* LIGAND DATABASE FILE (OPLS2005)
*
001     112   114    208    296     593
    1     0 S   NP   _N1_     1    30.93214    95.54167   -28.49592
    2     1 S   H    _HN1     2     1.03110   139.84244   -57.54204
    3     1 S   H    _H1_     3     1.02924    52.55039    14.77737
    4     1 S   H    _H2_     4     1.02781    59.01686  -138.68532
    5     1 S   CT   _CA1     5     1.50142   107.85629   117.14078
    6     5 S   HC   _HA1     6     1.09559   105.19951   119.62051
    7     5 S   CO3  _C1_     7     1.53681   112.85033    -0.94585
    8     7 S   O2Z  _O11     8     1.26385   115.02661   -38.12416
    9     7 S   O2Z  _O12     9     1.26243   114.96432   141.17351
   10     5 S   CT   _CB1    10     1.52865   107.22831  -122.35551
   11    10 S   HC   HB11    11     1.09811   109.07591   -49.01503
   12    10 S   HC   HB12    12     1.09830   110.45765    67.28922
   13    10 S   CT   _CG1    13     1.53209   113.20716  -169.90827
   14    13 S   HC   HG11    14     1.09506   111.07392   -73.18013
   15    13 S   HC   HG12    15     1.09625   109.80471    46.59504
   16    13 S   C    _CD1    16     1.51676   110.32541   166.96299
   17    16 S   O    _OE1    17     1.22723   122.07570    26.04557
   18    16 S   N    _N2_    18     1.38411   112.67374  -153.55958
   19    18 S   H    _HN2    19     1.01605   118.85799    -6.23932
   20    18 S   CT1  _CA2    20     1.46259   123.47311   169.08976
   21    20 S   HC   _HA2    21     1.09231   108.70121   -20.50904
   22    20 S   C    _C2_    22     1.53532   107.70641  -133.56403
   23    22 S   O    _O2_    23     1.22936   122.83409  -145.00988
   24    20 S   CT   _CB2    32     1.53031   112.95759   102.54337
   25    24 S   HC   HB21    33     1.09620   109.79153    47.91826
   26    24 S   HC   HB22    34     1.09524   111.36402   165.58748
   27    22 S   N    _N3_    24     1.38490   112.72913    43.34736
   28    27 S   H    _HN3    25     1.01649   119.23973    -7.29842
   29    24 S   S    _SG2    35     1.83085   114.62652   -72.72537
   30    27 S   CT   _CA3    26     1.45290   123.60889   174.33483
   31    30 S   HC   HA31    27     1.09531   108.23176   -45.16876
   32    30 S   HC   HA32    28     1.09506   107.53193    71.43782
   33    29 S   CT   _C22    36     1.84021   100.33048   -68.08740
   34    33 S   HC   _H12    37     1.09658   106.47326   -34.39027
   35    30 S   CO3  _C3_    29     1.52976   113.41396  -167.79482
   36    35 S   O2Z  _O31    30     1.26416   115.74790   -20.91175
   37    35 S   O2Z  _O32    31     1.26352   114.67586   159.01577
   38    33 S   CT   _C21    38     1.53570   112.08603  -153.22479
   39    38 S   HC   _H11    39     1.09950   108.54937    63.69149
   40    33 S   OS   _O39    52     1.42419   110.93003    84.03185
   41    38 S   CT   _C14    40     1.53755   111.63328  -176.89360
   42    41 S   HC   _H10    41     1.10217   108.67246   157.84880
   43    38 S   CO4  _C23   106     1.52658   113.39064   -52.94165
   44    43 S   O    _O40   107     1.22579   123.02538   120.46889
   45    41 S   CT   _C15    42     1.53767   113.62944   -83.68905
   46    45 S   HC   _H18    43     1.09467   113.13407    35.34521
   47    45 S   HC   _H19    44     1.09432   110.78453   -87.25349
   48    43 S   OS   _O41   108     1.36175   111.53980   -60.31890
   49    45 S   CM   _C16    45     1.49326   102.19739   153.83273
   50    49 S   HC   _H20    46     1.08090   123.43534   164.80647
   51    48 S   CT   _C24   109     1.42976   115.60636   179.45824
   52    51 S   HC   _H26   110     1.09333   108.06737  -179.07380
   53    51 S   HC   _H27   111     1.09409   110.25590    62.23995
   54    51 S   HC   _H28   112     1.09419   110.31274   -60.40786
   55    49 S   CM   _C17    47     1.33981   111.74479   -17.61721
   56    41 S   CT   _C13    48     1.54517   114.95646    37.16673
   57    56 S   HC   _H9_    49     1.09744   108.58612    90.94218
   58    55 S   CT   _C18    96     1.49182   126.59710  -177.33391
   59    58 S   HC   _H21    97     1.09583   109.41180   110.60958
   60    58 S   HC   _H22    98     1.09556   111.04905    -9.32504
   61    56 S   CO   _C12    50     1.53707   114.66857   -32.55993
   62    61 S   HC   _H8_    51     1.09841   111.15789   -78.26629
   63    58 S   OS   _O37    99     1.43583   108.60068  -128.10022
   64    61 S   OS   _O36    53     1.43492   106.76543   162.98873
   65    63 S   CO4  _C19   100     1.36207   116.11322  -156.97440
   66    65 S   O    _O38   101     1.22341   126.39157    -2.19285
   67    64 S   CO   _C11    54     1.42990   113.36221   169.94574
   68    67 S   HC   _H7_    55     1.09325   108.91806    46.79804
   69    65 S   CT   _C20   102     1.49848   109.55330   179.01662
   70    69 S   HC   _H23   103     1.09318   110.01745   -51.22421
   71    69 S   HC   _H24   104     1.09374   109.33890  -169.81113
   72    69 S   HC   _H25   105     1.09255   109.72260    70.55279
   73    67 S   CT   _C10    56     1.53461   108.15799   165.54708
   74    73 S   HC   _H6_    57     1.09794   110.78986    52.65046
   75    73 S   CT   _C9_    58     1.53520   111.06623   174.36671
   76    75 S   HC   _H5_    59     1.09825   110.72799    73.62989
   77    73 S   OS   _O42    89     1.44845   108.47223   -68.17239
   78    75 S   CT   _C8_    60     1.53598   111.45095   -48.25319
   79    78 S   HC   _H4_    61     1.09814   109.92584   -70.42559
   80    75 S   OS   _O44    82     1.44923   108.23510  -166.57900
   81    77 S   CO4  _C25    90     1.36078   118.28666    95.08418
   82    81 S   O    _O43    91     1.22278   126.66392     2.88358
   83    78 S   CT   _C7_    62     1.53145   109.75991    50.46036
   84    83 S   HC   _H3_    63     1.09690   110.55989    61.56581
   85    78 S   OS   _O46    75     1.44404   108.73120   168.29179
   86    80 S   CO4  _C27    83     1.36152   118.50208   -98.59724
   87    86 S   O    _O45    84     1.22359   126.85467     0.23573
   88    81 S   CT   _C26    92     1.49850   109.25503  -176.78046
   89    88 S   HC   _H29    93     1.09314   109.88477   -57.61657
   90    88 S   HC   _H30    94     1.09369   109.37637  -176.58339
   91    88 S   HC   _H31    95     1.09294   109.74303    64.22059
   92    67 S   OS   _O35    64     1.42684   110.52323   -73.66643
   93    83 S   CT   _C6_    65     1.52914   112.42071  -177.75415
   94    93 S   HC   _H16    66     1.09609   110.66627    70.45372
   95    93 S   HC   _H17    67     1.09518   111.14831   -52.28810
   96    85 S   CO4  _C29    76     1.36073   118.30461    95.52007
   97    96 S   O    _O47    77     1.22301   126.54660     0.29342
   98    86 S   CT   _C28    85     1.49849   109.29735  -179.75691
   99    98 S   HC   _H32    86     1.09290   109.81952   -61.13626
  100    98 S   HC   _H33    87     1.09380   109.35840   179.81869
  101    98 S   HC   _H34    88     1.09296   109.82006    60.78578
  102    93 S   OS   _O34    68     1.44132   107.54756  -171.00422
  103    96 S   CT   _C30    78     1.49839   109.39958   179.98022
  104   103 S   HC   _H35    79     1.09269   109.78148   -64.52022
  105   103 S   HC   _H36    80     1.09375   109.35752   176.24871
  106   103 S   HC   _H37    81     1.09306   109.87593    57.39638
  107   102 S   CO4  _C5_    69     1.36137   115.76207   179.01662
  108   107 S   O    _O33    70     1.22323   126.28608     1.06404
  109   107 S   CT   _C4_    71     1.49839   109.50767  -178.62741
  110   109 S   HC   _H13    72     1.09305   109.88400   -57.69521
  111   109 S   HC   _H14    73     1.09374   109.36057  -176.59815
  112   109 S   HC   _H15    74     1.09274   109.78681    64.18633
  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   8   5   4   3
  14   6   2   1   1  16   8   9  16   9   8   2   9   5   4   4
   9   3   3   2   1   1  10   9   4   7   3   2   6   2   6   8
   5   4  13   6   3   2   1   1  14   7  15   7   9  14   7   8
   5   4   9   6   8   5   4   3   2   1   1   4   6   3   2   5
   4   3   2   1   1   6   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    61    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    56    61    62    40    64    43    44    48  
   38    39    41    61    40    43  
   36    37  
   37  
    0  
   39    41    42    45    46    47    49    55    56    57    61    40    43    44    48    51  
   41    42    45    56    40    43    44    48  
   64    67    43    41    55    56    57    61    62  
   42    45    46    47    49    50    55    56    57    61    62    64    58    43    44    48  
   45    46    47    49    55    56    57    61    43  
   44    48    51    52    53    54    45    56  
   48    51  
   46    47    49    50    55    56    57    61    58  
   47    49    50    55    56  
   49    50    55    56  
   51    52    53    54  
   50    55    56    57    61    58    59    60    63  
   55    56    58  
   52    53    54  
   53    54  
   54  
    0  
   56    57    61    62    64    58    59    60    63    65  
   57    61    62    64    67    58    59    60    63  
   61    62    64    58  
   59    60    63    65    66    69    61  
   60    63    65  
   63    65  
   62    64    67    68    73    92  
   64    67  
   65    66    69    70    71    72  
   67    68    73    74    75    83    92    77  
   66    69    70    71    72  
   69    70    71    72  
   68    73    74    75    76    78    83    84    92    93    80    77    81  
   73    74    75    83    92    77  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    78    79    83    92    85    80    86    77    81    82    88  
   75    76    78    92    80    77    81  
   76    78    79    83    84    92    93    85    96    80    86    87    98    77    81  
   78    79    83    85    80    86    77  
   81    82    88    89    90    91    78    80    92  
   79    83    84    92    93    94    95   102    85    96    97   103    80    86  
   83    84    92    93    85    96    80  
   86    87    98    99   100   101    83    85  
   82    88    89    90    91  
   88    89    90    91  
   84    92    93    94    95   102   107    85    96  
   92    93    94    95   102    85  
   96    97   103   104   105   106    92    93  
   87    98    99   100   101  
   98    99   100   101  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95   102  
   94    95   102   107   108   109  
   95   102   107  
  102   107  
   97   103   104   105   106  
  103   104   105   106  
   99   100   101  
  100   101  
  101  
    0  
  107   108   109   110   111   112  
  104   105   106  
  105   106  
  106  
    0  
  108   109   110   111   112  
  109   110   111   112  
  110   111   112  
  111   112  
  112  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   64   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   93   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.030000   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  108   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  112   2.4200   0.0150   0.060000   1.3810   1.2100   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   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    56   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   317.000  1.510
   49    50   340.000  1.080
   49    55   549.000  1.340
   55    56   317.000  1.510
   55    58   317.000  1.510
   56    57   340.000  1.090
   56    61   250.000  1.527
   61    62   340.000  1.090
   61    40   320.000  1.380
   61    64   320.000  1.380
   64    67   320.000  1.380
   67    68   340.000  1.090
   67    73   250.000  1.527
   67    92   320.000  1.380
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    77   320.000  1.410
   75    76   340.000  1.090
   75    78   268.000  1.529
   75    80   320.000  1.410
   78    79   340.000  1.090
   78    83   268.000  1.529
   78    85   320.000  1.410
   83    84   340.000  1.090
   83    92   320.000  1.410
   83    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   102   320.000  1.410
  102   107   214.000  1.327
  107   108   570.000  1.229
  107   109   317.000  1.522
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   85    96   214.000  1.327
   96    97   570.000  1.229
   96   103   317.000  1.522
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   80    86   214.000  1.327
   86    87   570.000  1.229
   86    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   77    81   214.000  1.327
   81    82   570.000  1.229
   81    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   320.000  1.410
   63    65   214.000  1.327
   65    66   570.000  1.229
   65    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   43    44   570.000  1.229
   43    48   214.000  1.327
   48    51   320.000  1.410
   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    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  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    40    61    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    41    56    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    48    81.00000  111.40000
   41    38    39    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    49    70.00000  112.02700
   41    56    55    70.00000  112.02700
   41    56    57    37.50000  110.70000
   41    56    61    75.00000  109.43000
   45    41    42    37.50000  110.70000
   45    49    50    35.00000  117.00000
   45    49    55    70.00000  124.00000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   49    55    56    70.00000  124.00000
   49    55    58    70.00000  124.00000
   55    49    50    35.00000  120.00000
   55    56    57    35.00000  109.50000
   55    56    61    70.00000  112.02700
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    85.00000  110.90400
   56    41    42    37.50000  110.70000
   56    41    45    58.35000  112.70000
   56    61    62    45.00000  112.01100
   56    61    40    90.00000  108.56700
   56    61    64    90.00000  108.56700
   61    56    57    45.00000  108.72000
   61    64    67   100.00000  109.58800
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    61    62    35.00000  109.50000
   64    61    62    35.00000  109.50000
   64    61    40    92.60000  111.55000
   64    67    68    35.00000  109.50000
   64    67    73    90.00000  108.56700
   64    67    92    92.60000  111.55000
   67    73    74    45.00000  108.72000
   67    73    75    75.00000  109.43000
   67    73    77    90.00000  109.38000
   67    92    83    60.00000  109.50000
   73    67    68    45.00000  112.01100
   73    75    76    37.50000  110.70000
   73    75    78    58.35000  112.70000
   73    75    80    50.00000  109.50000
   73    77    81    83.00000  116.90000
   75    73    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    83    58.35000  112.70000
   75    78    85    50.00000  109.50000
   75    80    86    83.00000  116.90000
   78    75    76    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    92    50.00000  109.50000
   78    83    93    58.35000  112.70000
   78    85    96    83.00000  116.90000
   83    78    79    37.50000  110.70000
   83    93    94    37.50000  110.70000
   83    93    95    37.50000  110.70000
   83    93   102    50.00000  109.50000
   92    67    68    35.00000  109.50000
   92    67    73    90.00000  108.56700
   92    83    84    35.00000  109.50000
   93    83    84    37.50000  110.70000
   93    83    92    50.00000  109.50000
   93   102   107    83.00000  116.90000
   95    93    94    33.00000  107.80000
  102    93    94    35.00000  109.50000
  102    93    95    35.00000  109.50000
  102   107   108    83.00000  123.40000
  102   107   109    81.00000  111.40000
  107   109   110    35.00000  109.50000
  107   109   111    35.00000  109.50000
  107   109   112    35.00000  109.50000
  109   107   108    80.00000  120.40000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   85    78    79    35.00000  109.50000
   85    78    83    50.00000  109.50000
   85    96    97    83.00000  123.40000
   85    96   103    81.00000  111.40000
   96   103   104    35.00000  109.50000
   96   103   105    35.00000  109.50000
   96   103   106    35.00000  109.50000
  103    96    97    80.00000  120.40000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   80    75    76    35.00000  109.50000
   80    75    78    50.00000  109.50000
   80    86    87    83.00000  123.40000
   80    86    98    81.00000  111.40000
   86    98    99    35.00000  109.50000
   86    98   100    35.00000  109.50000
   86    98   101    35.00000  109.50000
   98    86    87    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    50.00000  109.50000
   77    81    82    83.00000  123.40000
   77    81    88    81.00000  111.40000
   81    88    89    35.00000  109.50000
   81    88    90    35.00000  109.50000
   81    88    91    35.00000  109.50000
   88    81    82    80.00000  120.40000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   58    55    56    65.00000  117.92700
   58    63    65    83.00000  116.90000
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   63    65    66    83.00000  123.40000
   63    65    69    81.00000  111.40000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    72    35.00000  109.50000
   69    65    66    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    41    63.00000  111.10000
   43    48    51    83.00000  116.90000
   48    43    44    83.00000  123.40000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    35.00000  109.50000
   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
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   66    65    69    70   0.00000  1.0 1.0
   66    65    69    71   0.00000  1.0 1.0
   66    65    69    72   0.00000  1.0 1.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    45  -0.95700  1.0 1.0
   43    38    41    45  -0.18200 -1.0 2.0
   43    38    41    45   0.29450  1.0 3.0
   43    38    41    56  -0.95700  1.0 1.0
   43    38    41    56  -0.18200 -1.0 2.0
   43    38    41    56   0.29450  1.0 3.0
   43    48    51    52   0.08050  1.0 3.0
   43    48    51    53   0.08050  1.0 3.0
   43    48    51    54   0.08050  1.0 3.0
   44    43    48    51   3.00000 -1.0 2.0
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
   45    50    49    55   1.10000 -1.0 2.0
   56    58    55    49   1.10000 -1.0 2.0
  102   109   107   108  10.50000 -1.0 2.0
   85   103    96    97  10.50000 -1.0 2.0
   80    98    86    87  10.50000 -1.0 2.0
   77    88    81    82  10.50000 -1.0 2.0
   63    69    65    66  10.50000 -1.0 2.0
   38    48    43    44  10.50000 -1.0 2.0
END
