* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    219    359     668
    1     0 S   NP   _N1_     1    28.74895    94.72114   -18.86592
    2     1 S   H    _HN1     2     1.02959    98.40026    16.27924
    3     1 S   H    _H1_     3     1.02838    38.89555   123.12719
    4     1 S   H    _H2_     4     1.02780    75.22832   -90.53903
    5     1 S   CT   _CA1     5     1.50106   144.89359   161.71126
    6     5 S   HC   _HA1     6     1.09575   105.26272    34.49516
    7     5 S   CO3  _C1_     7     1.53804   112.26362   -85.75099
    8     7 S   O2Z  _O11     8     1.26355   115.01635   -47.11337
    9     7 S   O2Z  _O12     9     1.26230   114.87118   132.00526
   10     5 S   CT   _CB1    10     1.53075   107.42067   152.35734
   11    10 S   HC   HB11    11     1.09821   109.39517   -50.96815
   12    10 S   HC   HB12    12     1.09825   110.40500    65.58671
   13    10 S   CT   _CG1    13     1.52996   112.64284  -172.09945
   14    13 S   HC   HG11    14     1.09599   110.33590   -61.41799
   15    13 S   HC   HG12    15     1.09630   110.14543    57.81112
   16    13 S   C    _CD1    16     1.51793   112.16743   178.12257
   17    16 S   O    _OE1    17     1.22734   123.23013    -8.41230
   18    16 S   N    _N2_    18     1.38569   111.65101   171.84341
   19    18 S   H    _HN2    19     1.01598   119.05846     1.42903
   20    18 S   CT1  _CA2    20     1.46311   123.45267  -176.60460
   21    20 S   HC   _HA2    21     1.09734   109.39481   -13.21870
   22    20 S   C    _C2_    22     1.53397   108.62472  -129.02873
   23    22 S   O    _O2_    23     1.23018   122.23078  -147.94233
   24    20 S   CT   _CB2    32     1.53682   110.98570   108.74677
   25    24 S   HC   HB21    33     1.09452   108.35167    54.00568
   26    24 S   HC   HB22    34     1.09299   110.38284   172.98751
   27    22 S   N    _N3_    24     1.38511   113.39656    39.69714
   28    27 S   H    _HN3    25     1.01523   118.86991    -0.84811
   29    24 S   S    _SG2    35     1.83144   110.74273   -66.54426
   30    27 S   CT   _CA3    26     1.45434   123.43609   174.84246
   31    30 S   HC   HA31    27     1.09525   109.20852    25.09637
   32    30 S   HC   HA32    28     1.09494   107.13882   142.11359
   33    29 S   CT   _C20    36     1.91414   104.17976   175.49876
   34    30 S   CO3  _C3_    29     1.52926   113.10440   -98.34389
   35    34 S   O2Z  _O31    30     1.26403   115.40946   -44.14665
   36    34 S   O2Z  _O32    31     1.26355   114.97639   136.76853
   37    33 S   CM   _C21    37     1.51054   108.68413   -28.99577
   38    37 S   HC   _H32    38     1.09054   115.16481    73.38892
   39    33 S   CT   _C19    55     1.58364   108.34685  -148.63585
   40    39 S   HC   _H5_    56     1.10042   107.93495   -37.71144
   41    37 S   CMA  _C22    39     1.35287   129.16230  -109.08310
   42    41 S   OM   _O34    40     1.26352   126.88866  -175.87654
   43    39 S   CT   _C18    57     1.57204   112.94836  -153.09519
   44    43 S   HC   _H30    58     1.09372   110.24826   -83.38241
   45    43 S   HC   _H31    59     1.09718   108.62201   161.38776
   46    41 S   CT   _C23    41     1.55399   120.52068     0.53376
   47    46 S   HC   _H6_    42     1.10085   105.00232   -99.23584
   48    43 S   CT   _C17    60     1.53085   118.15423    40.58834
   49    48 S   HC   _H28    61     1.09691   108.94907    73.38392
   50    48 S   HC   _H29    62     1.09408   107.86107  -172.61876
   51    46 S   CT   _C28    43     1.56076   115.66881   146.27952
   52    51 S   HC   _H37    44     1.09744   111.66394    50.57673
   53    51 S   HC   _H38    45     1.09821   109.45365   164.08675
   54    48 S   CT   _C16    63     1.53347   111.97612   -50.09687
   55    51 S   CT   _C27    46     1.52514   113.52710   -73.86356
   56    55 S   HC   _H7_    47     1.09598   110.50362    65.15019
   57    54 S   CT   _C12    64     1.57012   114.40254   167.21770
   58    57 S   HC   _H4_    65     1.09859   107.49147   -40.65516
   59    54 S   CT   _C30   100     1.54572   110.12654   -68.37461
   60    59 S   HC   _H43   101     1.09426   112.41903   176.96423
   61    59 S   HC   _H44   102     1.08993   113.02429    55.11712
   62    59 S   HC   _H45   103     1.09457   111.11650   -62.84312
   63    55 S   CT   _C26    48     1.52256   111.10535   -56.78224
   64    63 S   HC   _H35    49     1.09551   110.78667   -70.41449
   65    63 S   HC   _H36    50     1.09745   109.17706   174.75970
   66    57 S   CT   _C13    66     1.55095   102.68320  -153.91472
   67    66 S   HC   _H24    67     1.09615   111.85118   -99.49763
   68    66 S   HC   _H25    68     1.09585   110.41317   140.97315
   69    57 S   CT   _C5_    75     1.55531   119.94560    81.22101
   70    69 S   HC   _H3_    76     1.09771   108.49642    58.07776
   71    55 S   OH   _O33   108     1.42491   109.49895  -176.64293
   72    71 S   HO   _H39   109     0.97242   107.21845   -60.04601
   73    63 S   CT   _C25    51     1.52809   110.78620    54.03662
   74    73 S   HC   _H33    52     1.08870   103.89041    66.38497
   75    73 S   HC   _H34    53     1.09662   109.38067  -179.15073
   76    66 S   CT   _C14    69     1.53817   107.51106    20.17449
   77    76 S   HC   _H26    70     1.09515   109.26979   129.63670
   78    76 S   HC   _H27    71     1.09365   108.90899  -112.61819
   79    69 S   CT   _C4_    77     1.53218   112.77294   -60.44637
   80    79 S   HC   _H8_    78     1.09459   111.68732   -47.98168
   81    79 S   HC   _H9_    79     1.09254   111.21873    73.14683
   82    79 S   HC   _H10    80     1.09559   111.08763  -168.64594
   83    69 S   CT   _C6_    81     1.55272   113.01729   174.48914
   84    83 S   HC   _H11    82     1.09832   108.30295  -176.22768
   85    83 S   HC   _H12    83     1.09657   109.53780   -61.76454
   86    46 S   CT   _C24    54     1.57452   113.18722    18.18892
   87    33 S   CT   _C15    72     1.57629   104.42255    94.50707
   88    83 S   CT   _C7_    84     1.53392   115.31221    61.66601
   89    88 S   HC   _H13    85     1.09531   110.11754    57.57770
   90    88 S   HC   _H14    86     1.09368   109.57914   -60.57998
   91    87 S   OH   _O35    73     1.45963   106.70616    52.06849
   92    91 S   HO   _H46    74     0.97346   107.01439   -54.59172
   93    88 S   CT   _C8_    87     1.53338   110.95818   178.53727
   94    93 S   HC   _H15    88     1.09757   109.35130    61.89839
   95    93 S   HC   _H16    89     1.09770   108.66655   -54.13101
   96    86 S   CT   _C29   104     1.55855   109.93211  -163.98900
   97    96 S   HC   _H40   105     1.09479   111.95656    50.61693
   98    96 S   HC   _H41   106     1.09239   113.38123   -68.68146
   99    96 S   HC   _H42   107     1.09606   110.58153   171.41773
  100    93 S   CT   _C9_    90     1.54009   113.47723  -175.20347
  101   100 S   HC   _H17    91     1.09738   108.70674    56.31601
  102   100 S   CT   _C10    92     1.52942   112.49306   -63.53240
  103   102 S   HC   _H18    93     1.09522   111.25786   -55.82424
  104   102 S   HC   _H19    94     1.09546   110.75233  -175.89067
  105   102 S   HC   _H20    95     1.09409   111.38703    64.99857
  106   100 S   CT   _C11    96     1.53076   109.78951   174.01673
  107   106 S   HC   _H21    97     1.09539   111.28457    61.95975
  108   106 S   HC   _H22    98     1.09521   110.83613  -177.78645
  109   106 S   HC   _H23    99     1.09516   110.83632   -58.31808
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  24   2   1   1  14   5  24   9  11   4  13   6   5  16   7  15
   5   4  12   6   5  19  10   6  23  10   8   3   2   1   9   6
   5  11   6   5  14   8   2   1   7   3   2   5   3   2   7   3
   2   1   9   5   4   5   2   9   5   4   1   1  12   5   4   3
   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    87    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    86    39    40    43    54    76    87    91  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    73    86    39    40    43    44    45    48    54    57    66    76    77    78    87    91    92    59    96  
   35    36  
   36  
    0  
   38    41    42    46    47    51    86    39    40    43    54    76    87    91  
   41    42    46    39    87  
   40    43    44    45    48    49    50    54    76    87    91    96    97    98    99    41    46    47    51    63    73    74    75    86  
   43    44    45    48    87    96    46    73    86  
   42    46    47    51    52    53    55    73    86    87    96  
   46    47    51    86  
   44    45    48    49    50    54    57    87    59    96    46    73    86  
   45    48    49    50    54    86  
   48    49    50    54    86  
   47    51    52    53    55    56    63    73    74    75    86    96    97    98    99    71  
   51    52    53    55    73    86    96  
   49    50    54    57    58    66    76    87    91    69    59    60    61    62    86  
   50    54    57    87    59  
   54    57    87    59  
   52    53    55    56    63    64    65    73    86    96    71    72  
   53    55    56    63    86    71  
   55    56    63    86    71  
   57    58    66    67    68    76    77    78    87    91    92    69    70    79    83    59    60    61    62  
   56    63    64    65    73    74    75    86    71    72  
   63    64    65    73    71    72  
   58    66    67    68    76    77    78    87    91    69    70    79    80    81    82    83    84    85    88    59    60    61    62  
   66    67    68    76    87    69    70    79    83    59  
   60    61    62    66    69    76    87    91  
   61    62    87  
   62    87  
   87  
   64    65    73    74    75    86    96    71    72  
   65    73    74    75    86    71  
   73    74    75    86    71  
   67    68    76    77    78    87    91    69    70    79    83  
   68    76    77    78    87    69  
   76    77    78    87    69  
   70    79    80    81    82    83    84    85    88    89    90    93    76    87  
   79    80    81    82    83    84    85    88  
   72    73  
    0  
   74    75    86    96    97    98    99  
   75    86    96  
   86    96  
   77    78    87    91    92  
   78    87    91  
   87    91  
   80    81    82    83    84    85    88  
   81    82    83  
   82    83  
   83  
   84    85    88    89    90    93    94    95   100  
   85    88    89    90    93  
   88    89    90    93  
   87    96    97    98    99  
   91    92  
   89    90    93    94    95   100   101   102   106  
   90    93    94    95   100  
   93    94    95   100  
   92  
    0  
   94    95   100   101   102   103   104   105   106   107   108   109  
   95   100   101   102   106  
  100   101   102   106  
   97    98    99  
   98    99  
   99  
    0  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   106   107   108   109  
  103   104   105   106   107   108   109  
  104   105   106  
  105   106  
  106  
  107   108   109  
  108   109  
  109  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    87   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    86   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    71   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    86   268.000  1.529
   86    39   268.000  1.529
   86    96   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    57   268.000  1.529
   54    87   268.000  1.529
   54    59   268.000  1.529
   57    58   340.000  1.090
   57    66   268.000  1.529
   57    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    87   268.000  1.529
   87    91   320.000  1.410
   91    92   553.000  0.945
   69    70   340.000  1.090
   69    79   268.000  1.529
   69    83   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   100   268.000  1.529
  100   101   340.000  1.090
  100   102   268.000  1.529
  100   106   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   71    72   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    87    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    39    86    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    87    54    58.35000  112.70000
   33    87    76    58.35000  112.70000
   33    87    91    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    46    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    46    47    45.00000  110.52000
   41    46    51    70.00000  112.02700
   41    46    86    70.00000  112.02700
   46    41    42    85.00000  112.85300
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    55    58.35000  112.70000
   46    86    73    58.35000  112.70000
   46    86    39    58.35000  112.70000
   46    86    96    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    63    58.35000  112.70000
   51    55    71    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    73    58.35000  112.70000
   55    71    72    55.00000  108.50000
   63    55    56    37.50000  110.70000
   63    73    74    37.50000  110.70000
   63    73    75    37.50000  110.70000
   63    73    86    58.35000  112.70000
   65    63    64    33.00000  107.80000
   73    63    64    37.50000  110.70000
   73    63    65    37.50000  110.70000
   73    86    39    58.35000  112.70000
   73    86    96    58.35000  112.70000
   75    73    74    33.00000  107.80000
   86    46    47    37.50000  110.70000
   86    46    51    58.35000  112.70000
   86    73    74    37.50000  110.70000
   86    73    75    37.50000  110.70000
   86    39    40    37.50000  110.70000
   86    39    43    58.35000  112.70000
   86    96    97    37.50000  110.70000
   86    96    98    37.50000  110.70000
   86    96    99    37.50000  110.70000
   39    33    37    70.00000  112.02700
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    54    57    58.35000  112.70000
   48    54    87    58.35000  112.70000
   48    54    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    66    58.35000  112.70000
   54    57    69    58.35000  112.70000
   54    87    76    58.35000  112.70000
   54    87    91    50.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    76    58.35000  112.70000
   57    69    70    37.50000  110.70000
   57    69    79    58.35000  112.70000
   57    69    83    58.35000  112.70000
   66    57    58    37.50000  110.70000
   66    76    77    37.50000  110.70000
   66    76    78    37.50000  110.70000
   66    76    87    58.35000  112.70000
   68    66    67    33.00000  107.80000
   76    66    67    37.50000  110.70000
   76    66    68    37.50000  110.70000
   76    87    91    50.00000  109.50000
   78    76    77    33.00000  107.80000
   87    33    37    70.00000  112.02700
   87    33    39    58.35000  112.70000
   87    54    57    58.35000  112.70000
   87    76    77    37.50000  110.70000
   87    76    78    37.50000  110.70000
   87    91    92    55.00000  108.50000
   69    57    58    37.50000  110.70000
   69    57    66    58.35000  112.70000
   69    79    80    37.50000  110.70000
   69    79    81    37.50000  110.70000
   69    79    82    37.50000  110.70000
   69    83    84    37.50000  110.70000
   69    83    85    37.50000  110.70000
   69    83    88    58.35000  112.70000
   79    69    70    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    69    70    37.50000  110.70000
   83    69    79    58.35000  112.70000
   83    88    89    37.50000  110.70000
   83    88    90    37.50000  110.70000
   83    88    93    58.35000  112.70000
   85    83    84    33.00000  107.80000
   88    83    84    37.50000  110.70000
   88    83    85    37.50000  110.70000
   88    93    94    37.50000  110.70000
   88    93    95    37.50000  110.70000
   88    93   100    58.35000  112.70000
   90    88    89    33.00000  107.80000
   93    88    89    37.50000  110.70000
   93    88    90    37.50000  110.70000
   93   100   101    37.50000  110.70000
   93   100   102    58.35000  112.70000
   93   100   106    58.35000  112.70000
   95    93    94    33.00000  107.80000
  100    93    94    37.50000  110.70000
  100    93    95    37.50000  110.70000
  100   102   103    37.50000  110.70000
  100   102   104    37.50000  110.70000
  100   102   105    37.50000  110.70000
  100   106   107    37.50000  110.70000
  100   106   108    37.50000  110.70000
  100   106   109    37.50000  110.70000
  102   100   101    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   100   101    37.50000  110.70000
  106   100   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   59    54    57    58.35000  112.70000
   59    54    87    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   96    86    39    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   71    55    56    35.00000  109.50000
   71    55    63    50.00000  109.50000
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
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   66    76    87    33  -0.07550 -1.0 2.0
   66    76    87    33   0.20000  1.0 3.0
   66    76   -87    54   0.56750  1.0 1.0
   66    76   -87    54  -0.07550 -1.0 2.0
   66    76   -87    54   0.20000  1.0 3.0
   66    76    87    91   0.86500  1.0 1.0
   66    76    87    91  -0.17500 -1.0 2.0
   66    76    87    91   0.20800  1.0 3.0
   67    66    76    77   0.15000  1.0 3.0
   67    66    76    78   0.15000  1.0 3.0
   67    66    76    87   0.15000  1.0 3.0
   68    66    76    77   0.15000  1.0 3.0
   68    66    76    78   0.15000  1.0 3.0
   68    66    76    87   0.15000  1.0 3.0
   76    87    91    92  -0.11600  1.0 1.0
   76    87    91    92  -0.09450 -1.0 2.0
   76    87    91    92   0.21250  1.0 3.0
   77    76    87    33   0.15000  1.0 3.0
   77    76    87    54   0.15000  1.0 3.0
   77    76    87    91   0.23400  1.0 3.0
   78    76    87    33   0.15000  1.0 3.0
   78    76    87    54   0.15000  1.0 3.0
   78    76    87    91   0.23400  1.0 3.0
   87    33    37    38   0.00000  1.0 1.0
   87    33    37    41   0.09850  1.0 1.0
   87    33    37    41   0.15250 -1.0 2.0
   87    33    37    41  -0.50650  1.0 3.0
   87    33    39    86   0.56750  1.0 1.0
   87    33    39    86  -0.07550 -1.0 2.0
   87    33    39    86   0.20000  1.0 3.0
   87    33    39    40   0.15000  1.0 3.0
   87    33   -39    43   0.56750  1.0 1.0
   87    33   -39    43  -0.07550 -1.0 2.0
   87    33   -39    43   0.20000  1.0 3.0
   87    54    57    58   0.15000  1.0 3.0
   87    54   -57    66   0.56750  1.0 1.0
   87    54   -57    66  -0.07550 -1.0 2.0
   87    54   -57    66   0.20000  1.0 3.0
   87    54    57    69   0.56750  1.0 1.0
   87    54    57    69  -0.07550 -1.0 2.0
   87    54    57    69   0.20000  1.0 3.0
   87    54    59    60   0.15000  1.0 3.0
   87    54    59    61   0.15000  1.0 3.0
   87    54    59    62   0.15000  1.0 3.0
   69    57    66    67   0.15000  1.0 3.0
   69    57    66    68   0.15000  1.0 3.0
   69    57    66    76   0.56750  1.0 1.0
   69    57    66    76  -0.07550 -1.0 2.0
   69    57    66    76   0.20000  1.0 3.0
   69    83    88    89   0.15000  1.0 3.0
   69    83    88    90   0.15000  1.0 3.0
   69    83    88    93   0.56750  1.0 1.0
   69    83    88    93  -0.07550 -1.0 2.0
   69    83    88    93   0.20000  1.0 3.0
   70    69    79    80   0.15000  1.0 3.0
   70    69    79    81   0.15000  1.0 3.0
   70    69    79    82   0.15000  1.0 3.0
   70    69    83    84   0.15000  1.0 3.0
   70    69    83    85   0.15000  1.0 3.0
   70    69    83    88   0.15000  1.0 3.0
   79    69    83    84   0.15000  1.0 3.0
   79    69    83    85   0.15000  1.0 3.0
   79    69    83    88   0.56750  1.0 1.0
   79    69    83    88  -0.07550 -1.0 2.0
   79    69    83    88   0.20000  1.0 3.0
   83    69    79    80   0.15000  1.0 3.0
   83    69    79    81   0.15000  1.0 3.0
   83    69    79    82   0.15000  1.0 3.0
   83    88    93    94   0.15000  1.0 3.0
   83    88    93    95   0.15000  1.0 3.0
   83    88    93   100   0.56750  1.0 1.0
   83    88    93   100  -0.07550 -1.0 2.0
   83    88    93   100   0.20000  1.0 3.0
   84    83    88    89   0.15000  1.0 3.0
   84    83    88    90   0.15000  1.0 3.0
   84    83    88    93   0.15000  1.0 3.0
   85    83    88    89   0.15000  1.0 3.0
   85    83    88    90   0.15000  1.0 3.0
   85    83    88    93   0.15000  1.0 3.0
   88    93   100   101   0.15000  1.0 3.0
   88    93   100   102   0.56750  1.0 1.0
   88    93   100   102  -0.07550 -1.0 2.0
   88    93   100   102   0.20000  1.0 3.0
   88    93   100   106   0.56750  1.0 1.0
   88    93   100   106  -0.07550 -1.0 2.0
   88    93   100   106   0.20000  1.0 3.0
   89    88    93    94   0.15000  1.0 3.0
   89    88    93    95   0.15000  1.0 3.0
   89    88    93   100   0.15000  1.0 3.0
   90    88    93    94   0.15000  1.0 3.0
   90    88    93    95   0.15000  1.0 3.0
   90    88    93   100   0.15000  1.0 3.0
   93   100   102   103   0.15000  1.0 3.0
   93   100   102   104   0.15000  1.0 3.0
   93   100   102   105   0.15000  1.0 3.0
   93   100   106   107   0.15000  1.0 3.0
   93   100   106   108   0.15000  1.0 3.0
   93   100   106   109   0.15000  1.0 3.0
   94    93   100   101   0.15000  1.0 3.0
   94    93   100   102   0.15000  1.0 3.0
   94    93   100   106   0.15000  1.0 3.0
   95    93   100   101   0.15000  1.0 3.0
   95    93   100   102   0.15000  1.0 3.0
   95    93   100   106   0.15000  1.0 3.0
  101   100   102   103   0.15000  1.0 3.0
  101   100   102   104   0.15000  1.0 3.0
  101   100   102   105   0.15000  1.0 3.0
  101   100   106   107   0.15000  1.0 3.0
  101   100   106   108   0.15000  1.0 3.0
  101   100   106   109   0.15000  1.0 3.0
  102   100   106   107   0.15000  1.0 3.0
  102   100   106   108   0.15000  1.0 3.0
  102   100   106   109   0.15000  1.0 3.0
  106   100   102   103   0.15000  1.0 3.0
  106   100   102   104   0.15000  1.0 3.0
  106   100   102   105   0.15000  1.0 3.0
   59    54    57    58   0.15000  1.0 3.0
   59    54    57    66   0.56750  1.0 1.0
   59    54    57    66  -0.07550 -1.0 2.0
   59    54    57    66   0.20000  1.0 3.0
   59    54    57    69   0.56750  1.0 1.0
   59    54    57    69  -0.07550 -1.0 2.0
   59    54    57    69   0.20000  1.0 3.0
   59    54    87    33   0.56750  1.0 1.0
   59    54    87    33  -0.07550 -1.0 2.0
   59    54    87    33   0.20000  1.0 3.0
   59    54    87    76   0.56750  1.0 1.0
   59    54    87    76  -0.07550 -1.0 2.0
   59    54    87    76   0.20000  1.0 3.0
   59    54    87    91   0.86500  1.0 1.0
   59    54    87    91  -0.17500 -1.0 2.0
   59    54    87    91   0.20800  1.0 3.0
   96    86    39    33   0.56750  1.0 1.0
   96    86    39    33  -0.07550 -1.0 2.0
   96    86    39    33   0.20000  1.0 3.0
   96    86    39    40   0.15000  1.0 3.0
   96    86    39    43   0.56750  1.0 1.0
   96    86    39    43  -0.07550 -1.0 2.0
   96    86    39    43   0.20000  1.0 3.0
   71    55    63    64   0.23400  1.0 3.0
   71    55    63    65   0.23400  1.0 3.0
   71    55    63    73   0.86500  1.0 1.0
   71    55    63    73  -0.17500 -1.0 2.0
   71    55    63    73   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
END
