* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    163    239     475
    1     0 S   NP   _N1_     1    30.16396    98.97486   -25.31675
    2     1 S   H    _HN1     2     1.02740    17.80300   137.84523
    3     1 S   H    _H1_     3     1.03244   121.81392   176.37388
    4     1 S   H    _H2_     4     1.02862    92.12227   -70.99048
    5     1 S   CT   _CA1     5     1.49838   110.39486    42.38402
    6     5 S   HC   _HA1     6     1.09582   105.16079    78.67505
    7     5 S   CO3  _C1_     7     1.53832   112.12829   -41.48863
    8     7 S   O2Z  _O11     8     1.26422   115.09230   -48.20514
    9     7 S   O2Z  _O12     9     1.26233   115.03503   130.44146
   10     5 S   CT   _CB1    10     1.53107   107.49477  -163.21630
   11    10 S   HC   HB11    11     1.09810   109.90883   -45.82987
   12    10 S   HC   HB12    12     1.09775   110.50875    71.00666
   13    10 S   CT   _CG1    13     1.52916   112.01359  -166.28885
   14    13 S   HC   HG11    14     1.09547   111.08165   -62.80351
   15    13 S   HC   HG12    15     1.09554   109.17137    55.89389
   16    13 S   C    _CD1    16     1.51763   111.40840   177.70612
   17    16 S   O    _OE1    17     1.22867   122.61158    38.62460
   18    16 S   N    _N2_    18     1.38298   112.56340  -142.29896
   19    18 S   H    _HN2    19     1.01797   119.16204    -2.36339
   20    18 S   CT1  _CA2    20     1.46006   123.19764  -178.47505
   21    20 S   HC   _HA2    21     1.09685   108.24217    41.64074
   22    20 S   C    _C2_    22     1.53201   109.13037   -75.31028
   23    22 S   O    _O2_    23     1.23090   121.09881   148.89431
   24    20 S   CT   _CB2    32     1.53429   111.63976   164.93429
   25    24 S   HC   HB21    33     1.09427   109.76650    60.73606
   26    24 S   HC   HB22    34     1.09571   110.05301   178.31577
   27    22 S   N    _N3_    24     1.38319   114.02330   -38.48344
   28    27 S   H    _HN3    25     1.01756   118.38176     5.52006
   29    24 S   S    _SG2    35     1.83263   111.22041   -62.25971
   30    27 S   CT   _CA3    26     1.45289   124.00559   179.96044
   31    30 S   HC   HA31    27     1.09498   109.32560    21.12741
   32    30 S   HC   HA32    28     1.09484   107.05764   138.38786
   33    29 S   CT   _C23    36     1.86405   101.75716   141.98211
   34    33 S   OM   _O38    37     1.31848   108.77829    62.82333
   35    30 S   CO3  _C3_    29     1.52922   113.41631  -102.11388
   36    35 S   O2Z  _O31    30     1.26352   116.00672   -31.88705
   37    35 S   O2Z  _O32    31     1.26435   114.76677   148.97432
   38    33 S   CM   _C22    38     1.52708   111.58528   -58.44362
   39    38 S   HC   _H21    39     1.09324   114.84190   125.03910
   40    33 S   S    _S1_    87     1.86340   107.03556  -179.43907
   41    38 S   CMA  _C21    40     1.35854   129.39734   -54.05613
   42    41 S   OM   _O39    41     1.26245   132.07450    -1.41831
   43    40 S   CT   _C24    88     1.81503   101.52608   176.94738
   44    43 S   HC   _H22    89     1.09375   108.46866   178.16901
   45    43 S   HC   _H23    90     1.09273   111.27320    59.60679
   46    43 S   HC   _H24    91     1.09255   111.18291   -63.41555
   47    41 S   CT   _C20    42     1.52739   116.77508   179.54544
   48    47 S   HC   _H19    43     1.09898   111.12705   146.44849
   49    47 S   HC   _H20    44     1.09778   111.28308    28.61052
   50    47 S   CO4  _C19    45     1.52861   112.11057   -91.24723
   51    50 S   O    _O37    46     1.23202   122.74696    26.76566
   52    50 S   CT   _C18    47     1.52234   116.93060  -155.91651
   53    52 S   HC   _H17    48     1.09678   105.47495   114.29572
   54    52 S   HC   _H18    49     1.09638   108.96253    -0.92408
   55    52 S   CT   _C17    50     1.54854   113.05416  -123.60804
   56    55 S   CM   _C12    51     1.51913   110.95126   176.86156
   57    55 S   OH   _O40    85     1.43387   108.65104   -66.60849
   58    57 S   HO   _H25    86     0.97326   108.16437    55.02408
   59    56 S   CMA  _C13    52     1.35518   126.91435  -129.82514
   60    59 S   OM   _O42    53     1.26425   131.20882   179.55854
   61    56 S   CO4  _C11    64     1.49862   116.78234    52.67033
   62    61 S   O    _O36    65     1.22951   120.65737   -92.63778
   63    59 S   CT   _C14    54     1.52908   118.38692    -2.38753
   64    63 S   HC   _H13    55     1.09976   108.28221   102.48172
   65    63 S   HC   _H14    56     1.10038   110.49895  -140.40898
   66    61 S   CT   _C10    66     1.51240   116.72261    86.05409
   67    66 S   HC   _H11    67     1.09548   109.57427     4.94526
   68    66 S   HC   _H12    68     1.09524   107.80841   121.90696
   69    63 S   CT   _C15    57     1.53287   114.44657   -18.82478
   70    69 S   HC   _H3_    58     1.09604   109.20539   168.39597
   71    66 S   CO4  _C9_    69     1.51371   114.67817  -116.87394
   72    71 S   O    _O35    70     1.22970   122.03319    -9.37371
   73    55 S   CT   _C16    59     1.54623   109.94188    52.37611
   74    73 S   HC   _H15    60     1.09795   109.94704    39.65525
   75    73 S   HC   _H16    61     1.09736   109.72066   -78.77163
   76    69 S   OH   _O41    62     1.42511   110.89873   -74.22719
   77    76 S   HO   _H26    63     0.97197   107.75001   -50.65128
   78    71 S   CT   _C8_    71     1.51600   115.53744   170.13448
   79    78 S   HC   _H9_    72     1.09490   106.95029   -68.12814
   80    78 S   HC   _H10    73     1.09493   108.74939    49.41651
   81    78 S   CO4  _C7_    74     1.51457   116.01002   170.31980
   82    81 S   O    _O34    75     1.23116   122.13457   -28.69561
   83    81 S   CT   _C6_    76     1.51213   116.32338   155.69137
   84    83 S   HC   _H7_    77     1.09330   109.94311   -44.83682
   85    83 S   HC   _H8_    78     1.09525   108.15753    72.56488
   86    83 S   CO4  _C5_    79     1.51013   114.09605  -166.31741
   87    86 S   O    _O33    80     1.23110   121.35644  -105.18965
   88    86 S   CT   _C4_    81     1.50667   117.22524    74.30706
   89    88 S   HC   _H4_    82     1.09250   109.58393    61.03790
   90    88 S   HC   _H5_    83     1.09223   110.00959   -60.33275
   91    88 S   HC   _H6_    84     1.09361   109.58617  -179.77532
  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   2   1   1   9   4   5   7   4   3   2   1   1   8   4
   3   8   4  12   5   4  15  17   7   1  11   5   9   4   9   5
   4   8   4   3   6   5   7   4   4   2   1   1   1   8   4   3
   7   4   8   4   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    47    40    43    44    45    46  
   38    39    41    40    43  
   36    37  
   37  
    0  
   39    41    42    47    48    49    50    40    43  
   41    42    47    40  
   43    44    45    46    41  
   42    47    48    49    50    51    52  
   47    48    49    50  
   44    45    46  
   45    46  
   46  
    0  
   48    49    50    51    52    53    54    55  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    56    73    57  
   52    53    54    55  
   53    54    55    56    59    69    73    74    75    61    57    58  
   54    55    56    73    57  
   55    56    73    57  
   56    59    60    63    69    70    73    74    75    76    61    62    66    57    58  
   59    60    63    64    65    69    73    74    75    61    62    66    67    68    71    57    58  
   58    59    61    69    73    74    75  
   73  
   60    63    64    65    69    70    73    76    61    62    66  
   63    64    65    69    61  
   62    66    67    68    71    72    78    63    73  
   66    67    68    71  
   64    65    69    70    73    74    75    76    77  
   65    69    70    73    76  
   69    70    73    76  
   67    68    71    72    78    79    80    81  
   68    71    72    78  
   71    72    78  
   70    73    74    75    76    77  
   73    74    75    76    77  
   72    78    79    80    81    82    83  
   78    79    80    81  
   74    75    76    77  
   75    76  
   76  
   77  
    0  
   79    80    81    82    83    84    85    86  
   80    81    82    83  
   81    82    83  
   82    83    84    85    86    87    88  
   83    84    85    86  
   84    85    86    87    88    89    90    91  
   85    86    87    88  
   86    87    88  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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  -0.175000   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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   60   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   570.000  1.307
   33    38   317.000  1.510
   33    40   222.000  1.810
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.522
   50    51   570.000  1.229
   50    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   317.000  1.510
   55    73   268.000  1.529
   55    57   320.000  1.410
   56    59   465.000  1.376
   56    61   320.000  1.462
   59    60   745.000  1.250
   59    63   270.000  1.512
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    76   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   76    77   553.000  0.945
   61    62   570.000  1.229
   61    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   317.000  1.522
   71    72   570.000  1.229
   71    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   317.000  1.522
   81    82   570.000  1.229
   81    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   317.000  1.522
   86    87   570.000  1.229
   86    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   57    58   553.000  0.945
   40    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  118.28000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    62.00000   98.90000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    47    65.00000  122.18000
   41    38    39    40.00000  120.50800
   41    47    48    45.00000  110.52000
   41    47    49    45.00000  110.52000
   41    47    50    70.00000  109.06800
   47    41    42    85.00000  112.85300
   47    50    51    80.00000  120.40000
   47    50    52    70.00000  116.00000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    63.00000  111.10000
   52    50    51    80.00000  120.40000
   52    55    56    70.00000  112.02700
   52    55    73    58.35000  112.70000
   52    55    57    50.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    56    59    70.00000  124.00000
   55    56    61    65.00000  116.34900
   55    73    69    58.35000  112.70000
   55    73    74    37.50000  110.70000
   55    73    75    37.50000  110.70000
   55    57    58    55.00000  108.50000
   56    59    60    65.00000  137.10300
   56    59    63    65.00000  122.18000
   56    61    62    80.00000  123.72100
   56    61    66    65.00000  118.62400
   59    63    64    45.00000  110.52000
   59    63    65    45.00000  110.52000
   59    63    69    70.00000  112.02700
   63    59    60    85.00000  112.85300
   63    69    70    37.50000  110.70000
   63    69    73    58.35000  112.70000
   63    69    76    50.00000  109.50000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    76    77    55.00000  108.50000
   73    55    56    70.00000  112.02700
   73    69    70    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    69    70    35.00000  109.50000
   76    69    73    50.00000  109.50000
   61    56    59    60.00000  125.92000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    71    75.00000  107.99600
   66    61    62    80.00000  120.40000
   66    71    72    80.00000  120.40000
   66    71    78    70.00000  116.00000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    75.00000  107.99600
   78    71    72    80.00000  120.40000
   78    81    82    80.00000  120.40000
   78    81    83    70.00000  116.00000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    86    75.00000  107.99600
   83    81    82    80.00000  120.40000
   83    86    87    80.00000  120.40000
   83    86    88    70.00000  116.00000
   85    83    84    33.00000  107.80000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
   86    88    89    35.00000  109.50000
   86    88    90    35.00000  109.50000
   86    88    91    35.00000  109.50000
   88    86    87    80.00000  120.40000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   57    55    56    90.00000  110.39200
   57    55    73    50.00000  109.50000
   40    33    34    85.00000  114.68000
   40    33    38    75.00000  112.20000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  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   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.08500  1.0 1.0
   29    33    40    43  -0.53150 -1.0 2.0
   29    33    40    43   0.48050  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    40    43    44   0.32350  1.0 3.0
   33    40    43    45   0.32350  1.0 3.0
   33    40    43    46   0.32350  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    40    43   0.13850  1.0 1.0
   34    33    40    43  -1.34450 -1.0 2.0
   34    33    40    43   0.57400  1.0 3.0
   38    33    40    43  -0.62250  1.0 1.0
   38    33    40    43  -0.38450 -1.0 2.0
   38    33    40    43   0.81900  1.0 3.0
   38    41    47    48   0.00000  1.0 1.0
   38    41    47    49   0.00000  1.0 1.0
   38    41    47    50  -0.51250  1.0 1.0
   38    41    47    50  -0.88800 -1.0 2.0
   38    41    47    50   0.08850  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    47   7.00000 -1.0 2.0
   41    47    50    51   0.30150 -1.0 2.0
   41    47    50    52   0.65300  1.0 1.0
   41    47    50    52  -0.03850 -1.0 2.0
   41    47    50    52   0.33900  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   0.00000  1.0 1.0
   42    41    47    50   0.09700  1.0 1.0
   42    41    47    50   0.15600 -1.0 2.0
   42    41    47    50  -0.50800  1.0 3.0
   47    50    52    53   0.00000  1.0 1.0
   47    50    52    54   0.00000  1.0 1.0
   47    50    52    55   0.60050  1.0 1.0
   47    50    52    55   0.05600 -1.0 2.0
   47    50    52    55   0.26150  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   49    47    50    51   0.00000  1.0 1.0
   49    47    50    52   0.00000  1.0 1.0
   50    52    55    56  -0.98800  1.0 1.0
   50    52    55    56   0.48800 -1.0 2.0
   50    52    55    56   0.76800  1.0 3.0
   50    52    55    73  -0.95700  1.0 1.0
   50    52    55    73  -0.18200 -1.0 2.0
   50    52    55    73   0.29450  1.0 3.0
   50    52    55    57  -0.09450  1.0 1.0
   50    52    55    57  -1.12950 -1.0 2.0
   50    52    55    57   0.54000  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.30150 -1.0 2.0
   52    55    56    59   0.09850  1.0 1.0
   52    55    56    59   0.15250 -1.0 2.0
   52    55    56    59  -0.50650  1.0 3.0
   52    55    56    61   0.09700  1.0 1.0
   52    55    56    61   0.15600 -1.0 2.0
   52    55    56    61  -0.50800  1.0 3.0
   52    55    73    69   0.56750  1.0 1.0
   52    55    73    69  -0.07550 -1.0 2.0
   52    55    73    69   0.20000  1.0 3.0
   52    55    73    74   0.15000  1.0 3.0
   52    55    73    75   0.15000  1.0 3.0
   52    55    57    58  -0.11600  1.0 1.0
   52    55    57    58  -0.09450 -1.0 2.0
   52    55    57    58   0.21250  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    73   0.15000  1.0 3.0
   53    52    55    57   0.23400  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    73   0.15000  1.0 3.0
   54    52    55    57   0.23400  1.0 3.0
   55    56    59    60   7.00000 -1.0 2.0
   55    56    59    63   7.00000 -1.0 2.0
   55    56    61    62  -0.64400  1.0 1.0
   55    56    61    62   0.26850 -1.0 2.0
   55    56    61    66   0.25700  1.0 1.0
   55    56    61    66   0.66200 -1.0 2.0
   55    56    61    66   0.04450  1.0 3.0
   56    55    73    69   0.34400  1.0 1.0
   56    55    73    69   0.09450 -1.0 2.0
   56    55    73    69   0.11100  1.0 3.0
   56    55    73    74   0.15000  1.0 3.0
   56    55    73    75   0.15000  1.0 3.0
   56    55    57    58  -0.07800  1.0 1.0
   56    55    57    58  -0.21500 -1.0 2.0
   56    55    57    58  -0.03150  1.0 3.0
   56    59    63    64   0.00000  1.0 1.0
   56    59    63    65   0.00000  1.0 1.0
   56    59   -63    69   0.09850  1.0 1.0
   56    59   -63    69   0.15250 -1.0 2.0
   56    59   -63    69  -0.50650  1.0 3.0
   56    61    66    67   0.00000  1.0 1.0
   56    61    66    68   0.00000  1.0 1.0
   56    61    66    71   0.65300  1.0 1.0
   56    61    66    71  -0.03850 -1.0 2.0
   56    61    66    71   0.33900  1.0 3.0
   59    56    61    62   1.00000 -1.0 2.0
   59    56    61    66  -0.33500  1.0 1.0
   59    56    61    66   1.06600 -1.0 2.0
   59    56    61    66  -0.14000  1.0 3.0
   59    63    69    70   0.15000  1.0 3.0
   59    63    69    73   0.34400  1.0 1.0
   59    63    69    73   0.09450 -1.0 2.0
   59    63    69    73   0.11100  1.0 3.0
   59    63    69    76   1.05650  1.0 1.0
   59    63    69    76   0.15600 -1.0 2.0
   59    63    69    76   0.53150  1.0 3.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    65   0.00000  1.0 1.0
   60    59    63    69   0.09700  1.0 1.0
   60    59    63    69   0.15600 -1.0 2.0
   60    59    63    69  -0.50800  1.0 3.0
   63    69   -73    55   0.56750  1.0 1.0
   63    69   -73    55  -0.07550 -1.0 2.0
   63    69   -73    55   0.20000  1.0 3.0
   63    69    73    74   0.15000  1.0 3.0
   63    69    73    75   0.15000  1.0 3.0
   63    69    76    77  -0.11600  1.0 1.0
   63    69    76    77  -0.09450 -1.0 2.0
   63    69    76    77   0.21250  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    73   0.15000  1.0 3.0
   64    63    69    76   0.23400  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    73   0.15000  1.0 3.0
   65    63    69    76   0.23400  1.0 3.0
   70    69    73    55   0.15000  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    76    77   0.19450  1.0 3.0
   73    55   -56    59   0.09850  1.0 1.0
   73    55   -56    59   0.15250 -1.0 2.0
   73    55   -56    59  -0.50650  1.0 3.0
   73    55    56    61   0.09700  1.0 1.0
   73    55    56    61   0.15600 -1.0 2.0
   73    55    56    61  -0.50800  1.0 3.0
   73    55    57    58  -0.11600  1.0 1.0
   73    55    57    58  -0.09450 -1.0 2.0
   73    55    57    58   0.21250  1.0 3.0
   73    69    76    77  -0.11600  1.0 1.0
   73    69    76    77  -0.09450 -1.0 2.0
   73    69    76    77   0.21250  1.0 3.0
   76    69    73    55   0.86500  1.0 1.0
   76    69    73    55  -0.17500 -1.0 2.0
   76    69    73    55   0.20800  1.0 3.0
   76    69    73    74   0.23400  1.0 3.0
   76    69    73    75   0.23400  1.0 3.0
   61    56    59    60   7.00000 -1.0 2.0
   61    56    59    63   7.00000 -1.0 2.0
   61    66    71    72   0.30150 -1.0 2.0
   61    66    71    78   0.65300  1.0 1.0
   61    66    71    78  -0.03850 -1.0 2.0
   61    66    71    78   0.33900  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    68   0.00000  1.0 1.0
   62    61    66    71   0.30150 -1.0 2.0
   66    71    78    79   0.00000  1.0 1.0
   66    71    78    80   0.00000  1.0 1.0
   66    71    78    81   0.65300  1.0 1.0
   66    71    78    81  -0.03850 -1.0 2.0
   66    71    78    81   0.33900  1.0 3.0
   67    66    71    72   0.00000  1.0 1.0
   67    66    71    78   0.00000  1.0 1.0
   68    66    71    72   0.00000  1.0 1.0
   68    66    71    78   0.00000  1.0 1.0
   71    78    81    82   0.30150 -1.0 2.0
   71    78    81    83   0.65300  1.0 1.0
   71    78    81    83  -0.03850 -1.0 2.0
   71    78    81    83   0.33900  1.0 3.0
   72    71    78    79   0.00000  1.0 1.0
   72    71    78    80   0.00000  1.0 1.0
   72    71    78    81   0.30150 -1.0 2.0
   78    81    83    84   0.00000  1.0 1.0
   78    81    83    85   0.00000  1.0 1.0
   78    81    83    86   0.65300  1.0 1.0
   78    81    83    86  -0.03850 -1.0 2.0
   78    81    83    86   0.33900  1.0 3.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   80    78    81    82   0.00000  1.0 1.0
   80    78    81    83   0.00000  1.0 1.0
   81    83    86    87   0.30150 -1.0 2.0
   81    83    86    88   0.65300  1.0 1.0
   81    83    86    88  -0.03850 -1.0 2.0
   81    83    86    88   0.33900  1.0 3.0
   82    81    83    84   0.00000  1.0 1.0
   82    81    83    85   0.00000  1.0 1.0
   82    81    83    86   0.30150 -1.0 2.0
   83    86    88    89   0.00000  1.0 1.0
   83    86    88    90   0.00000  1.0 1.0
   83    86    88    91   0.00000  1.0 1.0
   84    83    86    87   0.00000  1.0 1.0
   84    83    86    88   0.00000  1.0 1.0
   85    83    86    87   0.00000  1.0 1.0
   85    83    86    88   0.00000  1.0 1.0
   87    86    88    89   0.00000  1.0 1.0
   87    86    88    90   0.00000  1.0 1.0
   87    86    88    91   0.00000  1.0 1.0
   57    55    56    59   0.67800  1.0 1.0
   57    55    56    59   0.47050 -1.0 2.0
   57    55    56    59  -0.62500  1.0 3.0
   57    55    56    61   0.09700  1.0 1.0
   57    55    56    61   0.15600 -1.0 2.0
   57    55    56    61  -0.50800  1.0 3.0
   57    55    73    69   0.86500  1.0 1.0
   57    55    73    69  -0.17500 -1.0 2.0
   57    55    73    69   0.20800  1.0 3.0
   57    55    73    74   0.23400  1.0 3.0
   57    55    73    75   0.23400  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.42700  1.0 1.0
   40    33    38    41  -0.70350 -1.0 2.0
   40    33    38    41  -0.43150  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
   33    39    38    41  15.00000 -1.0 2.0
   47    42    41    38  15.00000 -1.0 2.0
   47    52    50    51  10.50000 -1.0 2.0
   55    61    56    59   1.10000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   56    66    61    62  10.50000 -1.0 2.0
   66    78    71    72  10.50000 -1.0 2.0
   78    83    81    82  10.50000 -1.0 2.0
   83    88    86    87  10.50000 -1.0 2.0
END
