* LIGAND DATABASE FILE (OPLS2005)
*
001     110   114    215    347     646
    1     0 S   NP   _N1_     1    28.86533    98.35826   -22.97711
    2     1 S   H    _HN1     2     1.02790   103.25437   -90.86759
    3     1 S   H    _H1_     3     1.02948    60.47498    12.94202
    4     1 S   H    _H2_     4     1.02828    50.82126   166.71158
    5     1 S   CT   _CA1     5     1.50118   144.22272    97.17943
    6     5 S   HC   _HA1     6     1.09574   105.17726   110.22599
    7     5 S   CO3  _C1_     7     1.53778   112.46899    -9.99068
    8     7 S   O2Z  _O11     8     1.26375   115.00617   -42.46274
    9     7 S   O2Z  _O12     9     1.26239   114.94459   136.60855
   10     5 S   CT   _CB1    10     1.53070   107.41166  -131.80068
   11    10 S   HC   HB11    11     1.09837   109.34456   -49.57013
   12    10 S   HC   HB12    12     1.09812   110.46559    67.03139
   13    10 S   CT   _CG1    13     1.53003   112.62322  -170.52618
   14    13 S   HC   HG11    14     1.09576   110.68064   -66.59260
   15    13 S   HC   HG12    15     1.09671   109.74151    52.64917
   16    13 S   C    _CD1    16     1.51803   112.11813   173.10978
   17    16 S   O    _OE1    17     1.22748   123.24563     9.61818
   18    16 S   N    _N2_    18     1.38640   111.74617  -170.40987
   19    18 S   H    _HN2    19     1.01580   119.01804     1.13643
   20    18 S   CT1  _CA2    20     1.46184   123.38479   177.17908
   21    20 S   HC   _HA2    21     1.09745   109.28502     6.12215
   22    20 S   C    _C2_    22     1.53626   108.95527  -109.39723
   23    22 S   O    _O2_    23     1.23081   122.21234  -149.67230
   24    20 S   CT   _CB2    32     1.53313   111.57743   128.02343
   25    24 S   HC   HB21    33     1.09455   110.00105    57.17957
   26    24 S   HC   HB22    34     1.09468   109.99064   175.78815
   27    22 S   N    _N3_    24     1.38309   113.86339    37.87972
   28    27 S   H    _HN3    25     1.01558   119.61006    -3.34627
   29    24 S   S    _SG2    35     1.82936   111.31506   -64.29740
   30    27 S   CT   _CA3    26     1.45282   123.25951   177.12860
   31    30 S   HC   HA31    27     1.09550   107.52618   -64.41453
   32    30 S   HC   HA32    28     1.09558   107.97600    52.03615
   33    29 S   CT   _C26    36     1.86863    99.86123  -176.53547
   34    33 S   HC   _H11    37     1.09730   106.72941    19.48027
   35    30 S   CO3  _C3_    29     1.52973   114.05154   174.03047
   36    35 S   O2Z  _O31    30     1.26385   116.07668    -0.19584
   37    35 S   O2Z  _O32    31     1.26426   114.41281   179.85598
   38    33 S   CM   _C27    38     1.52461   107.73265   -93.65312
   39    38 S   CMA  _C28    39     1.35289   126.95965  -136.00285
   40    39 S   OM   _O38    40     1.26590   128.35941  -177.50888
   41    38 S   OH   _O39   109     1.39538   114.41317    48.12906
   42    41 S   HO   _H30   110     0.97539   105.88109   178.67441
   43    39 S   CT   _C5_    41     1.53467   119.91495    -2.24629
   44    43 S   HC   _H3_    42     1.10453   107.23275  -129.62714
   45    43 S   CT   _C6_    43     1.56016   111.94337   -16.76397
   46    45 S   HC   _H4_    44     1.10308   103.95477   -66.83577
   47    43 S   CT   _C4_   105     1.54335   112.44446   115.87807
   48    47 S   HC   _H12   106     1.09110   113.10298   -53.35026
   49    47 S   HC   _H13   107     1.09279   112.25499  -176.50302
   50    47 S   HC   _H14   108     1.09699   110.38099    65.61227
   51    45 S   CT   _C7_    45     1.54085   111.86130   179.53396
   52    51 S   HC   _H15    46     1.09335   111.94518   -71.09122
   53    51 S   HC   _H16    47     1.09794   108.59309    46.56584
   54    51 S   CT   _C8_    48     1.52084   111.67600   166.21562
   55    54 S   HC   _H5_    49     1.09768   107.98747   178.24833
   56    54 S   CT   _C9_    50     1.52454   113.04119    55.41611
   57    54 S   OS   _O35    62     1.45739   106.64030   -68.71122
   58    56 S   CT   _C10    51     1.53146   115.37796    81.25521
   59    58 S   HC   _H17    52     1.08894   115.47738   -90.50569
   60    58 S   HC   _H18    53     1.09621   112.16367    33.16751
   61    56 S   CT   _C24    87     1.58715   112.95930   -48.73972
   62    61 S   HC   _H10    88     1.09905   104.56728   -64.38724
   63    58 S   OS   _O33    54     1.44831   105.54754   149.37075
   64    33 S   CT   _C25    89     1.59371   113.39553   137.50672
   65    63 S   CT   _C11    55     1.46184   108.39763   -10.53355
   66    64 S   CT   _C29    90     1.54913   110.63697    41.27112
   67    66 S   HC   _H31    91     1.09104   113.11701   161.92129
   68    66 S   HC   _H32    92     1.09335   111.16260    41.64577
   69    66 S   HC   _H33    93     1.08837   113.99599   -76.33481
   70    56 S   CT   _C12    56     1.53213   106.09271  -172.02341
   71    70 S   HC   _H6_    57     1.10486   108.85419   -57.10235
   72    65 S   CT   _C22    83     1.54036   106.94178    98.57197
   73    72 S   HC   _H8_    84     1.09770   109.11940    67.05242
   74    65 S   CO4  _C30    98     1.52620   104.52756  -139.77114
   75    74 S   O    _O42    99     1.22550   124.30648    19.52718
   76    70 S   CT   _C13    58     1.51716   112.82890    60.05065
   77    76 S   HC   _H7_    59     1.09165   112.88067    65.01027
   78    72 S   CT   _C23    85     1.54464   111.62501   -53.34315
   79    78 S   HC   _H9_    86     1.09332   108.02904  -159.42002
   80    72 S   OH   _O41    96     1.42464   112.21053  -174.64310
   81    80 S   HO   _H35    97     0.97328   107.75106   -59.24789
   82    74 S   OS   _O43   100     1.36413   110.87197  -161.55323
   83    76 S   CO4  _C14    60     1.52016   110.25914   -54.12143
   84    83 S   O    _O34    61     1.22778   122.86598  -146.31793
   85    76 S   OS   _O36    63     1.43786   108.41176  -172.11034
   86    78 S   OH   _O40    94     1.42134   107.51787    85.06105
   87    86 S   HO   _H34    95     0.97240   107.87796    66.43964
   88    82 S   CT   _C31   101     1.43122   115.42955   179.78150
   89    88 S   HC   _H36   102     1.09330   108.07008   179.16420
   90    88 S   HC   _H37   103     1.09417   110.36096    60.46405
   91    88 S   HC   _H38   104     1.09409   110.21188   -62.17773
   92    85 S   CO4  _C15    64     1.36150   117.65709  -148.22703
   93    92 S   O    _O37    65     1.21860   126.71793     1.36229
   94    92 S   CM   _C16    66     1.48400   106.97618  -179.58410
   95    94 S   HC   _H19    67     1.08779   114.84112    -9.71377
   96    94 S   CM   _C17    68     1.34791   125.98478   171.99472
   97    96 S   CT   _C18    69     1.50679   124.38630    -3.31641
   98    97 S   HC   _H20    70     1.09447   110.23282    91.47396
   99    97 S   HC   _H21    71     1.09280   112.62288   -30.53426
  100    97 S   HC   _H22    72     1.09411   111.36565  -148.74236
  101    96 S   CT   _C19    73     1.52845   118.83875   176.38421
  102   101 S   HC   _H23    74     1.09900   108.82709    -7.16273
  103   101 S   CT   _C20    75     1.53089   111.95707   110.26983
  104   103 S   HC   _H24    76     1.09473   112.14544    67.39762
  105   103 S   HC   _H25    77     1.09566   110.38270  -172.86392
  106   103 S   HC   _H26    78     1.09553   111.00914   -53.58459
  107   101 S   CT   _C21    79     1.53110   112.06202  -124.36959
  108   107 S   HC   _H27    80     1.09529   111.92984   -66.57280
  109   107 S   HC   _H28    81     1.09556   110.46745   173.63283
  110   107 S   HC   _H29    82     1.09559   110.96188    54.26307
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  19   7   2   1   1  11  13   5   3   1  14   8  20   8   5   2
   1   1  12   6   5  17   6  21   8  13   5   4  18   7  11   9
  17   4   2   1   1  14   6  11   6   9   2   7   4   5   3   2
   1   4   3   1   5   1   1   3   2   1   1   6   3  10   3  14
   7   3   2   1   9   8   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    64    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    61    64    66    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    45    46    51    56    78    61    62    64    66    67    68    69    41    42  
   38    39    45    61    64    66    41  
   36    37  
   37  
    0  
   39    40    43    44    45    61    64    66    47    41    42  
   40    43    44    45    46    51    64    47    48    49    50    41    42  
   43    44    45    47    41  
   42    43    64  
    0  
   44    45    46    51    52    53    54    61    64    66    47    48    49    50  
   45    46    51    64    47    48    49    50  
   46    51    52    53    54    55    56    57    78    61    62    64    66    67    68    69    47    48    49    50  
   51    52    53    54    61    64    66    47  
   48    49    50    51    64  
   49    50  
   50  
    0  
   52    53    54    55    56    58    70    83    57    61    64    66  
   53    54    55    56    57    64  
   54    55    56    57    64  
   55    56    58    59    60    63    65    70    71    76    83    84    57    78    61    62    64  
   56    58    70    83    57    61  
   58    59    60    63    65    70    71    76    77    83    57    85    72    78    79    61    62    64    66    86    74  
   85    61    58    70    76    77    83    84  
   59    60    63    65    70    71    76    72    78    61    62    64    74  
   60    63    65    70    61  
   63    65    70    61  
   62    64    66    67    68    69    86    87    80    63    65    70    71    72    73    76    78    79  
   64    66    86    70    72    78    79  
   65    70    71    76    72    73    78    80    74    75    82  
   66    67    68    69    86    70    72    78    79  
   70    71    76    77    83    85    72    73    78    79    86    80    81    74    75    82    88  
   67    68    69    78  
   68    69  
   69  
    0  
   71    76    77    83    84    85    92    72    73    78    80    74    75    82  
   76    77    83    85    72    74  
   73    78    79    86    87    80    81    74    75    82    76  
   78    79    86    80    81    74  
   75    82    88    89    90    91    76    78    80  
   82    88  
   77    83    84    85    92    93    94  
   83    84    85    92  
   79    86    87    80    81  
   86    87    80  
   81    86  
    0  
   88    89    90    91  
   84    85    92  
   85  
   92    93    94    95    96  
   87  
    0  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95    96    97   101  
   94    95    96  
   95    96    97    98    99   100   101   102   103   107  
   96    97   101  
   97    98    99   100   101   102   103   104   105   106   107   108   109   110  
   98    99   100   101   102   103   107  
   99   100   101  
  100   101  
  101  
  102   103   104   105   106   107   108   109   110  
  103   104   105   106   107   108   109   110  
  104   105   106   107   108   109   110  
  105   106   107  
  106   107  
  107  
  108   109   110  
  109   110  
  110  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   83   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   97   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    64   268.000  1.529
   38    39   465.000  1.376
   38    41   510.000  1.338
   39    40   745.000  1.250
   39    43   270.000  1.512
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    64   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    57   320.000  1.410
   56    58   268.000  1.529
   56    70   268.000  1.529
   56    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   320.000  1.410
   63    65   320.000  1.410
   65    70   268.000  1.529
   65    72   268.000  1.529
   65    74   317.000  1.522
   70    71   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    83   317.000  1.522
   76    85   320.000  1.410
   83    84   570.000  1.229
   83    57   214.000  1.327
   85    92   214.000  1.327
   92    93   570.000  1.229
   92    94   320.000  1.462
   94    95   340.000  1.080
   94    96   549.000  1.340
   96    97   317.000  1.510
   96   101   317.000  1.510
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
  101   102   340.000  1.090
  101   103   268.000  1.529
  101   107   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    80   320.000  1.410
   78    79   340.000  1.090
   78    61   268.000  1.529
   78    86   320.000  1.410
   61    62   340.000  1.090
   61    64   268.000  1.529
   64    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   86    87   553.000  0.945
   80    81   553.000  0.945
   74    75   570.000  1.229
   74    82   214.000  1.327
   82    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    64    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    90.00000  109.34000
   33    64    45    58.35000  112.70000
   33    64    61    58.35000  112.70000
   33    64    66    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    65.00000  122.18000
   38    41    42    70.00000  107.45700
   39    43    44    45.00000  110.52000
   39    43    45    70.00000  112.02700
   39    43    47    70.00000  112.02700
   43    39    40    85.00000  112.85300
   43    45    46    37.50000  110.70000
   43    45    51    58.35000  112.70000
   43    45    64    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    54    58.35000  112.70000
   45    64    61    58.35000  112.70000
   45    64    66    58.35000  112.70000
   51    45    46    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    58.35000  112.70000
   51    54    57    50.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    58    58.35000  112.70000
   54    56    70    58.35000  112.70000
   54    56    61    58.35000  112.70000
   54    57    83    83.00000  116.90000
   56    54    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    63    50.00000  109.50000
   56    70    65    58.35000  112.70000
   56    70    71    37.50000  110.70000
   56    70    76    58.35000  112.70000
   56    61    78    58.35000  112.70000
   56    61    62    37.50000  110.70000
   56    61    64    58.35000  112.70000
   58    63    65    60.00000  109.50000
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   63    65    70    50.00000  109.50000
   63    65    72    50.00000  109.50000
   63    65    74    90.00000  108.74100
   65    70    71    37.50000  110.70000
   65    70    76    58.35000  112.70000
   65    72    73    37.50000  110.70000
   65    72    78    58.35000  112.70000
   65    72    80    50.00000  109.50000
   65    74    75    80.00000  120.40000
   65    74    82    81.00000  111.40000
   70    56    58    58.35000  112.70000
   70    76    77    37.50000  110.70000
   70    76    83    63.00000  111.10000
   70    76    85    50.00000  109.50000
   76    70    71    37.50000  110.70000
   76    83    84    80.00000  120.40000
   76    83    57    81.00000  111.40000
   76    85    92    83.00000  116.90000
   83    76    77    35.00000  109.50000
   57    54    55    35.00000  109.50000
   57    54    56    50.00000  109.50000
   57    83    84    83.00000  123.40000
   85    76    77    35.00000  109.50000
   85    76    83    90.00000  108.74100
   85    92    93    83.00000  123.40000
   85    92    94    90.00000  111.29400
   92    94    95    40.00000  117.72500
   92    94    96    65.00000  118.96000
   94    92    93    80.00000  123.72100
   94    96    97    70.00000  124.00000
   94    96   101    70.00000  124.00000
   96    94    95    35.00000  120.00000
   96    97    98    35.00000  109.50000
   96    97    99    35.00000  109.50000
   96    97   100    35.00000  109.50000
   96   101   102    35.00000  109.50000
   96   101   103    70.00000  112.02700
   96   101   107    70.00000  112.02700
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
  101    96    97    65.00000  117.92700
  101   103   104    37.50000  110.70000
  101   103   105    37.50000  110.70000
  101   103   106    37.50000  110.70000
  101   107   108    37.50000  110.70000
  101   107   109    37.50000  110.70000
  101   107   110    37.50000  110.70000
  103   101   102    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107   101   102    37.50000  110.70000
  107   101   103    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   72    65    70    58.35000  112.70000
   72    78    79    37.50000  110.70000
   72    78    61    58.35000  112.70000
   72    78    86    50.00000  109.50000
   72    80    81    55.00000  108.50000
   78    72    73    37.50000  110.70000
   78    61    62    37.50000  110.70000
   78    61    64    58.35000  112.70000
   78    86    87    55.00000  108.50000
   61    56    58    58.35000  112.70000
   61    56    70    58.35000  112.70000
   61    78    79    37.50000  110.70000
   61    64    66    58.35000  112.70000
   64    33    34    37.50000  110.70000
   64    33    38    70.00000  112.02700
   64    45    46    37.50000  110.70000
   64    45    51    58.35000  112.70000
   64    61    62    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    69    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   86    78    79    35.00000  109.50000
   86    78    61    50.00000  109.50000
   80    72    73    35.00000  109.50000
   80    72    78    50.00000  109.50000
   74    65    70    63.00000  111.10000
   74    65    72    63.00000  111.10000
   74    82    88    83.00000  116.90000
   82    74    75    83.00000  123.40000
   82    88    89    35.00000  109.50000
   82    88    90    35.00000  109.50000
   82    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   41    38    39    80.00000  121.38400
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
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   94    96   101   107   0.09850  1.0 1.0
   94    96   101   107   0.15250 -1.0 2.0
   94    96   101   107  -0.50650  1.0 3.0
   95    94    96    97   7.00000 -1.0 2.0
   95    94    96   101   7.00000 -1.0 2.0
   96   101   103   104   0.15000  1.0 3.0
   96   101   103   105   0.15000  1.0 3.0
   96   101   103   106   0.15000  1.0 3.0
   96   101   107   108   0.15000  1.0 3.0
   96   101   107   109   0.15000  1.0 3.0
   96   101   107   110   0.15000  1.0 3.0
   97    96   101   102   0.34800  1.0 3.0
   97    96   101   103   0.46850  1.0 1.0
   97    96   101   103   0.08550 -1.0 2.0
   97    96   101   103   0.09800  1.0 3.0
   97    96   101   107   0.46850  1.0 1.0
   97    96   101   107   0.08550 -1.0 2.0
   97    96   101   107   0.09800  1.0 3.0
  101    96    97    98   0.34800  1.0 3.0
  101    96    97    99   0.34800  1.0 3.0
  101    96    97   100   0.34800  1.0 3.0
  102   101   103   104   0.15000  1.0 3.0
  102   101   103   105   0.15000  1.0 3.0
  102   101   103   106   0.15000  1.0 3.0
  102   101   107   108   0.15000  1.0 3.0
  102   101   107   109   0.15000  1.0 3.0
  102   101   107   110   0.15000  1.0 3.0
  103   101   107   108   0.15000  1.0 3.0
  103   101   107   109   0.15000  1.0 3.0
  103   101   107   110   0.15000  1.0 3.0
  107   101   103   104   0.15000  1.0 3.0
  107   101   103   105   0.15000  1.0 3.0
  107   101   103   106   0.15000  1.0 3.0
   72    65    70    56   0.56750  1.0 1.0
   72    65    70    56  -0.07550 -1.0 2.0
   72    65    70    56   0.20000  1.0 3.0
   72    65    70    71   0.15000  1.0 3.0
   72    65    70    76   0.56750  1.0 1.0
   72    65    70    76  -0.07550 -1.0 2.0
   72    65    70    76   0.20000  1.0 3.0
   72    65    74    75   0.30150 -1.0 2.0
   72    65    74    82   0.36750  1.0 3.0
   72    78   -61    56   0.56750  1.0 1.0
   72    78   -61    56  -0.07550 -1.0 2.0
   72    78   -61    56   0.20000  1.0 3.0
   72    78    61    62   0.15000  1.0 3.0
   72    78    61    64   0.56750  1.0 1.0
   72    78    61    64  -0.07550 -1.0 2.0
   72    78    61    64   0.20000  1.0 3.0
   72    78    86    87  -0.11600  1.0 1.0
   72    78    86    87  -0.09450 -1.0 2.0
   72    78    86    87   0.21250  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    61   0.15000  1.0 3.0
   73    72    78    86   0.23400  1.0 3.0
   73    72    80    81   0.19450  1.0 3.0
   78    72    80    81  -0.11600  1.0 1.0
   78    72    80    81  -0.09450 -1.0 2.0
   78    72    80    81   0.21250  1.0 3.0
   78    61    64    33   0.56750  1.0 1.0
   78    61    64    33  -0.07550 -1.0 2.0
   78    61    64    33   0.20000  1.0 3.0
   78    61    64    45   0.56750  1.0 1.0
   78    61    64    45  -0.07550 -1.0 2.0
   78    61    64    45   0.20000  1.0 3.0
   78    61    64    66   0.56750  1.0 1.0
   78    61    64    66  -0.07550 -1.0 2.0
   78    61    64    66   0.20000  1.0 3.0
   79    78    61    56   0.15000  1.0 3.0
   79    78    61    62   0.15000  1.0 3.0
   79    78    61    64   0.15000  1.0 3.0
   79    78    86    87   0.19450  1.0 3.0
   61    56    58    59   0.15000  1.0 3.0
   61    56    58    60   0.15000  1.0 3.0
   61    56    58    63   0.62750  1.0 1.0
   61    56    58    63  -0.30950 -1.0 2.0
   61    56    58    63   0.27300  1.0 3.0
   61    56   -70    65   0.56750  1.0 1.0
   61    56   -70    65  -0.07550 -1.0 2.0
   61    56   -70    65   0.20000  1.0 3.0
   61    56    70    71   0.15000  1.0 3.0
   61    56    70    76   0.56750  1.0 1.0
   61    56    70    76  -0.07550 -1.0 2.0
   61    56    70    76   0.20000  1.0 3.0
   61    78    86    87  -0.11600  1.0 1.0
   61    78    86    87  -0.09450 -1.0 2.0
   61    78    86    87   0.21250  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.15000  1.0 3.0
   61    64    66    69   0.15000  1.0 3.0
   62    61    64    33   0.15000  1.0 3.0
   62    61    64    45   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   64    33   -38    39   0.09850  1.0 1.0
   64    33   -38    39   0.15250 -1.0 2.0
   64    33   -38    39  -0.50650  1.0 3.0
   64    33    38    41   0.09700  1.0 1.0
   64    33    38    41   0.15600 -1.0 2.0
   64    33    38    41  -0.50800  1.0 3.0
   64    45    51    52   0.15000  1.0 3.0
   64    45    51    53   0.15000  1.0 3.0
   64    45   -51    54   0.56750  1.0 1.0
   64    45   -51    54  -0.07550 -1.0 2.0
   64    45   -51    54   0.20000  1.0 3.0
   86    78    61    56   0.86500  1.0 1.0
   86    78    61    56  -0.17500 -1.0 2.0
   86    78    61    56   0.20800  1.0 3.0
   86    78    61    62   0.23400  1.0 3.0
   86    78    61    64   0.86500  1.0 1.0
   86    78    61    64  -0.17500 -1.0 2.0
   86    78    61    64   0.20800  1.0 3.0
   80    72    78    79   0.23400  1.0 3.0
   80    72    78    61   0.86500  1.0 1.0
   80    72    78    61  -0.17500 -1.0 2.0
   80    72    78    61   0.20800  1.0 3.0
   80    72    78    86   3.75450  1.0 1.0
   74    65    70    56  -0.95700  1.0 1.0
   74    65    70    56  -0.18200 -1.0 2.0
   74    65    70    56   0.29450  1.0 3.0
   74    65    70    71  -0.11250  1.0 3.0
   74    65    70    76  -0.95700  1.0 1.0
   74    65    70    76  -0.18200 -1.0 2.0
   74    65    70    76   0.29450  1.0 3.0
   74    65    72    73  -0.11250  1.0 3.0
   74    65    72    78  -0.95700  1.0 1.0
   74    65    72    78  -0.18200 -1.0 2.0
   74    65    72    78   0.29450  1.0 3.0
   74    65    72    80  -0.09450  1.0 1.0
   74    65    72    80  -1.12950 -1.0 2.0
   74    65    72    80   0.54000  1.0 3.0
   74    82    88    89   0.08050  1.0 3.0
   74    82    88    90   0.08050  1.0 3.0
   74    82    88    91   0.08050  1.0 3.0
   75    74    82    88   3.00000 -1.0 2.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    51   0.56750  1.0 1.0
   47    43    45    51  -0.07550 -1.0 2.0
   47    43    45    51   0.20000  1.0 3.0
   47    43    45    64   0.56750  1.0 1.0
   47    43    45    64  -0.07550 -1.0 2.0
   47    43    45    64   0.20000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -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
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   76    57    83    84  10.50000 -1.0 2.0
   85    94    92    93  10.50000 -1.0 2.0
   92    95    94    96  15.00000 -1.0 2.0
   97   101    96    94  15.00000 -1.0 2.0
   65    82    74    75  10.50000 -1.0 2.0
END
