* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    167    255     484
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02096   103.82573     8.44936
    3     1 S   H    _H1_     3     1.02066    43.12063   111.12389
    4     1 S   H    _H2_     4     1.02098    70.17316   -96.75177
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C19    36     1.83160    97.83922   -79.98169
   34    33 S   HC   _H9_    37     1.09665   105.81184    44.93083
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C20    38     1.52818   108.64013   159.97382
   39    38 S   HC   _H25    39     1.09628   110.46673    65.94460
   40    38 S   HC   _H26    40     1.09527   112.39550   -54.39135
   41    38 S   HC   _H27    41     1.09670   111.09250  -175.35755
   42    33 S   CT   _C17    42     1.54561   114.14181   -73.42175
   43    42 S   HC   _H8_    43     1.09947   107.86489    58.91902
   44    42 S   CO4  _C16    44     1.52448   113.26048   177.25156
   45    44 S   O    _O36    45     1.22413   124.62693    91.20329
   46    42 S   CT   _C18    85     1.53183   113.06751   -57.51219
   47    46 S   HC   _H22    86     1.09480   110.86431   -62.19741
   48    46 S   HC   _H23    87     1.09436   112.36145   176.44774
   49    46 S   HC   _H24    88     1.09662   110.31322    57.12401
   50    44 S   OS   _O35    46     1.36805   109.84342   -88.45989
   51    50 S   CT   _C9_    47     1.42565   115.69154   179.66898
   52    51 S   HC   _H5_    48     1.11284   105.49250    29.99644
   53    51 S   CT   _C10    49     1.53873   110.45743   -83.33763
   54    53 S   HC   _H14    50     1.09778   108.95438    50.15452
   55    53 S   HC   _H15    51     1.09844   108.09060   165.37794
   56    51 S   CT   _C8_    65     1.54732   112.32186   147.53347
   57    56 S   HC   _H4_    66     1.09797   108.42791   168.24243
   58    53 S   C3T  _C11    52     1.49977   115.38791   -71.77856
   59    56 S   CM   _C21    67     1.49518   111.34439   -71.09664
   60    58 S   C3T  _C12    53     1.51143   121.50473   -93.04511
   61    60 S   HC   _H6_    54     1.08172   119.35123     6.86519
   62    59 S   CO4  _C23    68     1.47230   110.08812   105.33570
   63    62 S   O    _O37    69     1.21783   127.12719  -171.31714
   64    59 S   CM   _C22    71     1.33570   128.03152   -77.16649
   65    64 S   HC   _H28    72     1.08390   120.65693     2.74851
   66    64 S   HC   _H29    73     1.08354   120.73370  -177.32629
   67    58 S   CT   _C15    81     1.49275   115.64383    72.95046
   68    67 S   HC   _H19    82     1.10087   111.48197  -179.98022
   69    67 S   HC   _H20    83     1.10035   111.48653    59.97186
   70    67 S   HC   _H21    84     1.10093   111.47306   -60.02849
   71    60 S   CT   _C13    55     1.49961   122.84605   161.68471
   72    71 S   HC   _H16    56     1.09706   107.38826   162.84275
   73    71 S   HC   _H17    57     1.09715   110.02980    47.22656
   74    87 S   OS   _O38    70     1.44488   108.49740   127.91961
   75    58 S   O3T  _O33    80     1.43689   113.00919  -158.69501
   76    71 S   CT   _C14    58     1.53755   114.54542   -76.02872
   77    76 S   HC   _H7_    59     1.09211   107.08946  -169.91660
   78    76 S   CM   _C5_    60     1.51986   114.87355   -50.17515
   79    76 S   OH   _O34    78     1.42464   110.38680    77.43424
   80    79 S   HO   _H18    79     0.97027   106.69975    50.77351
   81    78 S   CM   _C6_    61     1.34945   126.99352    89.76106
   82    81 S   HC   _H13    62     1.09036   117.42049   179.70459
   83    78 S   CT   _C4_    74     1.50991   113.86087   -89.93541
   84    83 S   HC   _H10    75     1.08383   108.97383   -90.29171
   85    83 S   HC   _H11    76     1.08418   108.99994   149.57832
   86    83 S   HC   _H12    77     1.08477   108.96621    29.91550
   87    81 S   CT   _C7_    63     1.50802   128.44089    -3.05614
   88    87 S   HC   _H3_    64     1.08563   111.62031    11.96950
  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   7   3   2   1   9   7  10   3   4   2   1
   1  10  17   8  15   6   5  14   7  11   9  13   6   8   3   4
   1   1   5   3   2   1  10   6   5   5   1  11   5  10   3   1
   7   3   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    56    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    58    87    56    57    59  
   52    53    54    55    58    60    81    87    88    56    57    59    62    74    64    75    67  
   53    54    55    58    87    56    57    59  
   54    55    58    60    61    71    87    56    57    59    75    67    68    69    70  
   55    58    60    56    75    67  
   58    60    56    75    67  
   57    59    62    63    74    64    65    66    58    78    81    82    87    88  
   59    62    74    64    81    87    88  
   60    61    71    72    73    76    75    67    68    69    70  
   62    63    74    64    65    66    81    87    88  
   61    71    72    73    76    77    78    79    75    67    68    69    70  
   71    72    73    76    75    67  
   63    74    64    65    66    81    87    88  
   74    64    87  
   65    66    74    87  
   66  
    0  
   68    69    70    71    75  
   69    70    75  
   70    75  
   75  
   72    73    76    77    78    81    83    79    80    75  
   73    76    77    78    79    75  
   76    77    78    79    75  
   78    81    82    87    88  
   76  
   77    78    81    82    87    83    84    85    86    79    80  
   78    81    83    79    80  
   81    82    87    88    83    84    85    86    79    80  
   80    81    83  
    0  
   82    87    88    83    84    85    86  
   87    88    83  
   84    85    86    87  
   85    86  
   86  
    0  
   88  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.180000   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
   87   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   275.000  1.510
   58    60   260.000  1.509
   58    75   335.000  1.432
   58    67   275.000  1.510
   60    61   340.000  1.088
   60    71   275.000  1.510
   60    75   335.000  1.432
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   317.000  1.510
   76    79   320.000  1.410
   78    81   549.000  1.340
   78    83   317.000  1.510
   81    82   340.000  1.080
   81    87   317.000  1.510
   87    88   340.000  1.090
   87    56   268.000  1.529
   87    74   320.000  1.410
   56    57   340.000  1.090
   56    59   317.000  1.510
   59    62   320.000  1.462
   59    64   549.000  1.340
   62    63   570.000  1.229
   62    74   214.000  1.327
   64    65   340.000  1.080
   64    66   340.000  1.080
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   79    80   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    70.00000  112.37300
   51    56    87    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    59    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    58    60    60.00000  120.94000
   53    58    75    80.00000  116.47100
   53    58    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    45.00000  109.38400
   58    53    55    45.00000  109.38400
   58    60    61    37.50000  117.20000
   58    60    71    60.00000  120.94000
   58    60    75    15.00000   60.43100
   58    75    60    15.00000   59.14900
   58    67    68    45.00000  109.38400
   58    67    69    45.00000  109.38400
   58    67    70    45.00000  109.38400
   60    71    72    45.00000  109.38400
   60    71    73    45.00000  109.38400
   60    71    76    70.00000  112.37300
   71    60    61    40.00000  115.04500
   71    76    77    37.50000  110.70000
   71    76    78    70.00000  112.02700
   71    76    79    50.00000  109.50000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    78    81    70.00000  124.00000
   76    78    83    65.00000  117.92700
   76    79    80    55.00000  108.50000
   78    76    77    35.00000  109.50000
   78    81    82    35.00000  120.00000
   78    81    87    70.00000  124.00000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   81    87    88    35.00000  109.50000
   81    87    56    70.00000  112.02700
   81    87    74    85.00000  110.90400
   87    81    82    35.00000  117.00000
   87    56    57    37.50000  110.70000
   87    56    59    70.00000  112.02700
   87    74    62    83.00000  116.90000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    87    88    37.50000  110.70000
   56    59    62    65.00000  116.34900
   56    59    64    70.00000  124.00000
   59    56    57    35.00000  109.50000
   59    62    63    80.00000  123.72100
   59    62    74    90.00000  111.29400
   59    64    65    35.00000  120.00000
   59    64    66    35.00000  120.00000
   74    87    88    35.00000  109.50000
   74    87    56    50.00000  109.50000
   74    62    63    83.00000  123.40000
   64    59    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   83    78    81    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
   79    76    77    35.00000  109.50000
   79    76    78    90.00000  110.39200
   75    58    60    15.00000   60.43100
   75    60    61    50.00000  114.27700
   75    60    71    80.00000  116.47100
   67    58    60    60.00000  120.94000
   67    58    75    80.00000  116.47100
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.25900  1.0 1.0
   44    50    51    53  -0.47000 -1.0 2.0
   44    50    51    53   0.11750  1.0 3.0
   44    50    51    56  -0.25900  1.0 1.0
   44    50    51    56  -0.47000 -1.0 2.0
   44    50    51    56   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    58  -0.26800  1.0 1.0
   50    51    53    58   0.69150 -1.0 2.0
   50    51    53    58  -0.48750  1.0 3.0
   50    51    56    87   0.62750  1.0 1.0
   50    51    56    87  -0.30950 -1.0 2.0
   50    51    56    87   0.27300  1.0 3.0
   50    51    56    57   0.23400  1.0 3.0
   50    51    56    59   0.61850  1.0 1.0
   50    51    56    59  -0.22750 -1.0 2.0
   50    51    56    59   0.15300  1.0 3.0
   51    53    58    60   0.07850  1.0 1.0
   51    53    58    60  -0.03950 -1.0 2.0
   51    53    58    60   0.67350  1.0 3.0
   51    53    58    75   0.02550  1.0 1.0
   51    53    58    75  -0.02600 -1.0 2.0
   51    53    58    75   1.20400  1.0 3.0
   51    53    58    67   0.56750  1.0 1.0
   51    53    58    67  -0.07550 -1.0 2.0
   51    53    58    67   0.20000  1.0 3.0
   51    56    59    62   0.09700  1.0 1.0
   51    56    59    62   0.15600 -1.0 2.0
   51    56    59    62  -0.50800  1.0 3.0
   51    56    59    64   0.09850  1.0 1.0
   51    56    59    64   0.15250 -1.0 2.0
   51    56    59    64  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    87   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    87   0.56750  1.0 1.0
   53    51    56    87  -0.07550 -1.0 2.0
   53    51    56    87   0.20000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    59   0.34400  1.0 1.0
   53    51    56    59   0.09450 -1.0 2.0
   53    51    56    59   0.11100  1.0 3.0
   53    58    60    61   0.15000  1.0 3.0
   53    58    60    71   0.56750  1.0 1.0
   53    58    60    71  -0.07550 -1.0 2.0
   53    58    60    71   0.20000  1.0 3.0
   53    58   -60    75   0.02550  1.0 1.0
   53    58   -60    75  -0.02600 -1.0 2.0
   53    58   -60    75   1.20400  1.0 3.0
   53    58   -75    60   0.06250  1.0 1.0
   53    58   -75    60  -0.01100 -1.0 2.0
   53    58   -75    60   0.28050  1.0 3.0
   53    58    67    68   0.15000  1.0 3.0
   53    58    67    69   0.15000  1.0 3.0
   53    58    67    70   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    75   0.23400  1.0 3.0
   54    53    58    67   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    75   0.23400  1.0 3.0
   55    53    58    67   0.15000  1.0 3.0
   58    60    71    72   0.15000  1.0 3.0
   58    60    71    73   0.15000  1.0 3.0
   58    60    71    76   0.07850  1.0 1.0
   58    60    71    76  -0.03950 -1.0 2.0
   58    60    71    76   0.67350  1.0 3.0
   60    58    67    68   0.15000  1.0 3.0
   60    58    67    69   0.15000  1.0 3.0
   60    58    67    70   0.15000  1.0 3.0
   60    71    76    77   0.15000  1.0 3.0
   60    71    76    78   0.34400  1.0 1.0
   60    71    76    78   0.09450 -1.0 2.0
   60    71    76    78   0.11100  1.0 3.0
   60    71    76    79   0.86500  1.0 1.0
   60    71    76    79  -0.17500 -1.0 2.0
   60    71    76    79   0.20800  1.0 3.0
   61    60    71    72   0.15000  1.0 3.0
   61    60    71    73   0.15000  1.0 3.0
   61    60    71    76   0.15000  1.0 3.0
   61    60   -75    58   0.36800  1.0 3.0
   71    60   -75    58   0.06250  1.0 1.0
   71    60   -75    58  -0.01100 -1.0 2.0
   71    60   -75    58   0.28050  1.0 3.0
   71    76    78    81   0.09850  1.0 1.0
   71    76    78    81   0.15250 -1.0 2.0
   71    76    78    81  -0.50650  1.0 3.0
   71    76    78    83   0.46850  1.0 1.0
   71    76    78    83   0.08550 -1.0 2.0
   71    76    78    83   0.09800  1.0 3.0
   71    76    79    80  -0.11600  1.0 1.0
   71    76    79    80  -0.09450 -1.0 2.0
   71    76    79    80   0.21250  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.23400  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    78   0.15000  1.0 3.0
   73    71    76    79   0.23400  1.0 3.0
   76    78    81    82   7.00000 -1.0 2.0
   76    78    81    87   7.00000 -1.0 2.0
   76    78    83    84   0.34800  1.0 3.0
   76    78    83    85   0.34800  1.0 3.0
   76    78    83    86   0.34800  1.0 3.0
   77    76    78    81   0.00000  1.0 1.0
   77    76    78    83   0.34800  1.0 3.0
   77    76    79    80   0.19450  1.0 3.0
   78    76    79    80  -0.07800  1.0 1.0
   78    76    79    80  -0.21500 -1.0 2.0
   78    76    79    80  -0.03150  1.0 3.0
   78    81    87    88   0.00000  1.0 1.0
   78    81    87    56   0.09850  1.0 1.0
   78    81    87    56   0.15250 -1.0 2.0
   78    81    87    56  -0.50650  1.0 3.0
   78    81    87    74   0.39000  1.0 1.0
   78    81    87    74  -0.05800 -1.0 2.0
   78    81    87    74  -0.55150  1.0 3.0
   81    78    83    84   0.00000  1.0 1.0
   81    78    83    85   0.00000  1.0 1.0
   81    78    83    86   0.00000  1.0 1.0
   81    87    56    51   0.34400  1.0 1.0
   81    87    56    51   0.09450 -1.0 2.0
   81    87    56    51   0.11100  1.0 3.0
   81    87    56    57   0.15000  1.0 3.0
   81    87    56    59   0.31000  1.0 1.0
   81    87    56    59   0.14700 -1.0 2.0
   81    87    56    59   0.07550  1.0 3.0
   81    87    74    62  -0.82050  1.0 1.0
   81    87    74    62   0.00600 -1.0 2.0
   81    87    74    62   0.04400  1.0 3.0
   82    81    87    88   0.33100  1.0 3.0
   82    81    87    56   0.00000  1.0 1.0
   82    81    87    74   0.00000  1.0 1.0
   87    56   -59    62   0.09700  1.0 1.0
   87    56   -59    62   0.15600 -1.0 2.0
   87    56   -59    62  -0.50800  1.0 3.0
   87    56    59    64   0.09850  1.0 1.0
   87    56    59    64   0.15250 -1.0 2.0
   87    56    59    64  -0.50650  1.0 3.0
   88    87    56    51   0.15000  1.0 3.0
   88    87    56    57   0.15000  1.0 3.0
   88    87    56    59   0.15000  1.0 3.0
   88    87    74    62   0.08050  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    58   0.47050  1.0 1.0
   56    51    53    58   0.03900 -1.0 2.0
   56    51    53    58   0.20100  1.0 3.0
   56    87   -74    62  -0.25900  1.0 1.0
   56    87   -74    62  -0.47000 -1.0 2.0
   56    87   -74    62   0.11750  1.0 3.0
   56    59    62    63  -0.64400  1.0 1.0
   56    59    62    63   0.26850 -1.0 2.0
   56    59   -62    74  -0.15000  1.0 1.0
   56    59   -62    74   0.89550 -1.0 2.0
   56    59   -62    74  -0.06900  1.0 3.0
   56    59    64    65   7.00000 -1.0 2.0
   56    59    64    66   7.00000 -1.0 2.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    59    64   0.00000  1.0 1.0
   59    62   -74    87   2.00000 -1.0 2.0
   62    59    64    65   7.00000 -1.0 2.0
   62    59    64    66   7.00000 -1.0 2.0
   63    62    74    87   3.00000 -1.0 2.0
   74    87    56    51   0.62750  1.0 1.0
   74    87    56    51  -0.30950 -1.0 2.0
   74    87    56    51   0.27300  1.0 3.0
   74    87    56    57   0.23400  1.0 3.0
   74    87   -56    59   0.61850  1.0 1.0
   74    87   -56    59  -0.22750 -1.0 2.0
   74    87   -56    59   0.15300  1.0 3.0
   64    59    62    63   1.00000 -1.0 2.0
   64    59    62    74  -0.56150  1.0 1.0
   64    59    62    74   2.19150 -1.0 2.0
   83    78    81    82   7.00000 -1.0 2.0
   83    78    81    87   7.00000 -1.0 2.0
   79    76    78    81   0.67800  1.0 1.0
   79    76    78    81   0.47050 -1.0 2.0
   79    76    78    81  -0.62500  1.0 3.0
   79    76    78    83   0.18000  1.0 1.0
   79    76    78    83   0.16450 -1.0 2.0
   79    76    78    83   0.04450  1.0 3.0
   75    58   -60    61   0.23400  1.0 3.0
   75    58   -60    71   0.02550  1.0 1.0
   75    58   -60    71  -0.02600 -1.0 2.0
   75    58   -60    71   1.20400  1.0 3.0
   75    58    67    68   0.23400  1.0 3.0
   75    58    67    69   0.23400  1.0 3.0
   75    58    67    70   0.23400  1.0 3.0
   75    60    71    72   0.23400  1.0 3.0
   75    60    71    73   0.23400  1.0 3.0
   75    60    71    76   0.02550  1.0 1.0
   75    60    71    76  -0.02600 -1.0 2.0
   75    60    71    76   1.20400  1.0 3.0
   67    58    60    61   0.15000  1.0 3.0
   67    58    60    71   0.56750  1.0 1.0
   67    58    60    71  -0.07550 -1.0 2.0
   67    58    60    71   0.20000  1.0 3.0
   67    58   -60    75   0.02550  1.0 1.0
   67    58   -60    75  -0.02600 -1.0 2.0
   67    58   -60    75   1.20400  1.0 3.0
   67    58   -75    60   0.06250  1.0 1.0
   67    58   -75    60  -0.01100 -1.0 2.0
   67    58   -75    60   0.28050  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   76    83    78    81   1.10000 -1.0 2.0
   87    82    81    78   1.10000 -1.0 2.0
   56    62    59    64   1.10000 -1.0 2.0
   59    74    62    63  10.50000 -1.0 2.0
   65    66    64    59   1.10000 -1.0 2.0
END
