* LIGAND DATABASE FILE (OPLS2005)
*
001     108   111    211    340     635
    1     0 S   NP   _N1_     1    29.60564    91.89510   -27.52903
    2     1 S   H    _HN1     2     1.02950    97.29969    12.28183
    3     1 S   H    _H1_     3     1.02828    16.05450  -116.41868
    4     1 S   H    _H2_     4     1.02787   123.69954  -105.57104
    5     1 S   CT   _CA1     5     1.50113   103.67767   125.41394
    6     5 S   HC   _HA1     6     1.09573   105.19757    74.34230
    7     5 S   CO3  _C1_     7     1.53787   112.47521   -45.90215
    8     7 S   O2Z  _O11     8     1.26372   115.00308   -42.22951
    9     7 S   O2Z  _O12     9     1.26241   114.95231   136.91437
   10     5 S   CT   _CB1    10     1.53080   107.42164  -167.66100
   11    10 S   HC   HB11    11     1.09833   109.37428   -49.63856
   12    10 S   HC   HB12    12     1.09814   110.44196    66.96939
   13    10 S   CT   _CG1    13     1.52994   112.61115  -170.61334
   14    13 S   HC   HG11    14     1.09581   110.63565   -65.63634
   15    13 S   HC   HG12    15     1.09670   109.78162    53.59892
   16    13 S   C    _CD1    16     1.51799   112.22121   174.06234
   17    16 S   O    _OE1    17     1.22729   123.26483     6.98269
   18    16 S   N    _N2_    18     1.38646   111.67132  -173.02270
   19    18 S   H    _HN2    19     1.01564   118.93501     1.91908
   20    18 S   CT1  _CA2    20     1.46259   123.45872   177.78769
   21    20 S   HC   _HA2    21     1.09737   109.38843     5.18920
   22    20 S   C    _C2_    22     1.53605   108.40257  -110.33393
   23    22 S   O    _O2_    23     1.23058   122.38000  -145.78309
   24    20 S   CT   _CB2    32     1.53523   111.62898   127.25181
   25    24 S   HC   HB21    33     1.09486   109.41423    56.37908
   26    24 S   HC   HB22    34     1.09334   109.54892   175.27192
   27    22 S   N    _N3_    24     1.38363   113.69752    41.48620
   28    27 S   H    _HN3    25     1.01568   119.60968    -2.85581
   29    24 S   S    _SG2    35     1.83111   111.02612   -63.95518
   30    27 S   CT   _CA3    26     1.45285   123.19871   177.29709
   31    30 S   HC   HA31    27     1.09549   107.47236   -65.52859
   32    30 S   HC   HA32    28     1.09557   108.03033    50.91618
   33    29 S   CT   _C20    36     1.93287   102.86635  -170.59763
   34    30 S   CO3  _C3_    29     1.52963   114.09168   172.94203
   35    34 S   O2Z  _O31    30     1.26377   116.07650    -0.87111
   36    34 S   O2Z  _O32    31     1.26431   114.40577   179.19546
   37    33 S   CM   _C6_    37     1.52408   102.28835    66.63735
   38    37 S   HC   _H40    38     1.08848   117.86073   -89.89754
   39    33 S   CT   _C12    53     1.54391   106.06699   -52.41408
   40    39 S   HC   _H43    54     1.09677   110.89444    67.53506
   41    39 S   HC   _H44    55     1.09859   109.70256   -49.63782
   42    37 S   CMA  _C7_    39     1.35151   123.15907    87.11475
   43    42 S   OM   _O29    40     1.25926   130.97082  -176.65865
   44    42 S   CM   _C4_    41     1.46448   117.58731     3.86092
   45    44 S   HC   _H38    42     1.08873   119.15575  -166.45293
   46    44 S   CM   _C5_    43     1.34531   122.49784    16.75084
   47    46 S   HC   _H39    44     1.08697   118.54863   176.00419
   48    33 S   CT   _C19    45     1.61643   112.27285  -174.10272
   49    48 S   CT   _C23    46     1.63405   112.21680   165.00414
   50    49 S   Cl   CL37    47     1.85922   109.62619    67.00819
   51    48 S   CT   _C25   105     1.55937   109.39349    41.83721
   52    51 S   HC   _H56   106     1.09314   112.23714    67.77406
   53    51 S   HC   _H57   107     1.09316   113.29882   -54.04708
   54    51 S   HC   _H58   108     1.09217   112.54900  -169.32659
   55    49 S   CT   _C15    48     1.57043   110.11544   -50.67353
   56    55 S   HC   _H49    49     1.09493   108.66713   -60.77805
   57    49 S   CT   _C18    68     1.57727   116.12494  -176.90838
   58    57 S   HC   _H52    69     1.09745   108.79983   -65.29173
   59    55 S   CT   _C11    50     1.53420   111.35372    56.18120
   60    59 S   HC   _H41    51     1.09679   109.60694  -177.63379
   61    59 S   HC   _H42    52     1.09563   111.53639    65.57978
   62    55 S   CT   _C16    56     1.54374   111.30897  -179.42836
   63    62 S   HC   _H50    57     1.09926   107.05910   -61.91575
   64    57 S   OH   _O35    70     1.42161   112.76783    51.53343
   65    64 S   HO   _H74    71     0.97248   107.94191  -172.26323
   66    62 S   CT   _C13    58     1.52247   118.64220   179.70658
   67    66 S   HC   _H45    59     1.09556   111.58904   -49.39267
   68    66 S   HC   _H46    60     1.09541   112.01528    71.02121
   69    66 S   CT   _C17    61     1.54994   103.24809  -170.16281
   70    69 S   HC   _H51    62     1.09804   105.47029   -95.44116
   71    69 S   CT   _C21    63     1.58513   106.54611    19.98466
   72    69 S   CT   _C24   101     1.52308   110.61183   150.34830
   73    72 S   HC   _H53   102     1.09359   112.28910   -61.07255
   74    72 S   HC   _H54   103     1.09436   111.04456   176.62246
   75    72 S   HC   _H55   104     1.09598   110.12617    58.11329
   76    62 S   CT   _C22    64     1.54788   114.12809    58.45635
   77    71 S   CO4  _C8_    76     1.55438   118.48840   133.16666
   78    77 S   O    _O30    77     1.23234   122.24759   -28.62274
   79    71 S   OS   _O36    91     1.45896   107.46998  -102.90943
   80    76 S   CT   _C14    65     1.55036   107.37524   -58.78747
   81    80 S   HC   _H47    66     1.09512   110.46740   -67.89119
   82    80 S   HC   _H48    67     1.09621   109.11955   175.73483
   83    76 S   CT   _C26    72     1.55612   112.75338    62.37291
   84    83 S   HC   _H59    73     1.09335   112.74914    70.45879
   85    83 S   HC   _H60    74     1.09132   113.34974   -49.58385
   86    83 S   HC   _H61    75     1.09621   110.64757  -169.94705
   87    77 S   CT   _C29    78     1.52377   117.74955   154.03886
   88    87 S   HC   _H68    79     1.09126   110.13622    39.89331
   89    87 S   HC   _H69    80     1.09351   108.87172   -81.78909
   90    79 S   CO4  _C9_    92     1.36602   120.45179   -65.35922
   91    90 S   O    _O33    93     1.22242   125.86601    -1.84949
   92    87 S   OS   _O37    81     1.43025   108.62155   159.44074
   93    90 S   CT   _C30    94     1.50976   108.75361   178.58418
   94    93 S   HC   _H70    95     1.09514   108.43758   -59.43369
   95    93 S   HC   _H71    96     1.09517   108.43040    58.96249
   96    92 S   CO4  _C10    82     1.36515   115.29258  -179.62991
   97    96 S   O    _O34    83     1.22315   125.69066     0.16313
   98    93 S   CT   _C27    97     1.51836   112.05651   179.74056
   99    98 S   HC   _H62    98     1.09511   111.03367   -59.96971
  100    98 S   HC   _H63    99     1.09510   111.04285    59.94707
  101    98 S   HC   _H64   100     1.09430   110.39541   180.00000
  102    96 S   CT   _C31    84     1.51027   108.97025  -179.88465
  103   102 S   HC   _H72    85     1.09512   108.45037   -59.19046
  104   102 S   HC   _H73    86     1.09512   108.45420    59.21665
  105   102 S   CT   _C28    87     1.51861   112.09201  -179.98022
  106   105 S   HC   _H65    88     1.09509   111.04434   -59.96535
  107   105 S   HC   _H66    89     1.09509   111.04423    59.95789
  108   105 S   HC   _H67    90     1.09431   110.39077   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  12   5   4   3
  22   2   1   1  13   5  13   6   5   6   3   6   3  10   3  14
  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8   5
   1  14   6   5  14   8  22   6   2   1   1  12  10   5   9   6
   2   1   3   2   1   1   6   3   2   8   4   6   6   5   4   8
   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    48    49    59    39    40    41    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    55    59    60    61    39    40    41    57    51    52    53    54  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    59    39    40    41    51  
   42    43    44    48    39  
   40    41    62    51    42    46    48    49    55    56    59    60    61  
   41    48    55    59    60    61  
   48    55    59    60    61  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49    51  
   46    47    48  
   47    48    49    50    55    57    51    52    53    54  
   48    49    51  
   49    50    55    56    59    62    80    57    58    64    51    52    53    54  
   50    55    56    59    60    61    62    63    66    76    80    81    82    57    58    64    65    51    52    53    54  
   55    56    59    62    80    57    58    64    51  
   52    53    54    55    57  
   53    54  
   54  
    0  
   56    59    60    61    62    63    66    67    68    69    71    76    80    57    58    64    83  
   59    60    61    62    63    66    76    57  
   58    64    65    83    59    62    71    76    80    81    82  
   64    65    76    80    81    82  
   60    61    62    63    66    76  
   61    62  
   62  
   63    66    67    68    69    70    71    76    80    81    82    83    84    85    86    77    79    72  
   66    67    68    69    71    76    80    83  
   65    76    80    81    82  
   80  
   67    68    69    70    71    76    80    83    77    79    72    73    74    75  
   68    69    70    71    76    72  
   69    70    71    76    72  
   70    71    76    80    83    77    78    87    79    90    72    73    74    75  
   71    76    77    79    72    73    74    75  
   76    80    81    82    83    84    85    86    77    78    87    88    89    92    79    90    91    93    72    73    74    75  
   73    74    75    76    77    79  
   74    75  
   75  
    0  
   80    81    82    83    84    85    86    77    78    87    79    90  
   78    87    88    89    92    96    79    90    80    83  
   87    88    89    92    79  
   90    91    93    94    95    98    80    83    87  
   81    82    83    84    85    86  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    0  
   88    89    92    96    97   102  
   89    92    96  
   92    96  
   91    93    94    95    98    99   100   101  
   93    94    95    98  
   96    97   102   103   104   105  
   94    95    98    99   100   101  
   95    98    99   100   101  
   98    99   100   101  
   97   102   103   104   105   106   107   108  
  102   103   104   105  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107   108  
  104   105   106   107   108  
  105   106   107   108  
  106   107   108  
  107   108  
  108  
    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   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   51   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.7500   0.1050   0.374000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
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    48   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   465.000  1.376
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   340.000  1.080
   46    48   317.000  1.510
   48    49   268.000  1.529
   48    51   268.000  1.529
   49    50   245.000  1.781
   49    55   268.000  1.529
   49    57   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    76   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    72   268.000  1.529
   71    76   268.000  1.529
   71    77   317.000  1.522
   71    79   320.000  1.410
   76    80   268.000  1.529
   76    83   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    57   268.000  1.529
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    65   553.000  0.945
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   77    78   570.000  1.229
   77    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    92   320.000  1.410
   92    96   214.000  1.327
   96    97   570.000  1.229
   96   102   317.000  1.522
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   79    90   214.000  1.327
   90    91   570.000  1.229
   90    93   317.000  1.522
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    48    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    48    46    70.00000  112.02700
   33    48    49    58.35000  112.70000
   33    48    51    58.35000  112.70000
   33    39    59    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    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    44    45    40.00000  120.50800
   42    44    46    70.00000  117.34000
   44    42    43    65.00000  137.10300
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  124.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.02700
   46    48    51    70.00000  112.02700
   48    33    37    70.00000  112.02700
   48    46    47    35.00000  117.00000
   48    49    50    69.00000  109.80000
   48    49    55    58.35000  112.70000
   48    49    57    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    55    62    58.35000  112.70000
   49    57    80    58.35000  112.70000
   49    57    58    37.50000  110.70000
   49    57    64    50.00000  109.50000
   55    49    50    69.00000  109.80000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    39    58.35000  112.70000
   55    62    63    37.50000  110.70000
   55    62    66    58.35000  112.70000
   55    62    76    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    39    40    37.50000  110.70000
   59    39    41    37.50000  110.70000
   61    59    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    59    60    37.50000  110.70000
   39    59    61    37.50000  110.70000
   41    39    40    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    59    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    58.35000  112.70000
   62    76    71    58.35000  112.70000
   62    76    80    58.35000  112.70000
   62    76    83    58.35000  112.70000
   66    62    63    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    76    58.35000  112.70000
   69    71    77    63.00000  111.10000
   69    71    79    50.00000  109.50000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    37.50000  110.70000
   71    69    70    37.50000  110.70000
   71    76    80    58.35000  112.70000
   71    76    83    58.35000  112.70000
   71    77    78    80.00000  120.40000
   71    77    87    70.00000  116.00000
   71    79    90    83.00000  116.90000
   76    62    63    37.50000  110.70000
   76    62    66    58.35000  112.70000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    57    58.35000  112.70000
   76    83    84    37.50000  110.70000
   76    83    85    37.50000  110.70000
   76    83    86    37.50000  110.70000
   80    57    58    37.50000  110.70000
   80    57    64    50.00000  109.50000
   82    80    81    33.00000  107.80000
   57    49    50    69.00000  109.80000
   57    49    55    58.35000  112.70000
   57    80    81    37.50000  110.70000
   57    80    82    37.50000  110.70000
   57    64    65    55.00000  108.50000
   64    57    58    35.00000  109.50000
   83    76    80    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   77    71    76    63.00000  111.10000
   77    87    88    35.00000  109.50000
   77    87    89    35.00000  109.50000
   77    87    92    90.00000  108.74100
   87    77    78    80.00000  120.40000
   87    92    96    83.00000  116.90000
   89    87    88    33.00000  107.80000
   92    87    88    35.00000  109.50000
   92    87    89    35.00000  109.50000
   92    96    97    83.00000  123.40000
   92    96   102    81.00000  111.40000
   96   102   103    35.00000  109.50000
   96   102   104    35.00000  109.50000
   96   102   105    63.00000  111.10000
  102    96    97    80.00000  120.40000
  102   105   106    37.50000  110.70000
  102   105   107    37.50000  110.70000
  102   105   108    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   79    71    76    50.00000  109.50000
   79    71    77    90.00000  108.74100
   79    90    91    83.00000  123.40000
   79    90    93    81.00000  111.40000
   90    93    94    35.00000  109.50000
   90    93    95    35.00000  109.50000
   90    93    98    63.00000  111.10000
   93    90    91    80.00000  120.40000
   93    98    99    37.50000  110.70000
   93    98   100    37.50000  110.70000
   93    98   101    37.50000  110.70000
   95    93    94    33.00000  107.80000
   98    93    94    37.50000  110.70000
   98    93    95    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   51    48    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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
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   80    57    64    65  -0.11600  1.0 1.0
   80    57    64    65  -0.09450 -1.0 2.0
   80    57    64    65   0.21250  1.0 3.0
   81    80    57    49   0.15000  1.0 3.0
   81    80    57    58   0.15000  1.0 3.0
   81    80    57    64   0.23400  1.0 3.0
   82    80    57    49   0.15000  1.0 3.0
   82    80    57    58   0.15000  1.0 3.0
   82    80    57    64   0.23400  1.0 3.0
   57    49    55    56   0.15000  1.0 3.0
   57    49    55    59   0.56750  1.0 1.0
   57    49    55    59  -0.07550 -1.0 2.0
   57    49    55    59   0.20000  1.0 3.0
   57    49   -55    62   0.56750  1.0 1.0
   57    49   -55    62  -0.07550 -1.0 2.0
   57    49   -55    62   0.20000  1.0 3.0
   58    57    64    65   0.19450  1.0 3.0
   83    76    80    81   0.15000  1.0 3.0
   83    76    80    82   0.15000  1.0 3.0
   83    76    80    57   0.56750  1.0 1.0
   83    76    80    57  -0.07550 -1.0 2.0
   83    76    80    57   0.20000  1.0 3.0
   77    71    76    62  -0.95700  1.0 1.0
   77    71    76    62  -0.18200 -1.0 2.0
   77    71    76    62   0.29450  1.0 3.0
   77    71    76    80  -0.95700  1.0 1.0
   77    71    76    80  -0.18200 -1.0 2.0
   77    71    76    80   0.29450  1.0 3.0
   77    71    76    83  -0.95700  1.0 1.0
   77    71    76    83  -0.18200 -1.0 2.0
   77    71    76    83   0.29450  1.0 3.0
   77    71    79    90  -1.80650  1.0 1.0
   77    71    79    90   0.63900 -1.0 2.0
   77    71    79    90   0.03650  1.0 3.0
   77    87    92    96  -1.80650  1.0 1.0
   77    87    92    96   0.63900 -1.0 2.0
   77    87    92    96   0.03650  1.0 3.0
   78    77    87    88   0.00000  1.0 1.0
   78    77    87    89   0.00000  1.0 1.0
   78    77    87    92   0.30150 -1.0 2.0
   87    92    96    97   3.00000 -1.0 2.0
   87    92    96   102   1.63150  1.0 1.0
   87    92    96   102   2.92000 -1.0 2.0
   88    87    92    96   0.08050  1.0 3.0
   89    87    92    96   0.08050  1.0 3.0
   92    96   102   103   0.00000  1.0 1.0
   92    96   102   104   0.00000  1.0 1.0
   92    96   102   105   0.36750  1.0 3.0
   96   102   105   106  -0.11250  1.0 3.0
   96   102   105   107  -0.11250  1.0 3.0
   96   102   105   108  -0.11250  1.0 3.0
   97    96   102   103   0.00000  1.0 1.0
   97    96   102   104   0.00000  1.0 1.0
   97    96   102   105   0.30150 -1.0 2.0
  103   102   105   106   0.15000  1.0 3.0
  103   102   105   107   0.15000  1.0 3.0
  103   102   105   108   0.15000  1.0 3.0
  104   102   105   106   0.15000  1.0 3.0
  104   102   105   107   0.15000  1.0 3.0
  104   102   105   108   0.15000  1.0 3.0
   79    71    76    62   0.62750  1.0 1.0
   79    71    76    62  -0.30950 -1.0 2.0
   79    71    76    62   0.27300  1.0 3.0
   79    71    76    80   0.62750  1.0 1.0
   79    71    76    80  -0.30950 -1.0 2.0
   79    71    76    80   0.27300  1.0 3.0
   79    71    76    83   0.62750  1.0 1.0
   79    71    76    83  -0.30950 -1.0 2.0
   79    71    76    83   0.27300  1.0 3.0
   79    71    77    78   0.30150 -1.0 2.0
   79    71    77    87   0.55300  1.0 1.0
   79    71    77    87   1.25850 -1.0 2.0
   79    71    77    87  -0.23600  1.0 3.0
   79    90    93    94   0.00000  1.0 1.0
   79    90    93    95   0.00000  1.0 1.0
   79    90    93    98   0.36750  1.0 3.0
   90    93    98    99  -0.11250  1.0 3.0
   90    93    98   100  -0.11250  1.0 3.0
   90    93    98   101  -0.11250  1.0 3.0
   91    90    93    94   0.00000  1.0 1.0
   91    90    93    95   0.00000  1.0 1.0
   91    90    93    98   0.30150 -1.0 2.0
   94    93    98    99   0.15000  1.0 3.0
   94    93    98   100   0.15000  1.0 3.0
   94    93    98   101   0.15000  1.0 3.0
   95    93    98    99   0.15000  1.0 3.0
   95    93    98   100   0.15000  1.0 3.0
   95    93    98   101   0.15000  1.0 3.0
   72    69    71    76   0.56750  1.0 1.0
   72    69    71    76  -0.07550 -1.0 2.0
   72    69    71    76   0.20000  1.0 3.0
   72    69    71    77  -0.95700  1.0 1.0
   72    69    71    77  -0.18200 -1.0 2.0
   72    69    71    77   0.29450  1.0 3.0
   72    69    71    79   0.62750  1.0 1.0
   72    69    71    79  -0.30950 -1.0 2.0
   72    69    71    79   0.27300  1.0 3.0
   51    48    49    50   0.35600  1.0 1.0
   51    48    49    50  -0.14650 -1.0 2.0
   51    48    49    50   0.33350  1.0 3.0
   51    48    49    55   0.56750  1.0 1.0
   51    48    49    55  -0.07550 -1.0 2.0
   51    48    49    55   0.20000  1.0 3.0
   51    48    49    57   0.56750  1.0 1.0
   51    48    49    57  -0.07550 -1.0 2.0
   51    48    49    57   0.20000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  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
   42    45    44    46   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   71    87    77    78  10.50000 -1.0 2.0
   92   102    96    97  10.50000 -1.0 2.0
   79    93    90    91  10.50000 -1.0 2.0
END
