* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    162    246     479
    1     0 S   NP   _N1_     1    29.29288    90.34617   -22.41882
    2     1 S   H    _HN1     2     1.02944    14.16677    89.79781
    3     1 S   H    _H1_     3     1.02761    93.84746   -84.26828
    4     1 S   H    _H2_     4     1.03104   114.28362    27.44083
    5     1 S   CT   _CA1     5     1.50627   115.83753   158.81824
    6     5 S   HC   _HA1     6     1.09668   104.72180    51.11884
    7     5 S   CO3  _C1_     7     1.54542   110.88283   -64.73450
    8     7 S   O2Z  _O11     8     1.26025   116.78244  -122.95249
    9     7 S   O2Z  _O12     9     1.26587   113.83336    56.04253
   10     5 S   CT   _CB1    10     1.53051   106.77880   167.21624
   11    10 S   HC   HB11    11     1.09838   109.99323   -42.68784
   12    10 S   HC   HB12    12     1.09659   109.79945    73.64751
   13    10 S   CT   _CG1    13     1.53118   113.06239  -163.71377
   14    13 S   HC   HG11    14     1.09452   110.92186   -50.31036
   15    13 S   HC   HG12    15     1.09600   110.19215    68.71339
   16    13 S   C    _CD1    16     1.51840   111.20458  -171.58112
   17    16 S   O    _OE1    17     1.22811   122.78634   -23.53057
   18    16 S   N    _N2_    18     1.38563   112.25195   157.20036
   19    18 S   H    _HN2    19     1.01568   119.23739     2.22193
   20    18 S   CT1  _CA2    20     1.46256   123.15018  -175.77928
   21    20 S   HC   _HA2    21     1.09731   109.30222   -13.81899
   22    20 S   C    _C2_    22     1.53340   108.53315  -129.68510
   23    22 S   O    _O2_    23     1.23015   122.23021  -145.84925
   24    20 S   CT   _CB2    32     1.53566   111.47281   107.94191
   25    24 S   HC   HB21    33     1.09606   109.82834    57.94443
   26    24 S   HC   HB22    34     1.09522   110.40385   176.95876
   27    22 S   N    _N3_    24     1.38507   113.35655    41.53468
   28    27 S   H    _HN3    25     1.01532   118.90087    -0.56752
   29    24 S   S    _SG2    35     1.82602   111.93115   -62.79304
   30    27 S   CT   _CA3    26     1.45445   123.39575   175.08522
   31    30 S   HC   HA31    27     1.09527   109.16710    25.67018
   32    30 S   HC   HA32    28     1.09494   107.13796   142.66304
   33    29 S   CT   _C21    36     1.82653    99.15995   175.03841
   34    33 S   HC   _H3_    37     1.09483   107.57548    74.28488
   35    33 S   HC   _H4_    38     1.09458   108.66365   -42.82564
   36    30 S   CO3  _C3_    29     1.52932   113.17227   -97.75825
   37    36 S   O2Z  _O31    30     1.26398   115.42843   -43.95787
   38    36 S   O2Z  _O32    31     1.26360   114.96763   136.98903
   39    33 S   CT   _C22    39     1.53759   110.76586  -164.96249
   40    39 S   HC   _H51    40     1.09938   108.76951   -47.43688
   41    39 S   CO4  _C11    41     1.52428   110.48397    70.57616
   42    41 S   O    _O22    42     1.22467   124.20928    41.94977
   43    39 S   CT   _C23    81     1.54075   111.89467  -166.01735
   44    43 S   HC   _H52    82     1.09711   108.91924    56.46297
   45    41 S   OS   _O27    43     1.36673   110.07979  -139.18794
   46    43 S   CT   _C20    83     1.52903   115.38057   -66.74245
   47    46 S   HC   _H47    84     1.09302   111.81763    52.93552
   48    46 S   HC   _H48    85     1.09420   111.50889   -70.50508
   49    43 S   OH   _O26    88     1.43187   108.43251   171.16669
   50    49 S   HO   _H55    89     0.97375   106.89407   178.51945
   51    45 S   CT   _C17    44     1.45489   117.23847  -178.50237
   52    51 S   HC   _H41    45     1.09649   108.72695   -31.12247
   53    46 S   OH   _O25    86     1.42633   108.36948   171.72626
   54    53 S   HO   _H54    87     0.97276   106.98121   179.75772
   55    51 S   CT   _C13    46     1.55964   103.99775    87.18827
   56    55 S   HC   _H35    47     1.09882   107.85864    68.22997
   57    55 S   HC   _H36    48     1.09890   109.24369   -44.10984
   58    51 S   CT   _C16    63     1.56648   108.66692  -148.99637
   59    58 S   HC   _H40    64     1.09912   108.64406   -72.07804
   60    55 S   CM   _C6_    49     1.51152   117.19631  -165.69885
   61    58 S   CM   _C8_    65     1.50777   118.17738    48.57824
   62    60 S   CM   _C4_    50     1.35043   119.57936  -118.51620
   63    62 S   HC   _H29    51     1.08974   118.41254    -4.74016
   64    61 S   CO4  _C9_    66     1.48014   109.61507   142.34257
   65    64 S   O    _O21    67     1.21860   127.38930   174.95251
   66    61 S   CM   _C10    69     1.33703   131.81662   -40.33243
   67    66 S   HC   _H31    70     1.08110   122.48289    -0.49575
   68    66 S   HC   _H32    71     1.08597   121.72186  -178.93284
   69    60 S   CT   _C18    77     1.50398   115.36804    58.93943
   70    69 S   HC   _H42    78     1.09353   111.01028   -70.46766
   71    69 S   HC   _H43    79     1.09230   113.08041   167.90229
   72    69 S   HC   _H44    80     1.09560   109.88084    49.15324
   73    62 S   CT   _C12    52     1.51115   126.55353   161.98335
   74    73 S   HC   _H33    53     1.09374   112.11242    26.66976
   75    73 S   HC   _H34    54     1.09610   109.01697   143.99501
   76    86 S   OS   _O23    68     1.43217   107.56151   105.12001
   77    73 S   CT   _C14    55     1.55088   110.26354   -95.79613
   78    77 S   HC   _H37    56     1.09829   109.27229   -70.04057
   79    77 S   HC   _H38    57     1.09581   109.84024   174.23802
   80    77 S   CM   _C7_    58     1.52321   110.75245    51.41606
   81    80 S   CM   _C5_    59     1.35123   117.99430   -85.75394
   82    81 S   HC   _H30    60     1.08962   118.01660   -11.78435
   83    80 S   CT   _C19    72     1.50443   116.32339    85.74328
   84    83 S   HC   _H45    73     1.09391   110.72763   -55.72926
   85    83 S   HC   _H46    74     1.09244   112.78844  -177.52377
   86    81 S   CT   _C15    61     1.49901   126.45155   156.24069
   87    86 S   HC   _H39    62     1.09511   110.81141   -11.96441
   88    83 S   OH   _O24    75     1.42338   108.99881    63.47267
   89    88 S   HO   _H53    76     0.97236   106.84929   178.10607
  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  13   7  10   3   9   6  10   6   4   3
   2   1  16   8   1   1  14   5   4  14   7  10   9  12   5   8
   3   4   1   1   4   2   1   1   8   5   4   5  10   4   3   9
   7   3   5   3   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    45    43    44    46    49  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    51    43    44    46    47    48    53    49    50  
   41    42    45    43    44    46    49  
   42    45    51    52    55    58    43    44    46    49  
   45    51    43  
   44    46    47    48    53    54    49    50    45  
   46    47    48    53    49    50  
   51    52    55    56    57    60    86    58    59    61  
   47    48    53    54    49    50  
   48    53    54    49  
   53    54    49  
   50    53  
    0  
   52    55    56    57    60    62    81    86    87    58    59    61    64    76    66    69  
   55    56    57    60    86    58    59    61  
   54  
    0  
   56    57    60    62    63    73    86    58    59    61    69    70    71    72  
   57    60    62    58    69  
   60    62    58    69  
   59    61    64    65    76    66    67    68    60    80    81    82    86    87  
   61    64    76    66    81    86    87  
   62    63    73    74    75    77    69    70    71    72  
   64    65    76    66    67    68    81    86    87  
   63    73    74    75    77    78    79    80    69    70    71    72  
   73    74    75    77    69  
   65    76    66    67    68    81    86    87  
   76    66    86  
   67    68    76    86  
   68  
    0  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    77    78    79    80    81    83  
   75    77    78    79    80  
   77    78    79    80  
   80    81    82    86    87  
   78    79    80    81    82    86    83    84    85    88  
   79    80    81    83  
   80    81    83  
   81    82    86    87    83    84    85    88    89  
   82    86    87    83    84    85    88  
   86    87    83  
   84    85    88    89    86  
   85    88    89  
   88    89  
   87  
    0  
   89  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.145000   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    45   214.000  1.327
   45    51   320.000  1.410
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   317.000  1.510
   60    62   549.000  1.340
   60    69   317.000  1.510
   62    63   340.000  1.080
   62    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   317.000  1.510
   80    81   549.000  1.340
   80    83   317.000  1.510
   81    82   340.000  1.080
   81    86   317.000  1.510
   86    87   340.000  1.090
   86    58   268.000  1.529
   86    76   320.000  1.410
   58    59   340.000  1.090
   58    61   317.000  1.510
   61    64   320.000  1.462
   61    66   549.000  1.340
   64    65   570.000  1.229
   64    76   214.000  1.327
   66    67   340.000  1.080
   66    68   340.000  1.080
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    88   320.000  1.410
   88    89   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   320.000  1.410
   53    54   553.000  0.945
   49    50   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  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    45    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    46    58.35000  112.70000
   39    43    49    50.00000  109.50000
   41    39    40    35.00000  109.50000
   41    45    51    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    51    52    35.00000  109.50000
   45    51    55    50.00000  109.50000
   45    51    58    50.00000  109.50000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    60    70.00000  112.02700
   51    58    86    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    61    70.00000  112.02700
   55    51    52    37.50000  110.70000
   55    60    62    70.00000  124.00000
   55    60    69    65.00000  117.92700
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   60    62    63    35.00000  120.00000
   60    62    73    70.00000  124.00000
   60    69    70    35.00000  109.50000
   60    69    71    35.00000  109.50000
   60    69    72    35.00000  109.50000
   62    73    74    35.00000  109.50000
   62    73    75    35.00000  109.50000
   62    73    77    70.00000  112.02700
   73    62    63    35.00000  117.00000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    80    70.00000  112.02700
   75    73    74    33.00000  107.80000
   77    73    74    37.50000  110.70000
   77    73    75    37.50000  110.70000
   77    80    81    70.00000  124.00000
   77    80    83    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    81    82    35.00000  120.00000
   80    81    86    70.00000  124.00000
   80    83    84    35.00000  109.50000
   80    83    85    35.00000  109.50000
   80    83    88    90.00000  110.39200
   81    86    87    35.00000  109.50000
   81    86    58    70.00000  112.02700
   81    86    76    85.00000  110.90400
   86    81    82    35.00000  117.00000
   86    58    59    37.50000  110.70000
   86    58    61    70.00000  112.02700
   86    76    64    83.00000  116.90000
   58    51    52    37.50000  110.70000
   58    51    55    58.35000  112.70000
   58    86    87    37.50000  110.70000
   58    61    64    65.00000  116.34900
   58    61    66    70.00000  124.00000
   61    58    59    35.00000  109.50000
   61    64    65    80.00000  123.72100
   61    64    76    90.00000  111.29400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   76    86    87    35.00000  109.50000
   76    86    58    50.00000  109.50000
   76    64    65    83.00000  123.40000
   66    61    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   83    80    81    70.00000  124.00000
   83    88    89    55.00000  108.50000
   85    83    84    33.00000  107.80000
   88    83    84    35.00000  109.50000
   88    83    85    35.00000  109.50000
   69    60    62    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    53    50.00000  109.50000
   43    49    50    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    53    54    55.00000  108.50000
   48    46    47    33.00000  107.80000
   53    46    47    35.00000  109.50000
   53    46    48    35.00000  109.50000
   49    43    44    35.00000  109.50000
   49    43    46    50.00000  109.50000
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    45   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    46   0.56750  1.0 1.0
   33    39    43    46  -0.07550 -1.0 2.0
   33    39    43    46   0.20000  1.0 3.0
   33    39    43    49   0.86500  1.0 1.0
   33    39    43    49  -0.17500 -1.0 2.0
   33    39    43    49   0.20800  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    45    51   1.63150  1.0 1.0
   39    41    45    51   2.92000 -1.0 2.0
   39    43    46    47   0.15000  1.0 3.0
   39    43    46    48   0.15000  1.0 3.0
   39    43    46    53   0.86500  1.0 1.0
   39    43    46    53  -0.17500 -1.0 2.0
   39    43    46    53   0.20800  1.0 3.0
   39    43    49    50  -0.11600  1.0 1.0
   39    43    49    50  -0.09450 -1.0 2.0
   39    43    49    50   0.21250  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   40    39    43    49   0.23400  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    46  -0.95700  1.0 1.0
   41    39    43    46  -0.18200 -1.0 2.0
   41    39    43    46   0.29450  1.0 3.0
   41    39    43    49  -0.09450  1.0 1.0
   41    39    43    49  -1.12950 -1.0 2.0
   41    39    43    49   0.54000  1.0 3.0
   41    45    51    52   0.08050  1.0 3.0
   41    45    51    55  -0.25900  1.0 1.0
   41    45    51    55  -0.47000 -1.0 2.0
   41    45    51    55   0.11750  1.0 3.0
   41    45    51    58  -0.25900  1.0 1.0
   41    45    51    58  -0.47000 -1.0 2.0
   41    45    51    58   0.11750  1.0 3.0
   42    41    45    51   3.00000 -1.0 2.0
   45    51    55    56   0.23400  1.0 3.0
   45    51    55    57   0.23400  1.0 3.0
   45    51    55    60   0.61850  1.0 1.0
   45    51    55    60  -0.22750 -1.0 2.0
   45    51    55    60   0.15300  1.0 3.0
   45    51    58    86   0.62750  1.0 1.0
   45    51    58    86  -0.30950 -1.0 2.0
   45    51    58    86   0.27300  1.0 3.0
   45    51    58    59   0.23400  1.0 3.0
   45    51    58    61   0.61850  1.0 1.0
   45    51    58    61  -0.22750 -1.0 2.0
   45    51    58    61   0.15300  1.0 3.0
   51    55    60    62   0.09850  1.0 1.0
   51    55    60    62   0.15250 -1.0 2.0
   51    55    60    62  -0.50650  1.0 3.0
   51    55    60    69   0.46850  1.0 1.0
   51    55    60    69   0.08550 -1.0 2.0
   51    55    60    69   0.09800  1.0 3.0
   51    58    61    64   0.09700  1.0 1.0
   51    58    61    64   0.15600 -1.0 2.0
   51    58    61    64  -0.50800  1.0 3.0
   51    58    61    66   0.09850  1.0 1.0
   51    58    61    66   0.15250 -1.0 2.0
   51    58    61    66  -0.50650  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    60   0.15000  1.0 3.0
   52    51    58    86   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   55    51    58    86   0.56750  1.0 1.0
   55    51    58    86  -0.07550 -1.0 2.0
   55    51    58    86   0.20000  1.0 3.0
   55    51    58    59   0.15000  1.0 3.0
   55    51    58    61   0.34400  1.0 1.0
   55    51    58    61   0.09450 -1.0 2.0
   55    51    58    61   0.11100  1.0 3.0
   55    60    62    63   7.00000 -1.0 2.0
   55    60    62    73   7.00000 -1.0 2.0
   55    60    69    70   0.34800  1.0 3.0
   55    60    69    71   0.34800  1.0 3.0
   55    60    69    72   0.34800  1.0 3.0
   56    55    60    62   0.00000  1.0 1.0
   56    55    60    69   0.34800  1.0 3.0
   57    55    60    62   0.00000  1.0 1.0
   57    55    60    69   0.34800  1.0 3.0
   60    62    73    74   0.00000  1.0 1.0
   60    62    73    75   0.00000  1.0 1.0
   60    62    73    77   0.09850  1.0 1.0
   60    62    73    77   0.15250 -1.0 2.0
   60    62    73    77  -0.50650  1.0 3.0
   62    60    69    70   0.00000  1.0 1.0
   62    60    69    71   0.00000  1.0 1.0
   62    60    69    72   0.00000  1.0 1.0
   62    73    77    78   0.15000  1.0 3.0
   62    73    77    79   0.15000  1.0 3.0
   62    73    77    80   0.31000  1.0 1.0
   62    73    77    80   0.14700 -1.0 2.0
   62    73    77    80   0.07550  1.0 3.0
   63    62    73    74   0.33100  1.0 3.0
   63    62    73    75   0.33100  1.0 3.0
   63    62    73    77   0.00000  1.0 1.0
   73    77    80    81   0.09850  1.0 1.0
   73    77    80    81   0.15250 -1.0 2.0
   73    77    80    81  -0.50650  1.0 3.0
   73    77    80    83   0.46850  1.0 1.0
   73    77    80    83   0.08550 -1.0 2.0
   73    77    80    83   0.09800  1.0 3.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    79   0.15000  1.0 3.0
   74    73    77    80   0.15000  1.0 3.0
   75    73    77    78   0.15000  1.0 3.0
   75    73    77    79   0.15000  1.0 3.0
   75    73    77    80   0.15000  1.0 3.0
   77    80    81    82   7.00000 -1.0 2.0
   77    80    81    86   7.00000 -1.0 2.0
   77    80    83    84   0.34800  1.0 3.0
   77    80    83    85   0.34800  1.0 3.0
   77    80    83    88   0.18000  1.0 1.0
   77    80    83    88   0.16450 -1.0 2.0
   77    80    83    88   0.04450  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    83   0.34800  1.0 3.0
   79    77    80    81   0.00000  1.0 1.0
   79    77    80    83   0.34800  1.0 3.0
   80    81    86    87   0.00000  1.0 1.0
   80    81    86    58   0.09850  1.0 1.0
   80    81    86    58   0.15250 -1.0 2.0
   80    81    86    58  -0.50650  1.0 3.0
   80    81    86    76   0.39000  1.0 1.0
   80    81    86    76  -0.05800 -1.0 2.0
   80    81    86    76  -0.55150  1.0 3.0
   80    83    88    89  -0.07800  1.0 1.0
   80    83    88    89  -0.21500 -1.0 2.0
   80    83    88    89  -0.03150  1.0 3.0
   81    80    83    84   0.00000  1.0 1.0
   81    80    83    85   0.00000  1.0 1.0
   81    80    83    88   0.67800  1.0 1.0
   81    80    83    88   0.47050 -1.0 2.0
   81    80    83    88  -0.62500  1.0 3.0
   81    86    58    51   0.34400  1.0 1.0
   81    86    58    51   0.09450 -1.0 2.0
   81    86    58    51   0.11100  1.0 3.0
   81    86    58    59   0.15000  1.0 3.0
   81    86    58    61   0.31000  1.0 1.0
   81    86    58    61   0.14700 -1.0 2.0
   81    86    58    61   0.07550  1.0 3.0
   81    86    76    64  -0.82050  1.0 1.0
   81    86    76    64   0.00600 -1.0 2.0
   81    86    76    64   0.04400  1.0 3.0
   82    81    86    87   0.33100  1.0 3.0
   82    81    86    58   0.00000  1.0 1.0
   82    81    86    76   0.00000  1.0 1.0
   86    58   -61    64   0.09700  1.0 1.0
   86    58   -61    64   0.15600 -1.0 2.0
   86    58   -61    64  -0.50800  1.0 3.0
   86    58    61    66   0.09850  1.0 1.0
   86    58    61    66   0.15250 -1.0 2.0
   86    58    61    66  -0.50650  1.0 3.0
   87    86    58    51   0.15000  1.0 3.0
   87    86    58    59   0.15000  1.0 3.0
   87    86    58    61   0.15000  1.0 3.0
   87    86    76    64   0.08050  1.0 3.0
   58    51    55    56   0.15000  1.0 3.0
   58    51    55    57   0.15000  1.0 3.0
   58    51    55    60   0.34400  1.0 1.0
   58    51    55    60   0.09450 -1.0 2.0
   58    51    55    60   0.11100  1.0 3.0
   58    86   -76    64  -0.25900  1.0 1.0
   58    86   -76    64  -0.47000 -1.0 2.0
   58    86   -76    64   0.11750  1.0 3.0
   58    61    64    65  -0.64400  1.0 1.0
   58    61    64    65   0.26850 -1.0 2.0
   58    61   -64    76  -0.15000  1.0 1.0
   58    61   -64    76   0.89550 -1.0 2.0
   58    61   -64    76  -0.06900  1.0 3.0
   58    61    66    67   7.00000 -1.0 2.0
   58    61    66    68   7.00000 -1.0 2.0
   59    58    61    64   0.15000  1.0 3.0
   59    58    61    66   0.00000  1.0 1.0
   61    64   -76    86   2.00000 -1.0 2.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   65    64    76    86   3.00000 -1.0 2.0
   76    86    58    51   0.62750  1.0 1.0
   76    86    58    51  -0.30950 -1.0 2.0
   76    86    58    51   0.27300  1.0 3.0
   76    86    58    59   0.23400  1.0 3.0
   76    86   -58    61   0.61850  1.0 1.0
   76    86   -58    61  -0.22750 -1.0 2.0
   76    86   -58    61   0.15300  1.0 3.0
   66    61    64    65   1.00000 -1.0 2.0
   66    61    64    76  -0.56150  1.0 1.0
   66    61    64    76   2.19150 -1.0 2.0
   83    80    81    82   7.00000 -1.0 2.0
   83    80    81    86   7.00000 -1.0 2.0
   84    83    88    89   0.19450  1.0 3.0
   85    83    88    89   0.19450  1.0 3.0
   69    60    62    63   7.00000 -1.0 2.0
   69    60    62    73   7.00000 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    45   0.36750  1.0 3.0
   43    46    53    54  -0.11600  1.0 1.0
   43    46    53    54  -0.09450 -1.0 2.0
   43    46    53    54   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    53   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   46    43    49    50  -0.11600  1.0 1.0
   46    43    49    50  -0.09450 -1.0 2.0
   46    43    49    50   0.21250  1.0 3.0
   47    46    53    54   0.19450  1.0 3.0
   48    46    53    54   0.19450  1.0 3.0
   49    43    46    47   0.23400  1.0 3.0
   49    43    46    48   0.23400  1.0 3.0
   49    43    46    53   3.75450  1.0 1.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    45    41    42  10.50000 -1.0 2.0
   55    69    60    62   1.10000 -1.0 2.0
   73    63    62    60   1.10000 -1.0 2.0
   77    83    80    81   1.10000 -1.0 2.0
   86    82    81    80   1.10000 -1.0 2.0
   58    64    61    66   1.10000 -1.0 2.0
   61    76    64    65  10.50000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
END
