* LIGAND DATABASE FILE (OPLS2005)
*
001     113   116    229    371     694
    1     0 S   NP   _N1_     1    28.68363    94.95994   -21.30244
    2     1 S   H    _HN1     2     1.02949    79.87932    19.71760
    3     1 S   H    _H1_     3     1.02827    36.64245   157.27501
    4     1 S   H    _H2_     4     1.02783    94.35276   -88.23519
    5     1 S   CT   _CA1     5     1.50150   145.19908   130.99343
    6     5 S   HC   _HA1     6     1.09564   105.15218    75.68379
    7     5 S   CO3  _C1_     7     1.53772   112.52641   -44.51317
    8     7 S   O2Z  _O11     8     1.26383   114.95349   -37.95084
    9     7 S   O2Z  _O12     9     1.26230   115.00079   141.14881
   10     5 S   CT   _CB1    10     1.53071   107.40707  -166.18716
   11    10 S   HC   HB11    11     1.09834   109.41007   -47.56305
   12    10 S   HC   HB12    12     1.09818   110.40704    69.07212
   13    10 S   CT   _CG1    13     1.53014   112.69022  -168.47569
   14    13 S   HC   HG11    14     1.09544   110.64522   -66.61782
   15    13 S   HC   HG12    15     1.09662   109.77910    52.62826
   16    13 S   C    _CD1    16     1.51830   112.06059   173.11510
   17    16 S   O    _OE1    17     1.22748   123.15426    10.33356
   18    16 S   N    _N2_    18     1.38632   111.80656  -170.07800
   19    18 S   H    _HN2    19     1.01574   119.03741     1.28131
   20    18 S   CT1  _CA2    20     1.46370   123.39052   178.46214
   21    20 S   HC   _HA2    21     1.09740   109.34697    -1.15080
   22    20 S   C    _C2_    22     1.53460   108.53558  -116.59815
   23    22 S   O    _O2_    23     1.23032   122.36467  -148.50733
   24    20 S   CT   _CB2    32     1.53414   111.39894   120.82411
   25    24 S   HC   HB21    33     1.09221   109.44749    59.17962
   26    24 S   HC   HB22    34     1.09531   110.37689   177.15490
   27    22 S   N    _N3_    24     1.38367   113.56539    38.97776
   28    27 S   H    _HN3    25     1.01602   119.48736    -3.48307
   29    24 S   S    _SG2    35     1.83065   110.45786   -64.18821
   30    27 S   CT   _CA3    26     1.45274   123.24271   177.08006
   31    30 S   HC   HA31    27     1.09548   107.52053   -64.34125
   32    30 S   HC   HA32    28     1.09556   107.97573    52.09785
   33    29 S   CT   _C22    36     1.91399   103.01034   147.29913
   34    30 S   CO3  _C3_    29     1.52961   114.06460   174.08361
   35    34 S   O2Z  _O31    30     1.26378   116.06164    -0.73913
   36    34 S   O2Z  _O32    31     1.26425   114.41879   179.32363
   37    33 S   CM   _C27    37     1.51278   104.40549    55.02877
   38    37 S   HC   _H37    38     1.08953   116.78207   -89.86077
   39    33 S   CT   _C21   103     1.55196   107.58705   -66.10168
   40    39 S   HC   _H31   104     1.09766   109.45492   172.19317
   41    39 S   HC   _H32   105     1.09476   112.10849    57.19919
   42    37 S   CMA  _C26    39     1.35117   124.79894    88.37135
   43    42 S   OM   _O33    40     1.26214   129.22398  -178.62513
   44    42 S   CT   _C25    41     1.53241   119.62553     2.08928
   45    44 S   HC   _H35    42     1.10116   108.52355   122.20288
   46    44 S   HC   _H36    43     1.09993   110.01575  -122.29396
   47    44 S   CT   _C24    44     1.54511   117.39156     0.95920
   48    47 S   HC   _H33    45     1.09726   107.83784   149.91947
   49    47 S   HC   _H34    46     1.09632   109.03024   -96.66971
   50    33 S   CT   _C23    47     1.59451   111.55527   173.57264
   51    50 S   CT   _C18    48     1.57158   108.11688    62.27095
   52    51 S   HC   _H7_    49     1.09023   105.02438   -58.05353
   53    50 S   CT   _C28   110     1.56245   112.65962  -176.64275
   54    53 S   HC   _H38   111     1.09139   113.55305   -56.97060
   55    53 S   HC   _H39   112     1.09572   110.67597  -177.75406
   56    53 S   HC   _H40   113     1.09369   112.92561    63.11467
   57    51 S   CT   _C17    50     1.53644   118.17304  -173.09257
   58    57 S   HC   _H27    51     1.09438   111.53115    45.86050
   59    57 S   HC   _H28    52     1.09684   109.96750   -72.25966
   60    57 S   CT   _C16    53     1.55240   111.54280   166.63572
   61    60 S   HC   _H25    54     1.09159   106.95952   158.43899
   62    60 S   HC   _H26    55     1.09788   108.22041   -89.37408
   63    60 S   CT   _C15    56     1.55314   114.32120    32.87810
   64    63 S   CT   _C14    57     1.54108   109.82914    24.99283
   65    64 S   HC   _H6_    58     1.09989   106.64914    58.80680
   66    63 S   CT   _C29   106     1.56162   108.70717   -98.50671
   67    66 S   HC   _H41   107     1.09451   112.35410  -176.66287
   68    66 S   HC   _H42   108     1.08893   114.10544    62.20062
   69    66 S   HC   _H43   109     1.09692   110.14828   -58.13358
   70    64 S   CT   _C13    59     1.51858   104.37485   169.25754
   71    70 S   HC   _H23    60     1.09471   112.24724  -161.11600
   72    70 S   HC   _H24    61     1.09431   112.22520    77.49194
   73    51 S   CT   _C19    98     1.55783   110.92416    59.46120
   74    73 S   HC   _H8_    99     1.09749   107.81604    55.05951
   75    70 S   CT   _C12    62     1.53389   102.87014   -41.33640
   76    75 S   HC   _H21    63     1.09526   110.42845   144.49420
   77    75 S   HC   _H22    64     1.09393   109.29655   -98.48505
   78    73 S   CT   _C20   100     1.52913   111.32828   -58.92726
   79    78 S   HC   _H29   101     1.09451   110.39124   -69.05358
   80    78 S   HC   _H30   102     1.09649   110.01537   173.77376
   81    63 S   CT   _C11    65     1.57497   118.53474   141.21381
   82    81 S   HC   _H5_    66     1.10024   107.31744    99.27267
   83    81 S   CT   _C9_    67     1.56080   119.51925   -19.19346
   84    83 S   HC   _H4_    68     1.09771   106.91398    56.70592
   85    83 S   CT   _C10    69     1.53998   109.51407   171.05021
   86    85 S   HC   _H18    70     1.09457   111.71631    72.61893
   87    85 S   HC   _H19    71     1.09402   111.32114  -166.63139
   88    85 S   HC   _H20    72     1.09544   110.98706   -48.00708
   89    83 S   CT   _C8_    73     1.54690   114.97662   -63.49520
   90    89 S   HC   _H16    74     1.09558   110.53673   -69.32820
   91    89 S   HC   _H17    75     1.08878   108.77394    47.99053
   92    89 S   CT   _C7_    76     1.53714   113.43552   167.96122
   93    92 S   HC   _H14    77     1.09377   108.12452    58.24605
   94    92 S   HC   _H15    78     1.09662   109.39890   -57.39658
   95    92 S   CT   _C6_    79     1.55344   114.50674   178.79018
   96    95 S   HC   _H3_    80     1.09962   106.61267   -64.19282
   97    95 S   CT   _C5_    81     1.55038   110.41535   179.81129
   98    97 S   HC   _H12    82     1.09470   109.80110  -179.54544
   99    97 S   HC   _H13    83     1.09593   110.28421   -62.01030
  100    95 S   CT   _C30    88     1.56216   113.52362    52.71066
  101   100 S   HC   _H44    89     1.09666   107.82394   -58.56470
  102    97 S   CT   _C4_    84     1.52450   114.13084    60.54104
  103   102 S   HC   _H9_    85     1.09361   111.72361   -69.69791
  104   102 S   HC   _H10    86     1.09507   109.89754   171.42320
  105   102 S   HC   _H11    87     1.09439   111.12814    51.95873
  106   100 S   CT   _C31    90     1.53402   112.46802  -174.10385
  107   106 S   HC   _H45    91     1.09426   112.14595   -72.43861
  108   106 S   HC   _H46    92     1.09585   110.25683   168.23094
  109   106 S   HC   _H47    93     1.09484   110.97575    49.14357
  110   100 S   CT   _C32    94     1.53119   113.81620    60.55122
  111   110 S   HC   _H48    95     1.09434   111.73899    63.78132
  112   110 S   HC   _H49    96     1.09359   111.66409   -57.63517
  113   110 S   HC   _H50    97     1.09580   110.37919  -176.65965
  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
  23   2   1   1  14   5  13   6   5   8   4   8   5   4  11   4
   3  14  20   9   5   2   1   1  12   6   5  15   5   4  21  19
   9   9   3   2   1  11   6   5   6   3   8   4   3   2   1   1
  11   4  12   8   7   3   2   1   9   5   4  12   5   4  18   8
  10   6   5  10   8   3   2   1   1   7   3   2   1   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    78    39    40    41    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    57    73    78    79    80    39    40    41    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    78    39    40    41    53  
   42    43    44    50    39  
   40    41    53    42    47    50    51    64    73    74    78    79    80  
   41    50    73    78    79    80  
   50    73    78    79    80  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    57    73    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    59    60    64    73    74    78    53    54    55    56  
   52    57    58    59    60    61    62    63    64    65    70    73    74    78    79    80    53    54    55    56  
   57    58    59    60    64    73    74    78    53  
   54    55    56    57    73  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    81    73    74    78    66  
   59    60    61    62    63    73  
   60    61    62    63    73  
   61    62    63    64    65    70    75    81    82    83    73    66    67    68    69  
   62    63    64    81    66  
   63    64    81    66  
   64    65    70    71    72    75    76    77    81    82    83    84    85    89    73    74    78    66    67    68    69  
   65    70    71    72    75    76    77    81    82    83    73    74    78    79    80    66    67    68    69  
   70    71    72    75    81    73    74    78    66  
   67    68    69    70    73    75    81    82    83  
   68    69    81  
   69    81  
   81  
   71    72    75    76    77    81    82    83    73    74    78  
   72    75    76    77    81    73  
   75    76    77    81    73  
   74    78    79    80    75    81  
   78    79    80  
   76    77    81    82    83    84    85    89  
   77    81    82    83  
   81    82    83  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89    90    91    92  
   83    84    85    89  
   84    85    86    87    88    89    90    91    92    93    94    95  
   85    86    87    88    89    90    91    92  
   86    87    88    89    90    91    92  
   87    88    89  
   88    89  
   89  
   90    91    92    93    94    95    96    97   100  
   91    92    93    94    95  
   92    93    94    95  
   93    94    95    96    97    98    99   102   100   101   106   110  
   94    95    96    97   100  
   95    96    97   100  
   96    97    98    99   102   103   104   105   100   101   106   107   108   109   110   111   112   113  
   97    98    99   102   100   101   106   110  
   98    99   102   103   104   105   100   101   106   110  
   99   102   103   104   105   100  
  102   103   104   105   100  
  101   106   107   108   109   110   111   112   113   102  
  106   107   108   109   110   111   112   113  
  103   104   105  
  104   105  
  105  
    0  
  107   108   109   110   111   112   113  
  108   109   110  
  109   110  
  110  
  111   112   113  
  112   113  
  113  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   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    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   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    73   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   268.000  1.529
   63    81   268.000  1.529
   63    66   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    73   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    89   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   268.000  1.529
   95    96   340.000  1.090
   95    97   268.000  1.529
   95   100   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  100   101   340.000  1.090
  100   106   268.000  1.529
  100   110   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   73    74   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    78    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    73    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   51    73    64    58.35000  112.70000
   51    73    74    37.50000  110.70000
   51    73    78    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    58.35000  112.70000
   60    63    81    58.35000  112.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    70    58.35000  112.70000
   63    64    73    58.35000  112.70000
   63    81    75    58.35000  112.70000
   63    81    82    37.50000  110.70000
   63    81    83    58.35000  112.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    75    58.35000  112.70000
   64    73    74    37.50000  110.70000
   64    73    78    58.35000  112.70000
   70    64    65    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    81    58.35000  112.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    58.35000  112.70000
   77    75    76    33.00000  107.80000
   81    63    64    58.35000  112.70000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    83    84    37.50000  110.70000
   81    83    85    58.35000  112.70000
   81    83    89    58.35000  112.70000
   83    81    82    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    87    37.50000  110.70000
   83    85    88    37.50000  110.70000
   83    89    90    37.50000  110.70000
   83    89    91    37.50000  110.70000
   83    89    92    58.35000  112.70000
   85    83    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    83    84    37.50000  110.70000
   89    83    85    58.35000  112.70000
   89    92    93    37.50000  110.70000
   89    92    94    37.50000  110.70000
   89    92    95    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   92    95    96    37.50000  110.70000
   92    95    97    58.35000  112.70000
   92    95   100    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    37.50000  110.70000
   95    92    94    37.50000  110.70000
   95    97    98    37.50000  110.70000
   95    97    99    37.50000  110.70000
   95    97   102    58.35000  112.70000
   95   100   101    37.50000  110.70000
   95   100   106    58.35000  112.70000
   95   100   110    58.35000  112.70000
   97    95    96    37.50000  110.70000
   97   102   103    37.50000  110.70000
   97   102   104    37.50000  110.70000
   97   102   105    37.50000  110.70000
   99    97    98    33.00000  107.80000
  102    97    98    37.50000  110.70000
  102    97    99    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  100    95    96    37.50000  110.70000
  100    95    97    58.35000  112.70000
  100   106   107    37.50000  110.70000
  100   106   108    37.50000  110.70000
  100   106   109    37.50000  110.70000
  100   110   111    37.50000  110.70000
  100   110   112    37.50000  110.70000
  100   110   113    37.50000  110.70000
  106   100   101    37.50000  110.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  110   100   101    37.50000  110.70000
  110   100   106    58.35000  112.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   73    51    52    37.50000  110.70000
   73    51    57    58.35000  112.70000
   73    64    65    37.50000  110.70000
   73    64    70    58.35000  112.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    39    58.35000  112.70000
   78    73    74    37.50000  110.70000
   78    39    40    37.50000  110.70000
   78    39    41    37.50000  110.70000
   80    78    79    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    78    79    37.50000  110.70000
   39    78    80    37.50000  110.70000
   41    39    40    33.00000  107.80000
   66    63    64    58.35000  112.70000
   66    63    81    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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
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   81    83    85    88   0.15000  1.0 3.0
   81    83    89    90   0.15000  1.0 3.0
   81    83    89    91   0.15000  1.0 3.0
   81    83    89    92   0.56750  1.0 1.0
   81    83    89    92  -0.07550 -1.0 2.0
   81    83    89    92   0.20000  1.0 3.0
   82    81    83    84   0.15000  1.0 3.0
   82    81    83    85   0.15000  1.0 3.0
   82    81    83    89   0.15000  1.0 3.0
   83    89    92    93   0.15000  1.0 3.0
   83    89    92    94   0.15000  1.0 3.0
   83    89    92    95   0.56750  1.0 1.0
   83    89    92    95  -0.07550 -1.0 2.0
   83    89    92    95   0.20000  1.0 3.0
   84    83    85    86   0.15000  1.0 3.0
   84    83    85    87   0.15000  1.0 3.0
   84    83    85    88   0.15000  1.0 3.0
   84    83    89    90   0.15000  1.0 3.0
   84    83    89    91   0.15000  1.0 3.0
   84    83    89    92   0.15000  1.0 3.0
   85    83    89    90   0.15000  1.0 3.0
   85    83    89    91   0.15000  1.0 3.0
   85    83    89    92   0.56750  1.0 1.0
   85    83    89    92  -0.07550 -1.0 2.0
   85    83    89    92   0.20000  1.0 3.0
   89    83    85    86   0.15000  1.0 3.0
   89    83    85    87   0.15000  1.0 3.0
   89    83    85    88   0.15000  1.0 3.0
   89    92    95    96   0.15000  1.0 3.0
   89    92    95    97   0.56750  1.0 1.0
   89    92    95    97  -0.07550 -1.0 2.0
   89    92    95    97   0.20000  1.0 3.0
   89    92    95   100   0.56750  1.0 1.0
   89    92    95   100  -0.07550 -1.0 2.0
   89    92    95   100   0.20000  1.0 3.0
   90    89    92    93   0.15000  1.0 3.0
   90    89    92    94   0.15000  1.0 3.0
   90    89    92    95   0.15000  1.0 3.0
   91    89    92    93   0.15000  1.0 3.0
   91    89    92    94   0.15000  1.0 3.0
   91    89    92    95   0.15000  1.0 3.0
   92    95    97    98   0.15000  1.0 3.0
   92    95    97    99   0.15000  1.0 3.0
   92    95    97   102   0.56750  1.0 1.0
   92    95    97   102  -0.07550 -1.0 2.0
   92    95    97   102   0.20000  1.0 3.0
   92    95   100   101   0.15000  1.0 3.0
   92    95   100   106   0.56750  1.0 1.0
   92    95   100   106  -0.07550 -1.0 2.0
   92    95   100   106   0.20000  1.0 3.0
   92    95   100   110   0.56750  1.0 1.0
   92    95   100   110  -0.07550 -1.0 2.0
   92    95   100   110   0.20000  1.0 3.0
   93    92    95    96   0.15000  1.0 3.0
   93    92    95    97   0.15000  1.0 3.0
   93    92    95   100   0.15000  1.0 3.0
   94    92    95    96   0.15000  1.0 3.0
   94    92    95    97   0.15000  1.0 3.0
   94    92    95   100   0.15000  1.0 3.0
   95    97   102   103   0.15000  1.0 3.0
   95    97   102   104   0.15000  1.0 3.0
   95    97   102   105   0.15000  1.0 3.0
   95   100   106   107   0.15000  1.0 3.0
   95   100   106   108   0.15000  1.0 3.0
   95   100   106   109   0.15000  1.0 3.0
   95   100   110   111   0.15000  1.0 3.0
   95   100   110   112   0.15000  1.0 3.0
   95   100   110   113   0.15000  1.0 3.0
   96    95    97    98   0.15000  1.0 3.0
   96    95    97    99   0.15000  1.0 3.0
   96    95    97   102   0.15000  1.0 3.0
   96    95   100   101   0.15000  1.0 3.0
   96    95   100   106   0.15000  1.0 3.0
   96    95   100   110   0.15000  1.0 3.0
   97    95   100   101   0.15000  1.0 3.0
   97    95   100   106   0.56750  1.0 1.0
   97    95   100   106  -0.07550 -1.0 2.0
   97    95   100   106   0.20000  1.0 3.0
   97    95   100   110   0.56750  1.0 1.0
   97    95   100   110  -0.07550 -1.0 2.0
   97    95   100   110   0.20000  1.0 3.0
   98    97   102   103   0.15000  1.0 3.0
   98    97   102   104   0.15000  1.0 3.0
   98    97   102   105   0.15000  1.0 3.0
   99    97   102   103   0.15000  1.0 3.0
   99    97   102   104   0.15000  1.0 3.0
   99    97   102   105   0.15000  1.0 3.0
  100    95    97    98   0.15000  1.0 3.0
  100    95    97    99   0.15000  1.0 3.0
  100    95    97   102   0.56750  1.0 1.0
  100    95    97   102  -0.07550 -1.0 2.0
  100    95    97   102   0.20000  1.0 3.0
  101   100   106   107   0.15000  1.0 3.0
  101   100   106   108   0.15000  1.0 3.0
  101   100   106   109   0.15000  1.0 3.0
  101   100   110   111   0.15000  1.0 3.0
  101   100   110   112   0.15000  1.0 3.0
  101   100   110   113   0.15000  1.0 3.0
  106   100   110   111   0.15000  1.0 3.0
  106   100   110   112   0.15000  1.0 3.0
  106   100   110   113   0.15000  1.0 3.0
  110   100   106   107   0.15000  1.0 3.0
  110   100   106   108   0.15000  1.0 3.0
  110   100   106   109   0.15000  1.0 3.0
   73    51    57    58   0.15000  1.0 3.0
   73    51    57    59   0.15000  1.0 3.0
   73    51   -57    60   0.56750  1.0 1.0
   73    51   -57    60  -0.07550 -1.0 2.0
   73    51   -57    60   0.20000  1.0 3.0
   73    64    70    71   0.15000  1.0 3.0
   73    64    70    72   0.15000  1.0 3.0
   73    64    70    75   0.56750  1.0 1.0
   73    64    70    75  -0.07550 -1.0 2.0
   73    64    70    75   0.20000  1.0 3.0
   73    78   -39    33   0.56750  1.0 1.0
   73    78   -39    33  -0.07550 -1.0 2.0
   73    78   -39    33   0.20000  1.0 3.0
   73    78    39    40   0.15000  1.0 3.0
   73    78    39    41   0.15000  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    39   0.15000  1.0 3.0
   79    78    39    33   0.15000  1.0 3.0
   79    78    39    40   0.15000  1.0 3.0
   79    78    39    41   0.15000  1.0 3.0
   80    78    39    33   0.15000  1.0 3.0
   80    78    39    40   0.15000  1.0 3.0
   80    78    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33   -50    51   0.56750  1.0 1.0
   39    33   -50    51  -0.07550 -1.0 2.0
   39    33   -50    51   0.20000  1.0 3.0
   39    33    50    53   0.56750  1.0 1.0
   39    33    50    53  -0.07550 -1.0 2.0
   39    33    50    53   0.20000  1.0 3.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    70   0.56750  1.0 1.0
   66    63    64    70  -0.07550 -1.0 2.0
   66    63    64    70   0.20000  1.0 3.0
   66    63    64    73   0.56750  1.0 1.0
   66    63    64    73  -0.07550 -1.0 2.0
   66    63    64    73   0.20000  1.0 3.0
   66    63    81    75   0.56750  1.0 1.0
   66    63    81    75  -0.07550 -1.0 2.0
   66    63    81    75   0.20000  1.0 3.0
   66    63    81    82   0.15000  1.0 3.0
   66    63    81    83   0.56750  1.0 1.0
   66    63    81    83  -0.07550 -1.0 2.0
   66    63    81    83   0.20000  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    73   0.56750  1.0 1.0
   53    50    51    73  -0.07550 -1.0 2.0
   53    50    51    73   0.20000  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
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
END
