* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    167    255     496
    1     0 S   NP   _N1_     1    28.87593    99.46578   -21.05858
    2     1 S   H    _HN1     2     1.02953    62.06776    17.31978
    3     1 S   H    _H1_     3     1.02833    57.06441   154.81583
    4     1 S   H    _H2_     4     1.02777    89.92525   -93.61392
    5     1 S   CT   _CA1     5     1.50068   157.66776    92.62960
    6     5 S   HC   _HA1     6     1.09597   105.16326   111.29150
    7     5 S   CO3  _C1_     7     1.53917   112.82346    -8.47804
    8     7 S   O2Z  _O11     8     1.26343   114.99666   -37.94789
    9     7 S   O2Z  _O12     9     1.26366   114.98577   141.56954
   10     5 S   CT   _CB1    10     1.53232   107.44239  -131.05781
   11    10 S   HC   HB11    11     1.09793   109.27777   -54.29545
   12    10 S   HC   HB12    12     1.09802   110.49962    62.41818
   13    10 S   CT   _CG1    13     1.52724   112.22465  -175.59371
   14    13 S   HC   HG11    14     1.09557   109.70954   -68.24230
   15    13 S   HC   HG12    15     1.09662   109.92183    50.89964
   16    13 S   C    _CD1    16     1.51559   113.61381   171.77983
   17    16 S   O    _OE1    17     1.22655   123.56904    -1.40611
   18    16 S   N    _N2_    18     1.38573   110.99822   178.42157
   19    18 S   H    _HN2    19     1.01679   118.71545     4.45738
   20    18 S   CT1  _CA2    20     1.45747   123.46759   178.83131
   21    20 S   HC   _HA2    21     1.09719   109.05978    20.98748
   22    20 S   C    _C2_    22     1.52860   107.14244   -96.16476
   23    22 S   O    _O2_    23     1.22963   123.11209   -25.55530
   24    20 S   CT   _CB2    32     1.53120   111.52640   144.12698
   25    24 S   HC   HB21    33     1.09538   109.91140    53.38293
   26    24 S   HC   HB22    34     1.09513   110.80137   172.23661
   27    22 S   N    _N3_    24     1.38502   112.49866   157.17519
   28    27 S   H    _HN3    25     1.01652   120.35854    -2.31054
   29    24 S   S    _SG2    35     1.82536   110.83057   -68.01061
   30    27 S   CT   _CA3    26     1.45351   122.49701   178.56496
   31    30 S   HC   HA31    27     1.09567   107.85545   -54.87928
   32    30 S   HC   HA32    28     1.09561   107.58071    61.46969
   33    29 S   CT   _C13    36     1.82054    99.16485   163.55039
   34    33 S   HC   _H5_    37     1.09709   107.83088    52.28355
   35    30 S   CO3  _C3_    29     1.52889   114.29588  -176.80604
   36    35 S   O2Z  _O31    30     1.26341   116.05314     0.09279
   37    35 S   O2Z  _O32    31     1.26433   114.41381  -179.95154
   38    33 S   CM   _C14    38     1.49637   110.90141   169.99755
   39    38 S   HC   _H20    39     1.08306   123.67682   -37.75949
   40    38 S   CMA  _C15    40     1.34335   112.90694   143.63549
   41    40 S   OM   _O35    41     1.25685   134.24198  -179.02924
   42    40 S   CT   _C16    42     1.53007   109.95630     0.03956
   43    42 S   HC   _H6_    43     1.10036   110.75937  -135.55827
   44    33 S   CT   _C12    44     1.55057   117.12515   -73.01679
   45    44 S   HC   _H4_    45     1.09653   108.35093    92.48226
   46    42 S   CT   _C17    70     1.54671   112.21045   102.61753
   47    46 S   HC   _H21    71     1.09751   110.34607   -65.63696
   48    46 S   HC   _H22    72     1.09757   109.66512    51.40863
   49    44 S   CM   _C11    46     1.51821   115.74506   -29.54558
   50    49 S   HC   _H19    47     1.08835   117.11474   -52.22161
   51    46 S   CT   _C18    73     1.53346   112.29853   171.73345
   52    51 S   HC   _H23    74     1.09684   109.41115   -57.20213
   53    51 S   HC   _H24    75     1.09518   110.45793    60.40122
   54    49 S   CM   _C10    48     1.34245   123.67732   129.94393
   55    54 S   HC   _H18    49     1.08730   119.48243    -0.78484
   56    51 S   CT   _C19    76     1.53023   111.20638  -178.23708
   57    56 S   HC   _H25    77     1.09678   109.59619    58.50137
   58    56 S   HC   _H26    78     1.09680   109.54080   -58.81478
   59    54 S   CT   _C9_    50     1.50127   123.60052   178.11373
   60    59 S   HC   _H3_    51     1.09664   110.73140    12.30929
   61    56 S   CT   _C20    79     1.52967   111.31594   179.84677
   62    61 S   HC   _H27    80     1.09682   109.56212    58.66942
   63    61 S   HC   _H28    81     1.09682   109.55634   -58.61649
   64    59 S   CT   _C8_    52     1.53366   112.86995  -111.50807
   65    64 S   HC   _H16    53     1.09807   108.65597  -173.02664
   66    64 S   HC   _H17    54     1.09831   109.80226   -58.27402
   67    59 S   OH   _O36    68     1.42724   107.33184   129.21265
   68    67 S   HO   _H33    69     0.97616   106.90329  -169.23848
   69    61 S   CT   _C21    82     1.52965   111.32499  -179.98022
   70    69 S   HC   _H29    83     1.09702   109.54058   -58.48043
   71    69 S   HC   _H30    84     1.09702   109.54194    58.45707
   72    64 S   CT   _C7_    55     1.53076   113.30419    65.06379
   73    72 S   HC   _H14    56     1.09615   110.10641   -62.32498
   74    72 S   HC   _H15    57     1.09674   109.51953    55.38988
   75    69 S   CT   _C22    85     1.52540   111.41761   180.00000
   76    75 S   HC   _H31    86     1.09714   109.44492   -58.63368
   77    75 S   HC   _H32    87     1.09714   109.44780    58.67605
   78    72 S   CT   _C6_    58     1.52999   111.25685   176.62774
   79    78 S   HC   _H12    59     1.09681   109.60290   -58.92302
   80    78 S   HC   _H13    60     1.09685   109.56241    58.38247
   81    75 S   CO3  _C23    88     1.53219   115.24738  -179.98022
   82    81 S   O2Z  _O34    89     1.26528   114.02615   179.92598
   83    81 S   O2Z  _O33    90     1.26133   116.67653    -0.07402
   84    78 S   CT   _C5_    61     1.52852   111.28733   179.71745
   85    84 S   HC   _H10    62     1.09626   109.86650   -58.84354
   86    84 S   HC   _H11    63     1.09622   109.86357    58.87838
   87    84 S   CT   _C4_    64     1.52031   111.49295  -180.00000
   88    87 S   HC   _H7_    65     1.09468   111.00187   -60.26058
   89    87 S   HC   _H8_    66     1.09469   110.99967    60.25979
   90    87 S   HC   _H9_    67     1.09449   110.26132   180.00000
  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   9   5   4   3
  13   7   2   1   1   9   4  10   4  13   7  10   4  10   5   4
   7   3   9   5   4   9   4   9   5   4  10   6   9   5   4  11
   6   5   2   1   8   5   4   9   5   4   5   4   3   9   5   4
   2   1   1   6   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    44    45    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    49    50    54    46  
   38    39    40    42    44    45    49  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    49    46  
   40    41    42    44  
   41    42    43    44    45    49    46    47    48    51  
   42    43    44    46  
   43    44    45    49    50    54    46    47    48    51    52    53    56  
   44    45    49    46    47    48    51  
   45    49    50    54    55    59    46    47    48    51  
   49    50    54    46  
   47    48    51    52    53    56    57    58    61    49  
   48    51    52    53    56  
   51    52    53    56  
   50    54    55    59    60    64    67  
   54    55    59  
   52    53    56    57    58    61    62    63    69  
   53    56    57    58    61  
   56    57    58    61  
   55    59    60    64    65    66    72    67    68  
   59    60    64    67  
   57    58    61    62    63    69    70    71    75  
   58    61    62    63    69  
   61    62    63    69  
   60    64    65    66    72    73    74    78    67    68  
   64    65    66    72    67    68  
   62    63    69    70    71    75    76    77    81  
   63    69    70    71    75  
   69    70    71    75  
   65    66    72    73    74    78    79    80    84    67    68  
   66    72    73    74    78    67  
   72    73    74    78    67  
   68    72  
    0  
   70    71    75    76    77    81    82    83  
   71    75    76    77    81  
   75    76    77    81  
   73    74    78    79    80    84    85    86    87  
   74    78    79    80    84  
   78    79    80    84  
   76    77    81    82    83  
   77    81    82    83  
   81    82    83  
   79    80    84    85    86    87    88    89    90  
   80    84    85    86    87  
   84    85    86    87  
   82    83  
   83  
    0  
   85    86    87    88    89    90  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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   3.5500   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    44   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   268.000  1.529
   44    45   340.000  1.090
   44    49   317.000  1.510
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    64   268.000  1.529
   59    67   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   67    68   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   317.000  1.522
   81    82   656.000  1.250
   81    83   656.000  1.250
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  112.20000
   29    33    44    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    44    42    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    49    70.00000  112.02700
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    70.00000  112.02700
   40    42    46    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    44    45    37.50000  110.70000
   42    44    49    70.00000  112.02700
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    51    58.35000  112.70000
   44    33    34    37.50000  110.70000
   44    33    38    70.00000  112.02700
   44    42    43    37.50000  110.70000
   44    49    50    35.00000  117.00000
   44    49    54    70.00000  124.00000
   49    44    45    35.00000  109.50000
   49    54    55    35.00000  120.00000
   49    54    59    70.00000  124.00000
   54    49    50    35.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    64    70.00000  112.02700
   54    59    67    90.00000  110.39200
   59    54    55    35.00000  117.00000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    72    58.35000  112.70000
   59    67    68    55.00000  108.50000
   64    59    60    37.50000  110.70000
   64    72    73    37.50000  110.70000
   64    72    74    37.50000  110.70000
   64    72    78    58.35000  112.70000
   66    64    65    33.00000  107.80000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    84    58.35000  112.70000
   74    72    73    33.00000  107.80000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    87    58.35000  112.70000
   80    78    79    33.00000  107.80000
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    64    50.00000  109.50000
   46    42    43    37.50000  110.70000
   46    42    44    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    69    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    75    58.35000  112.70000
   63    61    62    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    81    70.00000  109.69300
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    81    82    70.00000  117.00000
   75    81    83    70.00000  117.00000
   77    75    76    33.00000  107.80000
   81    75    76    35.00000  109.50000
   81    75    77    35.00000  109.50000
   83    81    82    80.00000  126.00000
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  -0.62250  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    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    44    42   0.44750  1.0 1.0
   29    33    44    42  -0.17800 -1.0 2.0
   29    33    44    42   0.20200  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    49   0.56750  1.0 1.0
   29    33    44    49  -0.07550 -1.0 2.0
   29    33    44    49   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    44    49    50   0.00000  1.0 1.0
   33    44    49    54   0.09850  1.0 1.0
   33    44    49    54   0.15250 -1.0 2.0
   33    44    49    54  -0.50650  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    44    42   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    49   0.15000  1.0 3.0
   38    33   -44    42   0.34400  1.0 1.0
   38    33   -44    42   0.09450 -1.0 2.0
   38    33   -44    42   0.11100  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    49   0.31000  1.0 1.0
   38    33    44    49   0.14700 -1.0 2.0
   38    33    44    49   0.07550  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.09850  1.0 1.0
   38    40   -42    44   0.15250 -1.0 2.0
   38    40   -42    44  -0.50650  1.0 3.0
   38    40    42    46   0.09850  1.0 1.0
   38    40    42    46   0.15250 -1.0 2.0
   38    40    42    46  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -44    33   0.34400  1.0 1.0
   40    42   -44    33   0.09450 -1.0 2.0
   40    42   -44    33   0.11100  1.0 3.0
   40    42    44    45   0.15000  1.0 3.0
   40    42    44    49   0.31000  1.0 1.0
   40    42    44    49   0.14700 -1.0 2.0
   40    42    44    49   0.07550  1.0 3.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    46    48   0.15000  1.0 3.0
   40    42    46    51   0.34400  1.0 1.0
   40    42    46    51   0.09450 -1.0 2.0
   40    42    46    51   0.11100  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.09700  1.0 1.0
   41    40    42    44   0.15600 -1.0 2.0
   41    40    42    44  -0.50800  1.0 3.0
   41    40    42    46   0.09700  1.0 1.0
   41    40    42    46   0.15600 -1.0 2.0
   41    40    42    46  -0.50800  1.0 3.0
   42    44    49    50   0.00000  1.0 1.0
   42    44    49    54   0.09850  1.0 1.0
   42    44    49    54   0.15250 -1.0 2.0
   42    44    49    54  -0.50650  1.0 3.0
   42    46    51    52   0.15000  1.0 3.0
   42    46    51    53   0.15000  1.0 3.0
   42    46    51    56   0.56750  1.0 1.0
   42    46    51    56  -0.07550 -1.0 2.0
   42    46    51    56   0.20000  1.0 3.0
   43    42    44    33   0.15000  1.0 3.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    49   0.15000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    51   0.15000  1.0 3.0
   44    33    38    39   0.00000  1.0 1.0
   44    33   -38    40   0.09850  1.0 1.0
   44    33   -38    40   0.15250 -1.0 2.0
   44    33   -38    40  -0.50650  1.0 3.0
   44    42    46    47   0.15000  1.0 3.0
   44    42    46    48   0.15000  1.0 3.0
   44    42    46    51   0.56750  1.0 1.0
   44    42    46    51  -0.07550 -1.0 2.0
   44    42    46    51   0.20000  1.0 3.0
   44    49    54    55   7.00000 -1.0 2.0
   44    49    54    59   7.00000 -1.0 2.0
   45    44    49    50   0.33100  1.0 3.0
   45    44    49    54   0.00000  1.0 1.0
   49    54    59    60   0.00000  1.0 1.0
   49    54    59    64   0.09850  1.0 1.0
   49    54    59    64   0.15250 -1.0 2.0
   49    54    59    64  -0.50650  1.0 3.0
   49    54    59    67   0.67800  1.0 1.0
   49    54    59    67   0.47050 -1.0 2.0
   49    54    59    67  -0.62500  1.0 3.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    59   7.00000 -1.0 2.0
   54    59    64    65   0.15000  1.0 3.0
   54    59    64    66   0.15000  1.0 3.0
   54    59    64    72   0.34400  1.0 1.0
   54    59    64    72   0.09450 -1.0 2.0
   54    59    64    72   0.11100  1.0 3.0
   54    59    67    68  -0.07800  1.0 1.0
   54    59    67    68  -0.21500 -1.0 2.0
   54    59    67    68  -0.03150  1.0 3.0
   55    54    59    60   0.33100  1.0 3.0
   55    54    59    64   0.00000  1.0 1.0
   55    54    59    67   0.00000  1.0 1.0
   59    64    72    73   0.15000  1.0 3.0
   59    64    72    74   0.15000  1.0 3.0
   59    64    72    78   0.56750  1.0 1.0
   59    64    72    78  -0.07550 -1.0 2.0
   59    64    72    78   0.20000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    72   0.15000  1.0 3.0
   60    59    67    68   0.19450  1.0 3.0
   64    59    67    68  -0.11600  1.0 1.0
   64    59    67    68  -0.09450 -1.0 2.0
   64    59    67    68   0.21250  1.0 3.0
   64    72    78    79   0.15000  1.0 3.0
   64    72    78    80   0.15000  1.0 3.0
   64    72    78    84   0.56750  1.0 1.0
   64    72    78    84  -0.07550 -1.0 2.0
   64    72    78    84   0.20000  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    74   0.15000  1.0 3.0
   65    64    72    78   0.15000  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    74   0.15000  1.0 3.0
   66    64    72    78   0.15000  1.0 3.0
   72    78    84    85   0.15000  1.0 3.0
   72    78    84    86   0.15000  1.0 3.0
   72    78    84    87   0.56750  1.0 1.0
   72    78    84    87  -0.07550 -1.0 2.0
   72    78    84    87   0.20000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    84   0.15000  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    84   0.15000  1.0 3.0
   78    84    87    88   0.15000  1.0 3.0
   78    84    87    89   0.15000  1.0 3.0
   78    84    87    90   0.15000  1.0 3.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   79    78    84    87   0.15000  1.0 3.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.15000  1.0 3.0
   80    78    84    87   0.15000  1.0 3.0
   85    84    87    88   0.15000  1.0 3.0
   85    84    87    89   0.15000  1.0 3.0
   85    84    87    90   0.15000  1.0 3.0
   86    84    87    88   0.15000  1.0 3.0
   86    84    87    89   0.15000  1.0 3.0
   86    84    87    90   0.15000  1.0 3.0
   67    59    64    65   0.23400  1.0 3.0
   67    59    64    66   0.23400  1.0 3.0
   67    59    64    72   0.86500  1.0 1.0
   67    59    64    72  -0.17500 -1.0 2.0
   67    59    64    72   0.20800  1.0 3.0
   46    42    44    33   0.56750  1.0 1.0
   46    42    44    33  -0.07550 -1.0 2.0
   46    42    44    33   0.20000  1.0 3.0
   46    42    44    45   0.15000  1.0 3.0
   46    42    44    49   0.34400  1.0 1.0
   46    42    44    49   0.09450 -1.0 2.0
   46    42    44    49   0.11100  1.0 3.0
   46    51    56    57   0.15000  1.0 3.0
   46    51    56    58   0.15000  1.0 3.0
   46    51    56    61   0.56750  1.0 1.0
   46    51    56    61  -0.07550 -1.0 2.0
   46    51    56    61   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    56   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    56   0.15000  1.0 3.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.15000  1.0 3.0
   51    56    61    69   0.56750  1.0 1.0
   51    56    61    69  -0.07550 -1.0 2.0
   51    56    61    69   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   56    61    69    70   0.15000  1.0 3.0
   56    61    69    71   0.15000  1.0 3.0
   56    61    69    75   0.56750  1.0 1.0
   56    61    69    75  -0.07550 -1.0 2.0
   56    61    69    75   0.20000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    69   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    69   0.15000  1.0 3.0
   61    69    75    76   0.15000  1.0 3.0
   61    69    75    77   0.15000  1.0 3.0
   61    69    75    81  -1.63150  1.0 1.0
   61    69    75    81  -0.43550 -1.0 2.0
   61    69    75    81   0.24500  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    75   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    71   0.15000  1.0 3.0
   63    61    69    75   0.15000  1.0 3.0
   69    75    81    82   0.41150 -1.0 2.0
   69    75    81    83   0.41150 -1.0 2.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    81  -0.11250  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    81  -0.11250  1.0 3.0
   76    75    81    82   0.00000  1.0 1.0
   76    75    81    83   0.00000  1.0 1.0
   77    75    81    82   0.00000  1.0 1.0
   77    75    81    83   0.00000  1.0 1.0
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    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   44    50    49    54  15.00000 -1.0 2.0
   59    55    54    49  15.00000 -1.0 2.0
   82    75    81    83  10.50000 -1.0 2.0
END
