51358   107.49269   117.08539
   47    46 S   HC   _H10    45     1.09151   113.12088    -1.34465
   48    39 S   CT   _C8_    59     1.49811   121.09369   -88.65890
   49    48 S   HC   _H4_    60     1.09505   106.84971    56.89503
   50    46 S   CM   _C5_    46     1.35203   130.26212   172.94206
   51    50 S   CO   _C14    47     1.52667   127.21095     6.50385
   52    50 S   CT   _C4_    81     1.51594   117.57555  -172.37167
   53    52 S   HC   _H7_    82     1.08247   108.72958    89.93373
   54    52 S   HC   _H8_    83     1.08315   108.66434   -30.16644
   55    52 S   HC   _H9_    84     1.08232   108.73543  -149.77365
   56    51 S   CT   _C13    48     1.53169   113.76209   -82.20097
   57    56 S   HC   _H13    49     1.09541   111.25770    33.92871
   58    56 S   HC   _H14    50     1.09519   112.37953   -88.28629
   59    51 S   OH   _O34    79     1.43522   108.81466   155.24431
   60    59 S   HO   _H15    80     0.96649   106.03073   -59.94579
   61    56 S   CT   _C12    51     1.52289   102.06220   150.79322
   62    61 S   HC   _H6_    52     1.09328   112.74714  -157.92280
   63    61 S   CT   _C11    53     1.53929   102.38919   -35.64787
   64    61 S   OH   _O35    77     1.42458   109.11070    82.24979
   65    64 S   HO   _H16    78     0.97025   106.56499    60.05335
   66    63 S   CT   _C10    54     1.54583   110.29860   -86.72065
   67    66 S   HC   _H11    55     1.09622   109.98086    31.40929
   68    66 S   HC   _H12    56     1.10013   108.72803   -80.22469
   69    51 S   OS   _O33    72     1.43164   110.93323    37.70663
   70    63 S   CT   _C15    73     1.52893   113.97322   148.67199
   71    70 S   HC   _H17    74     1.08817   109.75323   -55.33779
   72    70 S   HC   _H18    75     1.08819   109.71185  -175.33133
   73    70 S   HC   _H19    76     1.08833   109.73440    64.67603
   74    66 S   CT   _C9_    57     1.54306   117.82026   155.95046
   75    74 S   HC   _H5_    58     1.10850   108.60553    64.84163
   76    74 S   OS   _O36    61     1.43522   106.39378   179.15165
   77    76 S   CO4  _C16    62     1.35855   115.51710   -85.72496
   78    77 S   O    _O37    63     1.22326   126.07713     0.02798
   79    77 S   CM   _C17    64     1.48953   109.40133  -179.97202
   80    79 S   CM   _C18    65     1.34088   117.32004  -150.03695
   81    80 S   HC   _H20    66     1.08534   120.83303   179.98022
   82    80 S   HC   _H21    67     1.08493   122.69029     0.04423
   83    79 S   CT   _C19    68     1.49835   120.29750    29.92408
   84    83 S   HC   _H22    69     1.09436   110.59596   -90.02167
   85    83 S   HC   _H23    70     1.09425   110.53707    30.54808
   86    83 S   HC   _H24    71     1.09575   111.85649   150.25736
  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  13   9  10   3   1  12   6  13   4  10
   4  13  16   6   2   1   1  12   7   6   4   1  13   6  13   4
   1  11   6   5   5   4   2   1   1   5   2   5   9   3   7   6
   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    74    48    49    42  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    44    45    46    66    74    75    48    49    76    42    43  
   41    44    45    46    74    48    49    42    43  
   44    45    46    47    50    74    48    49    42    43  
   43    44    48  
    0  
   45    46    47    50    51    66    74    75    48    49    76    52  
   46    47    50    74    48    49  
   47    50    51    56    74    48    49    69    59    52    53    54    55  
   50    51    48    52  
   49    76    77    50    63    66    67    68    74    75  
   76    66    74    75  
   51    56    57    58    61    63    69    59    60    52    53    54    55  
   56    57    58    61    62    63    66    69    70    64    59    60    52    53    54    55  
   53    54    55    56    59    69  
   54    55  
   55  
    0  
   57    58    61    62    63    66    69    70    64    65    59    60  
   58    61    62    63    69    64    59  
   61    62    63    69    64    59  
   60    61    63    69  
   69  
   62    63    66    67    68    74    69    70    71    72    73    64    65  
   63    66    69    70    64    65  
   66    67    68    74    75    76    69    70    71    72    73    64    65  
   65    66    69    70  
    0  
   67    68    74    75    76    77    69    70    71    72    73  
   68    74    75    76    69    70  
   74    75    76    69    70  
   70    71    72    73    74  
   71    72    73    74  
   72    73  
   73  
    0  
   75    76    77    78    79  
   76    77  
   77    78    79    80    83  
   78    79    80    81    82    83    84    85    86  
   79    80    83  
   80    81    82    83    84    85    86  
   81    82    83    84    85    86  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   549.000  1.340
   39    48   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    52   317.000  1.510
   51    56   250.000  1.527
   51    69   320.000  1.380
   51    59   380.000  1.407
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    64   320.000  1.410
   63    66   268.000  1.529
   63    69   320.000  1.410
   63    70   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    48   268.000  1.529
   74    76   320.000  1.410
   48    49   340.000  1.090
   76    77   214.000  1.327
   77    78   570.000  1.229
   77    79   320.000  1.462
   79    80   549.000  1.340
   79    83   317.000  1.510
   80    81   340.000  1.080
   80    82   340.000  1.080
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   64    65   553.000  0.945
   59    60   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   42    43   553.000  0.945
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    48    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    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    48    44    70.00000  112.02700
   39    48    74    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    85.00000  110.90400
   41    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    74    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    52    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    56    70.00000  112.02700
   50    51    69    85.00000  110.90400
   50    51    59    90.00000  110.39200
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    35.00000  109.50000
   51    56    57    45.00000  108.72000
   51    56    58    45.00000  108.72000
   51    56    61    75.00000  109.43000
   51    69    63    60.00000  109.50000
   51    59    60    70.00000  107.92000
   56    61    62    37.50000  110.70000
   56    61    63    58.35000  112.70000
   56    61    64    50.00000  109.50000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    63    66    58.35000  112.70000
   61    63    69    50.00000  109.50000
   61    63    70    58.35000  112.70000
   61    64    65    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    74    58.35000  112.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    48    58.35000  112.70000
   66    74    76    50.00000  109.50000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    48    49    37.50000  110.70000
   74    76    77    83.00000  116.90000
   48    39    40    70.00000  124.00000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    74    75    37.50000  110.70000
   76    74    75    35.00000  109.50000
   76    74    48    50.00000  109.50000
   76    77    78    83.00000  123.40000
   76    77    79    90.00000  111.29400
   77    79    80    65.00000  118.96000
   77    79    83    65.00000  116.34900
   79    77    78    80.00000  123.72100
   79    80    81    35.00000  120.00000
   79    80    82    35.00000  120.00000
   79    83    84    35.00000  109.50000
   79    83    85    35.00000  109.50000
   79    83    86    35.00000  109.50000
   82    80    81    35.00000  117.00000
   83    79    80    70.00000  124.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   69    51    56    90.00000  108.56700
   69    63    66    50.00000  109.50000
   70    63    66    58.35000  112.70000
   70    63    69    50.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    50.00000  109.50000
   59    51    56    90.00000  110.19100
   59    51    69   110.00000  112.08000
   52    50    51    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   42    40    41   115.00000  116.36000
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    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    44   0.46850  1.0 1.0
   33    39    48    44   0.08550 -1.0 2.0
   33    39    48    44   0.09800  1.0 3.0
   33    39    48    74   0.46850  1.0 1.0
   33    39    48    74   0.08550 -1.0 2.0
   33    39    48    74   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39   -48    44   0.09850  1.0 1.0
   40    39   -48    44   0.15250 -1.0 2.0
   40    39   -48    44  -0.50650  1.0 3.0
   40    39    48    74   0.09850  1.0 1.0
   40    39    48    74   0.15250 -1.0 2.0
   40    39    48    74  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.48150  1.0 1.0
   40    41    44    46   0.09250 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41   -44    48  -0.46850  1.0 1.0
   40    41   -44    48   0.09300 -1.0 2.0
   40    41   -44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.00000  1.0 1.0
   41    44    46    50   0.39000  1.0 1.0
   41    44    46    50  -0.05800 -1.0 2.0
   41    44    46    50  -0.55150  1.0 3.0
   41    44   -48    39   0.61850  1.0 1.0
   41    44   -48    39  -0.22750 -1.0 2.0
   41    44   -48    39   0.15300  1.0 3.0
   41    44    48    74   0.62750  1.0 1.0
   41    44    48    74  -0.30950 -1.0 2.0
   41    44    48    74   0.27300  1.0 3.0
   41    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    52   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    74   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.31000  1.0 1.0
   46    44    48    39   0.14700 -1.0 2.0
   46    44    48    39   0.07550  1.0 3.0
   46    44    48    74   0.34400  1.0 1.0
   46    44    48    74   0.09450 -1.0 2.0
   46    44    48    74   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    56   0.09850  1.0 1.0
   46    50    51    56   0.15250 -1.0 2.0
   46    50    51    56  -0.50650  1.0 3.0
   46    50    51    69   0.39000  1.0 1.0
   46    50    51    69  -0.05800 -1.0 2.0
   46    50    51    69  -0.55150  1.0 3.0
   46    50    51    59   0.67800  1.0 1.0
   46    50    51    59   0.47050 -1.0 2.0
   46    50    51    59  -0.62500  1.0 3.0
   46    50    52    53   0.00000  1.0 1.0
   46    50    52    54   0.00000  1.0 1.0
   46    50    52    55   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    52   7.00000 -1.0 2.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    58   0.15000  1.0 3.0
   50    51    56    61   0.34400  1.0 1.0
   50    51    56    61   0.09450 -1.0 2.0
   50    51    56    61   0.11100  1.0 3.0
   50    51    69    63  -0.77900  1.0 1.0
   50    51    69    63  -0.36900 -1.0 2.0
   50    51    69    63   0.40400  1.0 3.0
   50    51    59    60  -0.07800  1.0 1.0
   50    51    59    60  -0.21500 -1.0 2.0
   50    51    59    60  -0.03150  1.0 3.0
   51    50    52    53   0.34800  1.0 3.0
   51    50    52    54   0.34800  1.0 3.0
   51    50    52    55   0.34800  1.0 3.0
   51    56    61    62   0.15000  1.0 3.0
   51    56   -61    63   3.97050  1.0 1.0
   51    56    61    64   0.86500  1.0 1.0
   51    56    61    64  -0.17500 -1.0 2.0
   51    56    61    64   0.20800  1.0 3.0
   56    51   -69    63   0.06250  1.0 1.0
   56    51   -69    63  -0.01100 -1.0 2.0
   56    51   -69    63   0.28050  1.0 3.0
   56    51    59    60  -0.11600  1.0 1.0
   56    51    59    60  -0.09450 -1.0 2.0
   56    51    59    60   0.21250  1.0 3.0
   56    61    63    66   0.56750  1.0 1.0
   56    61    63    66  -0.07550 -1.0 2.0
   56    61    63    66   0.20000  1.0 3.0
   56    61   -63    69   0.62750  1.0 1.0
   56    61   -63    69  -0.30950 -1.0 2.0
   56    61   -63    69   0.27300  1.0 3.0
   56    61    63    70   0.56750  1.0 1.0
   56    61    63    70  -0.07550 -1.0 2.0
   56    61    63    70   0.20000  1.0 3.0
   56    61    64    65  -0.11600  1.0 1.0
   56    61    64    65  -0.09450 -1.0 2.0
   56    61    64    65   0.21250  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    64   0.23400  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    64   0.23400  1.0 3.0
   61    63    66    67   0.15000  1.0 3.0
   61    63    66    68   0.15000  1.0 3.0
   61    63    66    74   0.56750  1.0 1.0
   61    63    66    74  -0.07550 -1.0 2.0
   61    63    66    74   0.20000  1.0 3.0
   61    63   -69    51   0.06250  1.0 1.0
   61    63   -69    51  -0.01100 -1.0 2.0
   61    63   -69    51   0.28050  1.0 3.0
   61    63    70    71   0.15000  1.0 3.0
   61    63    70    72   0.15000  1.0 3.0
   61    63    70    73   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    63    69   0.23400  1.0 3.0
   62    61    63    70   0.15000  1.0 3.0
   62    61    64    65   0.19450  1.0 3.0
   63    61    64    65  -0.11600  1.0 1.0
   63    61    64    65  -0.09450 -1.0 2.0
   63    61    64    65   0.21250  1.0 3.0
   63    66    74    75   0.15000  1.0 3.0
   63    66    74    48   0.56750  1.0 1.0
   63    66    74    48  -0.07550 -1.0 2.0
   63    66    74    48   0.20000  1.0 3.0
   63    66    74    76   0.62750  1.0 1.0
   63    66    74    76  -0.30950 -1.0 2.0
   63    66    74    76   0.27300  1.0 3.0
   66    63    69    51   0.06250  1.0 1.0
   66    63    69    51  -0.01100 -1.0 2.0
   66    63    69    51   0.28050  1.0 3.0
   66    63    70    71   0.15000  1.0 3.0
   66    63    70    72   0.15000  1.0 3.0
   66    63    70    73   0.15000  1.0 3.0
   66    74    48    39   0.34400  1.0 1.0
   66    74    48    39   0.09450 -1.0 2.0
   66    74    48    39   0.11100  1.0 3.0
   66    74    48    44   0.56750  1.0 1.0
   66    74    48    44  -0.07550 -1.0 2.0
   66    74    48    44   0.20000  1.0 3.0
   66    74    48    49   0.15000  1.0 3.0
   66    74    76    77  -0.25900  1.0 1.0
   66    74    76    77  -0.47000 -1.0 2.0
   66    74    76    77   0.11750  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    48   0.15000  1.0 3.0
   67    66    74    76   0.23400  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    48   0.15000  1.0 3.0
   68    66    74    76   0.23400  1.0 3.0
   74    76    77    78   3.00000 -1.0 2.0
   74    76    77    79   2.00000 -1.0 2.0
   75    74    48    39   0.15000  1.0 3.0
   75    74    48    44   0.15000  1.0 3.0
   75    74    48    49   0.15000  1.0 3.0
   75    74    76    77   0.08050  1.0 3.0
   48    39   -40    41   7.00000 -1.0 2.0
   48    39    40    42   7.00000 -1.0 2.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    74    76    77  -0.25900  1.0 1.0
   48    74    76    77  -0.47000 -1.0 2.0
   48    74    76    77   0.11750  1.0 3.0
   76    74    48    39   0.61850  1.0 1.0
   76    74    48    39  -0.22750 -1.0 2.0
   76    74    48    39   0.15300  1.0 3.0
   76    74    48    44   0.62750  1.0 1.0
   76    74    48    44  -0.30950 -1.0 2.0
   76    74    48    44   0.27300  1.0 3.0
   76    74    48    49   0.23400  1.0 3.0
   76    77    79    80  -0.56150  1.0 1.0
   76    77    79    80   2.19150 -1.0 2.0
   76    77    79    83  -0.15000  1.0 1.0
   76    77    79    83   0.89550 -1.0 2.0
   76    77    79    83  -0.06900  1.0 3.0
   77    79    80    81   7.00000 -1.0 2.0
   77    79    80    82   7.00000 -1.0 2.0
   77    79    83    84   0.15000  1.0 3.0
   77    79    83    85   0.15000  1.0 3.0
   77    79    83    86   0.15000  1.0 3.0
   78    77    79    80   1.00000 -1.0 2.0
   78    77    79    83  -0.64400  1.0 1.0
   78    77    79    83   0.26850 -1.0 2.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    85   0.00000  1.0 1.0
   80    79    83    86   0.00000  1.0 1.0
   83    79    80    81   7.00000 -1.0 2.0
   83    79    80    82   7.00000 -1.0 2.0
   69    51    56    57   0.23400  1.0 3.0
   69    51    56    58   0.23400  1.0 3.0
   69    51   -56    61   0.62750  1.0 1.0
   69    51   -56    61  -0.30950 -1.0 2.0
   69    51   -56    61   0.27300  1.0 3.0
   69    51    59    60  -0.50000  1.0 1.0
   69    51    59    60  -0.73950 -1.0 2.0
   69    51    59    60   0.17150  1.0 3.0
   69    63    66    67   0.23400  1.0 3.0
   69    63    66    68   0.23400  1.0 3.0
   69    63    66    74   0.62750  1.0 1.0
   69    63    66    74  -0.30950 -1.0 2.0
   69    63    66    74   0.27300  1.0 3.0
   69    63    70    71   0.23400  1.0 3.0
   69    63    70    72   0.23400  1.0 3.0
   69    63    70    73   0.23400  1.0 3.0
   70    63    66    67   0.15000  1.0 3.0
   70    63    66    68   0.15000  1.0 3.0
   70    63    66    74   0.56750  1.0 1.0
   70    63    66    74  -0.07550 -1.0 2.0
   70    63    66    74   0.20000  1.0 3.0
   70    63    69    51   0.06250  1.0 1.0
   70    63    69    51  -0.01100 -1.0 2.0
   70    63    69    51   0.28050  1.0 3.0
   64    61    63    66   0.86500  1.0 1.0
   64    61    63    66  -0.17500 -1.0 2.0
   64    61    63    66   0.20800  1.0 3.0
   64    61    63    69   3.69350  1.0 1.0
   64    61    63    69  -1.82950 -1.0 2.0
   64    61    63    70   0.86500  1.0 1.0
   64    61    63    70  -0.17500 -1.0 2.0
   64    61    63    70   0.20800  1.0 3.0
   59    51    56    57   0.23400  1.0 3.0
   59    51    56    58   0.23400  1.0 3.0
   59    51    56    61   0.86500  1.0 1.0
   59    51    56    61  -0.17500 -1.0 2.0
   59    51    56    61   0.20800  1.0 3.0
   59    51    69    63  -0.70900  1.0 1.0
   59    51    69    63  -1.18000 -1.0 2.0
   59    51    69    63   0.91650  1.0 3.0
   52    50    51    56   0.46850  1.0 1.0
   52    50    51    56   0.08550 -1.0 2.0
   52    50    51    56   0.09800  1.0 3.0
   52    50    51    69   0.09700  1.0 1.0
   52    50    51    69   0.15600 -1.0 2.0
   52    50    51    69  -0.50800  1.0 3.0
   52    50    51    59   0.18000  1.0 1.0
   52    50    51    59   0.16450 -1.0 2.0
   52    50    51    59   0.04450  1.0 3.0
   42    40    41    44   2.00000 -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    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    52    50    46   1.10000 -1.0 2.0
   76    79    77    78  10.50000 -1.0 2.0
   77    83    79    80  15.00000 -1.0 2.0
   81    82    80    79  15.00000 -1.0 2.0
END
