* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    164    250     486
    1     0 S   NP   _N1_     1    28.73825    95.85736   -23.12759
    2     1 S   H    _HN1     2     1.02831    37.56160   172.19951
    3     1 S   H    _H1_     3     1.02783    99.34172   -80.55312
    4     1 S   H    _H2_     4     1.02952    75.65454    26.13799
    5     1 S   CT   _CA1     5     1.50102   142.83665   131.12678
    6     5 S   HC   _HA1     6     1.09573   105.22115    84.56874
    7     5 S   CO3  _C1_     7     1.53798   112.43330   -35.68908
    8     7 S   O2Z  _O11     8     1.26368   115.01033   -43.29547
    9     7 S   O2Z  _O12     9     1.26239   114.94114   135.88845
   10     5 S   CT   _CB1    10     1.53087   107.43329  -157.45459
   11    10 S   HC   HB11    11     1.09828   109.39886   -50.07508
   12    10 S   HC   HB12    12     1.09815   110.43084    66.53453
   13    10 S   CT   _CG1    13     1.52975   112.58573  -171.08981
   14    13 S   HC   HG11    14     1.09593   110.55373   -64.33120
   15    13 S   HC   HG12    15     1.09666   109.87154    54.88998
   16    13 S   C    _CD1    16     1.51791   112.32459   175.33221
   17    16 S   O    _OE1    17     1.22718   123.33661     2.86006
   18    16 S   N    _N2_    18     1.38634   111.57192  -177.21807
   19    18 S   H    _HN2    19     1.01573   118.93078     1.93462
   20    18 S   CT1  _CA2    20     1.46204   123.43111   178.70442
   21    20 S   HC   _HA2    21     1.09729   109.43487    -1.38748
   22    20 S   C    _C2_    22     1.53479   108.57392  -116.98722
   23    22 S   O    _O2_    23     1.23051   122.27597  -148.49889
   24    20 S   CT   _CB2    32     1.53399   111.37841   120.71292
   25    24 S   HC   HB21    33     1.09407   109.50498    56.73798
   26    24 S   HC   HB22    34     1.09458   109.97624   175.41593
   27    22 S   N    _N3_    24     1.38323   113.65705    38.91245
   28    27 S   H    _HN3    25     1.01610   119.55760    -3.30920
   29    24 S   S    _SG2    35     1.83005   111.18070   -65.37142
   30    27 S   CT   _CA3    26     1.45285   123.16950   177.15814
   31    30 S   HC   HA31    27     1.09550   107.50476   -64.86235
   32    30 S   HC   HA32    28     1.09559   107.98645    51.56920
   33    29 S   CT   _C12    36     1.86927   101.73952   160.60958
   34    30 S   CO3  _C3_    29     1.52946   114.10218   173.59375
   35    34 S   O2Z  _O31    30     1.26371   116.06462     0.04846
   36    34 S   O2Z  _O32    31     1.26428   114.40975  -179.89347
   37    33 S   CT   _C13    37     1.54609   111.14562    57.95951
   38    37 S   HC   _H18    38     1.09350   114.72716   -48.27430
   39    37 S   HC   _H19    39     1.09929   110.08293  -168.20565
   40    33 S   CM   _C11    66     1.51770   107.18587   -70.19987
   41    40 S   HC   _H17    67     1.08988   115.75438   -64.89878
   42    37 S   CT   _C14    40     1.52577   105.73739    75.40785
   43    42 S   HC   _H20    41     1.09316   112.03222   -85.07835
   44    42 S   HC   _H21    42     1.09232   111.61329   150.19990
   45    40 S   CM   _C10    68     1.34293   126.86682   115.79292
   46    45 S   HC   _H16    69     1.08645   120.27467    -1.25226
   47    42 S   CO4  _C15    43     1.50661   101.71665    31.74095
   48    47 S   O    _O33    44     1.22474   123.10310   170.86111
   49    45 S   CT   _C9_    70     1.50308   123.52144   179.20648
   50    49 S   HC   _H3_    71     1.09641   111.28544     2.19401
   51    33 S   CT   _C16    45     1.56399   111.41211   169.87583
   52    51 S   HC   _H4_    46     1.10064   108.34940   166.11633
   53    49 S   CT   _C8_    72     1.53281   110.82112  -120.07551
   54    53 S   HC   _H14    73     1.09801   109.75769   -62.63115
   55    53 S   HC   _H15    74     1.09723   109.78720    55.22952
   56    49 S   OH   _O36    88     1.42583   108.19231   120.37057
   57    56 S   HO   _H32    89     0.97244   107.38737   -61.85560
   58    51 S   CT   _C17    47     1.53459   117.24941    40.96231
   59    58 S   HC   _H22    48     1.09369   110.90103    35.57534
   60    58 S   HC   _H23    49     1.09740   110.98758   -81.95404
   61    53 S   CT   _C7_    75     1.53273   111.99894   176.86743
   62    61 S   HC   _H12    76     1.09659   109.41762   -58.32435
   63    61 S   HC   _H13    77     1.09645   109.99807    59.09234
   64    58 S   CM   _C18    50     1.50497   111.52600   158.28963
   65    64 S   HC   _H24    51     1.08869   115.70452    83.28513
   66    61 S   CT   _C6_    78     1.52986   111.26634  -179.66254
   67    66 S   HC   _H10    79     1.09685   109.52665   -60.26666
   68    66 S   HC   _H11    80     1.09629   109.72380    56.93829
   69    64 S   CM   _C19    52     1.34236   126.80233   -96.02252
   70    69 S   HC   _H25    53     1.08887   117.32608   179.47661
   71    66 S   CT   _C5_    81     1.52826   111.32065   178.37900
   72    71 S   HC   _H8_    82     1.09618   109.89025   -58.41694
   73    71 S   HC   _H9_    83     1.09619   109.86149    59.31998
   74    69 S   CT   _C20    54     1.50230   127.27074     0.28531
   75    74 S   HC   _H26    55     1.09687   108.15428  -130.97964
   76    74 S   HC   _H27    56     1.09386   111.92586   -14.35971
   77    71 S   CT   _C4_    84     1.52026   111.47140  -179.51261
   78    77 S   HC   _H5_    85     1.09467   111.00550   -60.20888
   79    77 S   HC   _H6_    86     1.09472   110.98529    60.30972
   80    77 S   HC   _H7_    87     1.09448   110.26317  -179.96574
   81    74 S   CT   _C21    57     1.53001   111.16185   108.36992
   82    81 S   HC   _H28    58     1.09760   109.82762    57.79543
   83    81 S   HC   _H29    59     1.09772   109.66738   -59.22587
   84    81 S   CT   _C22    60     1.52586   111.33876   179.38962
   85    84 S   HC   _H30    61     1.09708   109.57757    61.22930
   86    84 S   HC   _H31    62     1.09717   109.38718   -56.18481
   87    84 S   CO3  _C23    63     1.53151   115.01573  -177.57376
   88    87 S   O2Z  _O35    64     1.26503   114.07459   171.00230
   89    87 S   O2Z  _O34    65     1.26132   116.62544    -9.29411
  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  12   5   4   3
  19   2   1   1  13   7   6  12   4   7   4   3  10   4   7   3
  10   6   7   4  11   6   5   2   1   7   4   3   9   5   4   7
   3   9   5   4   8   4   6   5   4   9   5   4   3   2   1   1
   8   5   4   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    47    51    52    58    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    44    47    48    51    52    58    59    60    64    40    41    45    46    49  
   35    36  
   36  
    0  
   38    39    42    43    44    47    48    51    52    58    40    41    45  
   39    42    43    44    47    51    40  
   42    43    44    47    51    40  
   41    45    46    49    50    53    56    42    47    51    52    58  
   45    46    49    51  
   43    44    47    48    51    52    58  
   44    47    48    51  
   47    48    51  
   46    49    50    53    54    55    61    56    57    51  
   49    50    53    56  
   48    51    52    58    59    60    64  
   51    52    58  
   50    53    54    55    61    62    63    66    56    57  
   53    54    55    61    56    57  
   52    58    59    60    64    65    69  
   58    59    60    64  
   54    55    61    62    63    66    67    68    71    56    57  
   55    61    62    63    66    56  
   61    62    63    66    56  
   57    61  
    0  
   59    60    64    65    69    70    74  
   60    64    65    69  
   64    65    69  
   62    63    66    67    68    71    72    73    77  
   63    66    67    68    71  
   66    67    68    71  
   65    69    70    74    75    76    81  
   69    70    74  
   67    68    71    72    73    77    78    79    80  
   68    71    72    73    77  
   71    72    73    77  
   70    74    75    76    81    82    83    84  
   74    75    76    81  
   72    73    77    78    79    80  
   73    77    78    79    80  
   77    78    79    80  
   75    76    81    82    83    84    85    86    87  
   76    81    82    83    84  
   81    82    83    84  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    51   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   317.000  1.522
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.510
   64    65   340.000  1.080
   64    69   549.000  1.340
   69    70   340.000  1.080
   69    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   317.000  1.522
   87    88   656.000  1.250
   87    89   656.000  1.250
   40    41   340.000  1.080
   40    45   549.000  1.340
   45    46   340.000  1.080
   45    49   317.000  1.510
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   56    57   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    51    47    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    58    58.35000  112.70000
   33    40    41    35.00000  117.00000
   33    40    45    70.00000  124.00000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    47    63.00000  111.10000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    47    48    80.00000  120.40000
   42    47    51    70.00000  116.00000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    35.00000  109.50000
   47    51    52    35.00000  109.50000
   47    51    58    63.00000  111.10000
   51    33    37    58.35000  112.70000
   51    47    48    80.00000  120.40000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    64    70.00000  112.02700
   58    51    52    37.50000  110.70000
   58    64    65    35.00000  117.00000
   58    64    69    70.00000  124.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    69    70    35.00000  120.00000
   64    69    74    70.00000  124.00000
   69    64    65    35.00000  120.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    81    70.00000  112.02700
   74    69    70    35.00000  117.00000
   74    81    82    37.50000  110.70000
   74    81    83    37.50000  110.70000
   74    81    84    58.35000  112.70000
   76    74    75    33.00000  107.80000
   81    74    75    37.50000  110.70000
   81    74    76    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    70.00000  109.69300
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    70.00000  117.00000
   84    87    89    70.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   89    87    88    80.00000  126.00000
   40    33    37    70.00000  112.02700
   40    33    51    70.00000  112.02700
   40    45    46    35.00000  120.00000
   40    45    49    70.00000  124.00000
   45    40    41    35.00000  120.00000
   45    49    50    35.00000  109.50000
   45    49    53    70.00000  112.02700
   45    49    56    90.00000  110.39200
   49    45    46    35.00000  117.00000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    61    58.35000  112.70000
   49    56    57    55.00000  108.50000
   53    49    50    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    66    58.35000  112.70000
   55    53    54    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    55    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    71    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    77    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    80    37.50000  110.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   56    49    50    35.00000  109.50000
   56    49    53    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    51    47   0.56750  1.0 1.0
   29    33    51    47  -0.07550 -1.0 2.0
   29    33    51    47   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    58   0.44750  1.0 1.0
   29    33    51    58  -0.17800 -1.0 2.0
   29    33    51    58   0.20200  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    45   0.42700  1.0 1.0
   29    33    40    45  -0.70350 -1.0 2.0
   29    33    40    45  -0.43150  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    44   0.15000  1.0 3.0
   33    37   -42    47  -0.95700  1.0 1.0
   33    37   -42    47  -0.18200 -1.0 2.0
   33    37   -42    47   0.29450  1.0 3.0
   33    51    58    59   0.15000  1.0 3.0
   33    51    58    60   0.15000  1.0 3.0
   33    51    58    64   0.34400  1.0 1.0
   33    51    58    64   0.09450 -1.0 2.0
   33    51    58    64   0.11100  1.0 3.0
   33    40    45    46   7.00000 -1.0 2.0
   33    40    45    49   7.00000 -1.0 2.0
   37    33   -51    47  -0.95700  1.0 1.0
   37    33   -51    47  -0.18200 -1.0 2.0
   37    33   -51    47   0.29450  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    58   0.56750  1.0 1.0
   37    33    51    58  -0.07550 -1.0 2.0
   37    33    51    58   0.20000  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    45   0.09850  1.0 1.0
   37    33    40    45   0.15250 -1.0 2.0
   37    33    40    45  -0.50650  1.0 3.0
   37    42    47    48   0.30150 -1.0 2.0
   37    42   -47    51   0.60050  1.0 1.0
   37    42   -47    51   0.05600 -1.0 2.0
   37    42   -47    51   0.26150  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    47  -0.11250  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    44   0.15000  1.0 3.0
   39    37    42    47  -0.11250  1.0 3.0
   42    47   -51    33   0.60050  1.0 1.0
   42    47   -51    33   0.05600 -1.0 2.0
   42    47   -51    33   0.26150  1.0 3.0
   42    47    51    52   0.00000  1.0 1.0
   42    47    51    58   0.60050  1.0 1.0
   42    47    51    58   0.05600 -1.0 2.0
   42    47    51    58   0.26150  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   44    42    47    48   0.00000  1.0 1.0
   44    42    47    51   0.00000  1.0 1.0
   47    51    58    59  -0.11250  1.0 3.0
   47    51    58    60  -0.11250  1.0 3.0
   47    51    58    64  -0.98800  1.0 1.0
   47    51    58    64   0.48800 -1.0 2.0
   47    51    58    64   0.76800  1.0 3.0
   48    47    51    33   0.30150 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    58   0.30150 -1.0 2.0
   51    33    37    38   0.15000  1.0 3.0
   51    33    37    39   0.15000  1.0 3.0
   51    33   -37    42   0.56750  1.0 1.0
   51    33   -37    42  -0.07550 -1.0 2.0
   51    33   -37    42   0.20000  1.0 3.0
   51    33    40    41   0.00000  1.0 1.0
   51    33    40    45   0.09850  1.0 1.0
   51    33    40    45   0.15250 -1.0 2.0
   51    33    40    45  -0.50650  1.0 3.0
   51    58    64    65   0.00000  1.0 1.0
   51    58    64    69   0.09850  1.0 1.0
   51    58    64    69   0.15250 -1.0 2.0
   51    58    64    69  -0.50650  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    64   0.15000  1.0 3.0
   58    64    69    70   7.00000 -1.0 2.0
   58    64    69    74   7.00000 -1.0 2.0
   59    58    64    65   0.33100  1.0 3.0
   59    58    64    69   0.00000  1.0 1.0
   60    58    64    65   0.33100  1.0 3.0
   60    58    64    69   0.00000  1.0 1.0
   64    69    74    75   0.00000  1.0 1.0
   64    69    74    76   0.00000  1.0 1.0
   64    69    74    81   0.09850  1.0 1.0
   64    69    74    81   0.15250 -1.0 2.0
   64    69    74    81  -0.50650  1.0 3.0
   65    64    69    70   7.00000 -1.0 2.0
   65    64    69    74   7.00000 -1.0 2.0
   69    74    81    82   0.15000  1.0 3.0
   69    74    81    83   0.15000  1.0 3.0
   69    74    81    84   0.34400  1.0 1.0
   69    74    81    84   0.09450 -1.0 2.0
   69    74    81    84   0.11100  1.0 3.0
   70    69    74    75   0.33100  1.0 3.0
   70    69    74    76   0.33100  1.0 3.0
   70    69    74    81   0.00000  1.0 1.0
   74    81    84    85   0.15000  1.0 3.0
   74    81    84    86   0.15000  1.0 3.0
   74    81    84    87  -1.63150  1.0 1.0
   74    81    84    87  -0.43550 -1.0 2.0
   74    81    84    87   0.24500  1.0 3.0
   75    74    81    82   0.15000  1.0 3.0
   75    74    81    83   0.15000  1.0 3.0
   75    74    81    84   0.15000  1.0 3.0
   76    74    81    82   0.15000  1.0 3.0
   76    74    81    83   0.15000  1.0 3.0
   76    74    81    84   0.15000  1.0 3.0
   81    84    87    88   0.41150 -1.0 2.0
   81    84    87    89   0.41150 -1.0 2.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87  -0.11250  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87  -0.11250  1.0 3.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   86    84    87    88   0.00000  1.0 1.0
   86    84    87    89   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.34400  1.0 1.0
   40    33    37    42   0.09450 -1.0 2.0
   40    33    37    42   0.11100  1.0 3.0
   40    33    51    47  -0.98800  1.0 1.0
   40    33    51    47   0.48800 -1.0 2.0
   40    33    51    47   0.76800  1.0 3.0
   40    33    51    52   0.15000  1.0 3.0
   40    33    51    58   0.34400  1.0 1.0
   40    33    51    58   0.09450 -1.0 2.0
   40    33    51    58   0.11100  1.0 3.0
   40    45    49    50   0.00000  1.0 1.0
   40    45    49    53   0.09850  1.0 1.0
   40    45    49    53   0.15250 -1.0 2.0
   40    45    49    53  -0.50650  1.0 3.0
   40    45    49    56   0.67800  1.0 1.0
   40    45    49    56   0.47050 -1.0 2.0
   40    45    49    56  -0.62500  1.0 3.0
   41    40    45    46   7.00000 -1.0 2.0
   41    40    45    49   7.00000 -1.0 2.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    55   0.15000  1.0 3.0
   45    49    53    61   0.34400  1.0 1.0
   45    49    53    61   0.09450 -1.0 2.0
   45    49    53    61   0.11100  1.0 3.0
   45    49    56    57  -0.07800  1.0 1.0
   45    49    56    57  -0.21500 -1.0 2.0
   45    49    56    57  -0.03150  1.0 3.0
   46    45    49    50   0.33100  1.0 3.0
   46    45    49    53   0.00000  1.0 1.0
   46    45    49    56   0.00000  1.0 1.0
   49    53    61    62   0.15000  1.0 3.0
   49    53    61    63   0.15000  1.0 3.0
   49    53    61    66   0.56750  1.0 1.0
   49    53    61    66  -0.07550 -1.0 2.0
   49    53    61    66   0.20000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    61   0.15000  1.0 3.0
   50    49    56    57   0.19450  1.0 3.0
   53    49    56    57  -0.11600  1.0 1.0
   53    49    56    57  -0.09450 -1.0 2.0
   53    49    56    57   0.21250  1.0 3.0
   53    61    66    67   0.15000  1.0 3.0
   53    61    66    68   0.15000  1.0 3.0
   53    61    66    71   0.56750  1.0 1.0
   53    61    66    71  -0.07550 -1.0 2.0
   53    61    66    71   0.20000  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    66   0.15000  1.0 3.0
   55    53    61    62   0.15000  1.0 3.0
   55    53    61    63   0.15000  1.0 3.0
   55    53    61    66   0.15000  1.0 3.0
   61    66    71    72   0.15000  1.0 3.0
   61    66    71    73   0.15000  1.0 3.0
   61    66    71    77   0.56750  1.0 1.0
   61    66    71    77  -0.07550 -1.0 2.0
   61    66    71    77   0.20000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    71   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   63    61    66    71   0.15000  1.0 3.0
   66    71    77    78   0.15000  1.0 3.0
   66    71    77    79   0.15000  1.0 3.0
   66    71    77    80   0.15000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    77   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    77   0.15000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    80   0.15000  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    80   0.15000  1.0 3.0
   56    49    53    54   0.23400  1.0 3.0
   56    49    53    55   0.23400  1.0 3.0
   56    49    53    61   0.86500  1.0 1.0
   56    49    53    61  -0.17500 -1.0 2.0
   56    49    53    61   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   42    51    47    48  10.50000 -1.0 2.0
   58    65    64    69  15.00000 -1.0 2.0
   74    70    69    64  15.00000 -1.0 2.0
   88    84    87    89  10.50000 -1.0 2.0
   33    41    40    45  15.00000 -1.0 2.0
   49    46    45    40  15.00000 -1.0 2.0
END
