* LIGAND DATABASE FILE (OPLS2005)
*
001     113   114    216    324     643
    1     0 S   NP   _N1_     1    29.68089    94.51433   -15.21794
    2     1 S   H    _HN1     2     1.02961   100.71487    12.38134
    3     1 S   H    _H1_     3     1.02851    58.41439   115.88453
    4     1 S   H    _H2_     4     1.02784    54.55765   -92.58295
    5     1 S   CT   _CA1     5     1.50093   148.81759  -166.44471
    6     5 S   HC   _HA1     6     1.09556   105.33697    -3.63400
    7     5 S   CO3  _C1_     7     1.53897   112.23493  -124.17302
    8     7 S   O2Z  _O11     8     1.26361   114.95415   -44.87715
    9     7 S   O2Z  _O12     9     1.26213   114.99150   134.36901
   10     5 S   CT   _CB1    10     1.53109   107.48691   114.59729
   11    10 S   HC   HB11    11     1.09814   109.81609   -47.87687
   12    10 S   HC   HB12    12     1.09840   110.19579    68.79774
   13    10 S   CT   _CG1    13     1.53024   112.50252  -168.86509
   14    13 S   HC   HG11    14     1.09486   110.26118   -55.67426
   15    13 S   HC   HG12    15     1.09601   110.23851    63.53280
   16    13 S   C    _CD1    16     1.51719   112.11911  -175.76076
   17    16 S   O    _OE1    17     1.22737   123.13243   -10.24066
   18    16 S   N    _N2_    18     1.38676   111.71363   169.33330
   19    18 S   H    _HN2    19     1.01584   119.10038     3.97084
   20    18 S   CT1  _CA2    20     1.46185   123.19837  -173.19176
   21    20 S   HC   _HA2    21     1.09740   109.04561   -18.82331
   22    20 S   C    _C2_    22     1.53320   108.55114  -134.65967
   23    22 S   O    _O2_    23     1.23004   122.24216  -146.41075
   24    20 S   CT   _CB2    32     1.53787   111.79658   102.85421
   25    24 S   HC   HB21    33     1.09478   110.74161    62.52409
   26    24 S   HC   HB22    34     1.09576   109.79036   179.82641
   27    22 S   N    _N3_    24     1.38511   113.31103    40.94828
   28    27 S   H    _HN3    25     1.01537   118.89242    -0.43969
   29    24 S   S    _SG2    35     1.82993   111.95104   -61.85559
   30    27 S   CT   _CA3    26     1.45450   123.41873   175.05561
   31    30 S   HC   HA31    27     1.09526   109.18932    25.07058
   32    30 S   HC   HA32    28     1.09493   107.12655   142.08028
   33    29 S   CT   _C10    36     1.84854   101.63499   127.24007
   34    33 S   HC   _H5_    37     1.09781   103.43746    50.96255
   35    30 S   CO3  _C3_    29     1.52939   113.17950   -98.36618
   36    35 S   O2Z  _O31    30     1.26398   115.44159   -43.16973
   37    35 S   O2Z  _O32    31     1.26361   114.95491   137.77329
   38    33 S   CT   _C9_    38     1.54103   111.44920   -64.98711
   39    38 S   HC   _H20    39     1.09250   110.76338    38.94670
   40    38 S   HC   _H21    40     1.09141   111.31346   -79.96872
   41    33 S   CT   _C11    59     1.57158   113.25984   165.10996
   42    41 S   HC   _H6_    60     1.10025   104.50722  -171.73789
   43    38 S   CO4  _C8_    41     1.52789   112.81296   155.86148
   44    43 S   O    _O33    42     1.23336   121.86000   -11.22481
   45    41 S   CT   _C27    61     1.54046   111.01932   -59.69768
   46    45 S   HC   _H42    62     1.09238   112.95193    69.53638
   47    45 S   HC   _H43    63     1.09559   110.58338   -51.38794
   48    45 S   HC   _H44    64     1.09559   110.55301  -169.80684
   49    43 S   CT   _C7_    43     1.52930   118.58598   169.14467
   50    49 S   HC   _H4_    44     1.09639   106.77540   163.87637
   51    49 S   CT   _C6_    45     1.53657   111.21631   -76.53771
   52    51 S   HC   _H18    46     1.09357   107.96659    62.46324
   53    51 S   HC   _H19    47     1.09784   108.97226   177.21554
   54    49 S   CT   _C28   110     1.52747   111.42210    48.07604
   55    54 S   HC   _H45   111     1.09420   111.79039   -68.83574
   56    54 S   HC   _H46   112     1.09513   110.59731   171.19926
   57    54 S   HC   _H47   113     1.09534   110.90491    51.40336
   58    51 S   CT   _C5_    48     1.55011   114.39401   -60.34879
   59    58 S   HC   _H3_    49     1.09554   109.33127    49.22188
   60    58 S   CT   _C15    50     1.55905   112.67513   168.69629
   61    60 S   HC   _H9_    51     1.09921   107.79852   176.88492
   62    58 S   CT   _C4_   106     1.53598   110.49557   -67.63434
   63    62 S   HC   _H15   107     1.09477   111.62670   -55.16047
   64    62 S   HC   _H16   108     1.09525   110.77638  -175.88791
   65    62 S   HC   _H17   109     1.09404   111.28070    65.45809
   66    60 S   CT   _C14    52     1.54607   113.04387   -63.15844
   67    66 S   HC   _H8_    53     1.09532   109.90780    66.13652
   68    60 S   OS   _O36    77     1.43507   108.12771    57.22912
   69    66 S   CO4  _C13    54     1.51820   111.14528   -54.86483
   70    69 S   O    _O35    55     1.22400   124.07613   -70.26805
   71    66 S   CT   _C24    73     1.53075   112.97190  -176.57892
   72    71 S   HC   _H35    74     1.09542   111.41408    54.49226
   73    71 S   HC   _H36    75     1.09387   111.14565   -66.53348
   74    71 S   HC   _H37    76     1.09601   110.77547   174.04658
   75    68 S   CO   _C16    78     1.43356   114.28972   126.97686
   76    75 S   HC   _H10    79     1.09683   108.80965    52.24549
   77    69 S   OS   _O34    56     1.36426   109.78198   110.31479
   78    75 S   CT   _C17    80     1.53773   107.08380   171.47267
   79    78 S   HC   _H11    81     1.09517   108.66892    52.84114
   80    77 S   CT   _C12    57     1.44954   118.11950   170.22503
   81    80 S   HC   _H7_    58     1.09883   108.83270   -14.52843
   82    78 S   CT   _C18    82     1.53504   110.32469   174.67667
   83    82 S   HC   _H12    83     1.09840   107.84861    68.91284
   84    78 S   OH   _O38   104     1.42835   110.66251   -64.40917
   85    84 S   HO   _H34   105     0.97254   108.47715   -48.85777
   86    80 S   CT   _C25    65     1.54054   106.83008  -128.90442
   87    86 S   HC   _H14    66     1.09455   110.32211   -62.44225
   88    82 S   CT   _C19    84     1.52743   111.37169   -51.23625
   89    88 S   HC   _H22    85     1.09523   111.02056   174.50777
   90    88 S   HC   _H23    86     1.09651   109.94645   -66.24570
   91    82 S   NP   _N4_    94     1.52713   110.18189  -177.11690
   92    91 S   H    _H27    95     1.03047   104.79755   -42.59614
   93    86 S   CT   _C26    67     1.52962   112.07162    57.00352
   94    93 S   HC   _H38    68     1.09557   110.84518    59.39736
   95    93 S   HC   _H39    69     1.09348   111.97973   -62.20728
   96    93 S   HC   _H40    70     1.09564   110.35430   177.30979
   97    86 S   OH   _O39    71     1.42220   110.12966   176.65180
   98    97 S   HO   _H41    72     0.97251   107.53441   172.24683
   99    88 S   CT   _C20    87     1.53086   109.24520    52.78847
  100    99 S   HC   _H13    88     1.09734   110.59366    62.57334
  101    91 S   CT   _C22    96     1.50607   116.39104    73.50730
  102   101 S   HC   _H28    97     1.09269   108.99236    70.94888
  103   101 S   HC   _H29    98     1.09370   107.66843  -169.46358
  104   101 S   HC   _H30    99     1.09096   109.08674   -50.83624
  105    91 S   CT   _C23   100     1.50753   112.65847  -156.70672
  106   105 S   HC   _H31   101     1.09252   108.82265   -67.31411
  107   105 S   HC   _H32   102     1.09303   108.26801    53.68287
  108   105 S   HC   _H33   103     1.09339   107.99017   172.32783
  109    75 S   OS   _O37    89     1.42955   111.07163   -68.58593
  110    99 S   CT   _C21    90     1.52233   111.13452  -176.58929
  111   110 S   HC   _H24    91     1.09567   111.06504    61.11080
  112   110 S   HC   _H25    92     1.09413   111.33613   -60.27048
  113   110 S   HC   _H26    93     1.09545   110.30909   179.07677
  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  10   5   4   3
  17   8   2   1   1  12   5   4  14   8  11   4   7   3   2   1
  12   8  16   6   5   4   2   1   1  13   8  19   7   5   2   1
   1  11   8  10   9   3   4   2   1   1  13   6   6  14   7   9
   4  20   9   4   1   7   6  13   6   5  10   8   5   3   2   1
   1   1   6   5   7   3   2   1   3   2   1   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    80    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    77    80    81    41    42    45    46    47    48    86  
   38    39    40    43    80    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    49    50    51    80    41    42    45    54  
   40    43    44    49    41  
   43    44    49    41  
   42    45    46    47    48    86    87    93    97    43    69    77    80    81  
   45    46    47    48    86    77    80    81  
   44    49    50    51    52    53    58    54    55    56    57  
   49    50    51    54  
   46    47    48    86    77    80    81  
   47    48    80  
   48    80  
   80  
   50    51    52    53    58    59    60    62    54    55    56    57  
   51    52    53    58    54    55    56    57  
   52    53    58    59    60    61    66    68    62    63    64    65    54    55    56    57  
   53    58    59    60    62    54  
   58    59    60    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    66    67    69    71    68    75    62    63    64    65  
   60    61    66    68    62    63    64    65  
   61    66    67    69    70    77    71    72    73    74    68    75    76    78   109    62    63    64    65  
   66    67    69    71    68    75    62  
   63    64    65    66    68  
   64    65  
   65  
    0  
   67    69    70    77    80    71    72    73    74    68    75  
   69    70    77    71    72    73    74    68  
   75    76    78    79    82    99   109    84    69    71  
   70    77    80    81    86    71    72    73    74  
   77    80    71  
   72    73    74    77  
   73    74  
   74  
    0  
   76    78    79    82    83    88    99   100   109   110    91    84    85  
   78    79    82    99   109    84  
   80    81    86    87    93    97  
   79    82    83    88    89    90    99   109    91    92   101   105    84    85  
   82    83    88   109    91    84    85  
   81    86    87    93    94    95    96    97    98  
   86    87    93    97  
   83    88    89    90    99   100   109   110    91    92   101   102   103   104   105   106   107   108    84    85  
   88    89    90    99    91    92   101   105    84  
   85    88    91   109  
    0  
   87    93    94    95    96    97    98  
   93    94    95    96    97    98  
   89    90    99   100   109   110   111   112   113    91    92   101   105  
   90    99   100   109   110    91  
   99   100   109   110    91  
   92   101   102   103   104   105   106   107   108    99  
  101   102   103   104   105   106   107   108  
   94    95    96    97    98  
   95    96    97  
   96    97  
   97  
   98  
    0  
  100   109   110   111   112   113  
  109   110   111   112   113  
  102   103   104   105   106   107   108  
  103   104   105  
  104   105  
  105  
  106   107   108  
  107   108  
  108  
    0  
  110   111   112   113  
  111   112   113  
  112   113  
  113  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   92   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
  101   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  109   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   317.000  1.522
   43    44   570.000  1.229
   43    49   317.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   268.000  1.529
   60    61   340.000  1.090
   60    66   268.000  1.529
   60    68   320.000  1.410
   66    67   340.000  1.090
   66    69   317.000  1.522
   66    71   268.000  1.529
   69    70   570.000  1.229
   69    77   214.000  1.327
   77    80   320.000  1.410
   80    81   340.000  1.090
   80    41   268.000  1.529
   80    86   268.000  1.529
   41    42   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   86    87   340.000  1.090
   86    93   268.000  1.529
   86    97   320.000  1.410
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   68    75   320.000  1.380
   75    76   340.000  1.090
   75    78   250.000  1.527
   75   109   320.000  1.380
   78    79   340.000  1.090
   78    82   268.000  1.529
   78    84   320.000  1.410
   82    83   340.000  1.090
   82    88   268.000  1.529
   82    91   367.000  1.471
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    99   268.000  1.529
   99   100   340.000  1.090
   99   109   320.000  1.410
   99   110   268.000  1.529
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   91    92   434.000  1.010
   91   101   367.000  1.471
   91   105   367.000  1.471
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   84    85   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    63.00000  111.10000
   33    41    80    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    80.00000  120.40000
   38    43    49    70.00000  116.00000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    63.00000  111.10000
   43    49    54    63.00000  111.10000
   49    43    44    80.00000  120.40000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    58    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    58.35000  112.70000
   51    58    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    66    58.35000  112.70000
   58    60    68    50.00000  109.50000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   60    58    59    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    69    63.00000  111.10000
   60    66    71    58.35000  112.70000
   60    68    75    60.00000  109.50000
   66    60    61    37.50000  110.70000
   66    69    70    80.00000  120.40000
   66    69    77    81.00000  111.40000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   69    66    67    35.00000  109.50000
   69    77    80    83.00000  116.90000
   77    69    70    83.00000  123.40000
   77    80    81    35.00000  109.50000
   77    80    41    50.00000  109.50000
   77    80    86    50.00000  109.50000
   80    41    42    37.50000  110.70000
   80    41    45    58.35000  112.70000
   80    86    87    37.50000  110.70000
   80    86    93    58.35000  112.70000
   80    86    97    50.00000  109.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    80    81    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   45    41    42    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   86    80    81    37.50000  110.70000
   86    80    41    58.35000  112.70000
   86    93    94    37.50000  110.70000
   86    93    95    37.50000  110.70000
   86    93    96    37.50000  110.70000
   86    97    98    55.00000  108.50000
   93    86    87    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    86    87    35.00000  109.50000
   97    86    93    50.00000  109.50000
   71    66    67    37.50000  110.70000
   71    66    69    63.00000  111.10000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   68    60    61    35.00000  109.50000
   68    60    66    50.00000  109.50000
   68    75    76    35.00000  109.50000
   68    75    78    90.00000  108.56700
   68    75   109    92.60000  111.55000
   75    78    79    45.00000  108.72000
   75    78    82    75.00000  109.43000
   75    78    84    90.00000  111.58700
   75   109    99    60.00000  109.50000
   78    75    76    45.00000  112.01100
   78    82    83    37.50000  110.70000
   78    82    88    58.35000  112.70000
   78    82    91    80.00000  111.20000
   78    84    85    55.00000  108.50000
   82    78    79    37.50000  110.70000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    99    58.35000  112.70000
   82    91    92    35.00000  109.50000
   82    91   101    75.00000  113.01200
   82    91   105    75.00000  113.01200
   88    82    83    37.50000  110.70000
   88    99   100    37.50000  110.70000
   88    99   109    50.00000  109.50000
   88    99   110    58.35000  112.70000
   90    88    89    33.00000  107.80000
   99    88    89    37.50000  110.70000
   99    88    90    37.50000  110.70000
   99   110   111    37.50000  110.70000
   99   110   112    37.50000  110.70000
   99   110   113    37.50000  110.70000
  109    75    76    35.00000  109.50000
  109    75    78    90.00000  108.56700
  109    99   100    35.00000  109.50000
  110    99   100    37.50000  110.70000
  110    99   109    50.00000  109.50000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   91    82    83    35.00000  109.50000
   91    82    88    80.00000  111.20000
   91   101   102    35.00000  109.50000
   91   101   103    35.00000  109.50000
   91   101   104    35.00000  109.50000
   91   105   106    35.00000  109.50000
   91   105   107    35.00000  109.50000
   91   105   108    35.00000  109.50000
  101    91    92    35.00000  109.50000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
  105    91    92    35.00000  109.50000
  105    91   101    75.00000  113.01200
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   84    78    79    35.00000  109.50000
   84    78    82    50.00000  109.50000
   62    58    59    37.50000  110.70000
   62    58    60    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
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  109    75   -78    82   0.62750  1.0 1.0
  109    75   -78    82  -0.30950 -1.0 2.0
  109    75   -78    82   0.27300  1.0 3.0
  109    75    78    84   3.69350  1.0 1.0
  109    75    78    84  -1.82950 -1.0 2.0
  109    99   110   111   0.23400  1.0 3.0
  109    99   110   112   0.23400  1.0 3.0
  109    99   110   113   0.23400  1.0 3.0
  110    99   109    75   0.06250  1.0 1.0
  110    99   109    75  -0.01100 -1.0 2.0
  110    99   109    75   0.28050  1.0 3.0
   91    82    88    89   0.19200  1.0 3.0
   91    82    88    90   0.19200  1.0 3.0
   91    82    88    99   1.36600  1.0 1.0
   91    82    88    99  -0.11450 -1.0 2.0
   91    82    88    99   0.24250  1.0 3.0
   92    91   101   102   0.13050  1.0 3.0
   92    91   101   103   0.13050  1.0 3.0
   92    91   101   104   0.13050  1.0 3.0
   92    91   105   106   0.13050  1.0 3.0
   92    91   105   107   0.13050  1.0 3.0
   92    91   105   108   0.13050  1.0 3.0
  101    91   105   106   0.15000  1.0 3.0
  101    91   105   107   0.15000  1.0 3.0
  101    91   105   108   0.15000  1.0 3.0
  105    91   101   102   0.15000  1.0 3.0
  105    91   101   103   0.15000  1.0 3.0
  105    91   101   104   0.15000  1.0 3.0
   84    78    82    83   0.23400  1.0 3.0
   84    78    82    88   0.86500  1.0 1.0
   84    78    82    88  -0.17500 -1.0 2.0
   84    78    82    88   0.20800  1.0 3.0
   84    78    82    91   1.69300  1.0 1.0
   84    78    82    91  -0.48450 -1.0 2.0
   62    58    60    61   0.15000  1.0 3.0
   62    58    60    66   0.56750  1.0 1.0
   62    58    60    66  -0.07550 -1.0 2.0
   62    58    60    66   0.20000  1.0 3.0
   62    58    60    68   0.62750  1.0 1.0
   62    58    60    68  -0.30950 -1.0 2.0
   62    58    60    68   0.27300  1.0 3.0
   54    49    51    52   0.15000  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49    51    58   0.56750  1.0 1.0
   54    49    51    58  -0.07550 -1.0 2.0
   54    49    51    58   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    49    43    44  10.50000 -1.0 2.0
   66    77    69    70  10.50000 -1.0 2.0
END
