* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    208    332     620
    1     0 S   NP   _N1_     1    28.71984    96.55867   -20.05907
    2     1 S   H    _HN1     2     1.02787    75.09580   -55.43880
    3     1 S   H    _H1_     3     1.02954    90.99966    53.23814
    4     1 S   H    _H2_     4     1.02848    43.78966   167.22874
    5     1 S   CT   _CA1     5     1.50079   152.28034  -164.92874
    6     5 S   HC   _HA1     6     1.09586   105.24415    38.95524
    7     5 S   CO3  _C1_     7     1.53751   112.29407   -81.18359
    8     7 S   O2Z  _O11     8     1.26333   115.06454   -48.91240
    9     7 S   O2Z  _O12     9     1.26236   114.81174   130.22969
   10     5 S   CT   _CB1    10     1.53075   107.46300   156.66420
   11    10 S   HC   HB11    11     1.09814   109.22467   -52.48435
   12    10 S   HC   HB12    12     1.09827   110.51170    64.03570
   13    10 S   CT   _CG1    13     1.52999   112.61210  -173.71509
   14    13 S   HC   HG11    14     1.09560   110.22046   -62.84289
   15    13 S   HC   HG12    15     1.09632   110.19399    56.27203
   16    13 S   C    _CD1    16     1.51785   112.18684   176.33654
   17    16 S   O    _OE1    17     1.22742   123.12921   -12.81458
   18    16 S   N    _N2_    18     1.38561   111.73923   168.05623
   19    18 S   H    _HN2    19     1.01605   119.08198    -0.14402
   20    18 S   CT1  _CA2    20     1.46296   123.47307  -178.95977
   21    20 S   HC   _HA2    21     1.09736   109.27931   -16.73775
   22    20 S   C    _C2_    22     1.53450   108.41812  -132.38134
   23    22 S   O    _O2_    23     1.23010   122.28829  -147.81310
   24    20 S   CT   _CB2    32     1.53422   111.20617   105.42497
   25    24 S   HC   HB21    33     1.09433   109.30233    53.66610
   26    24 S   HC   HB22    34     1.09491   110.78412   172.27424
   27    22 S   N    _N3_    24     1.38534   113.36542    39.78260
   28    27 S   H    _HN3    25     1.01527   118.87306    -0.72927
   29    24 S   S    _SG2    35     1.82930   111.45766   -68.41608
   30    27 S   CT   _CA3    26     1.45442   123.47216   175.05510
   31    30 S   HC   HA31    27     1.09521   109.26475    23.84630
   32    30 S   HC   HA32    28     1.09496   107.11294   140.85769
   33    29 S   CT   _C25    36     1.87250   100.21281   155.09005
   34    30 S   CO3  _C3_    29     1.52921   113.10898   -99.64962
   35    34 S   O2Z  _O31    30     1.26405   115.40800   -44.16334
   36    34 S   O2Z  _O32    31     1.26355   114.98314   136.78700
   37    33 S   CM   _C15    37     1.55465   110.39481   -70.07698
   38    33 S   CT   _C24    92     1.57617   110.91617   172.03447
   39    33 S   OH   _O36   110     1.42975   105.61868    55.84460
   40    39 S   HO   _H22   111     0.97314   108.25006  -112.30663
   41    37 S   CMA  _C14    38     1.36778   124.70003   127.44367
   42    41 S   OM   _O40    39     1.26763   125.98835   -13.28383
   43    38 S   OH   _O37    93     1.44109   108.94860   -54.12938
   44    43 S   HO   _H23    94     0.97556   106.66590   -45.23302
   45    41 S   CA   _C12    40     1.53584   114.98939   161.16928
   46    45 S   CA   _C11    41     1.41360   121.20023    23.21413
   47    46 S   CA   _C10    42     1.42261   121.66259   179.64723
   48    46 S   CT   _C17    75     1.50248   118.43875     0.74441
   49    48 S   HC   _H18    76     1.09825   107.28289    86.66445
   50    48 S   HC   _H19    77     1.09570   111.97310  -156.27917
   51    47 S   CA   _C9_    43     1.40568   118.99466     2.04143
   52    51 S   HA   _H16    44     1.08378   118.07088  -179.13092
   53    47 S   NE   _N8_    66     1.40325   120.69775  -177.20082
   54    37 S   CT   _C16    78     1.52048   111.63514   -58.52320
   55    54 S   HC   _H3_    79     1.09556   110.34944    50.17243
   56    51 S   CA   _C8_    45     1.39034   121.17581    -0.37949
   57    53 S   CT   _C29    67     1.45609   118.07954  -133.12734
   58    57 S   HC   _H33    68     1.09548   109.99276   162.71077
   59    57 S   HC   _H34    69     1.09581   111.17335    44.22434
   60    57 S   HC   _H35    70     1.09520   111.55057   -77.73738
   61    53 S   CT   _C30    71     1.45815   115.17327    81.63454
   62    61 S   HC   _H36    72     1.09511   110.25842  -169.62830
   63    61 S   HC   _H37    73     1.09582   110.66442    70.98621
   64    61 S   HC   _H38    74     1.09468   112.06940   -50.14803
   65    54 S   CT   _C18    80     1.52848   108.56046   -66.22100
   66    65 S   HC   _H20    81     1.09778   109.60283   177.92916
   67    65 S   HC   _H21    82     1.09577   109.19623   -66.20860
   68    45 S   CA   _C13    46     1.42049   122.26133  -154.64745
   69    56 S   N    _N5_    49     1.41765   123.86751   179.67736
   70    69 S   H    _H15    50     1.01842   113.73136   179.10256
   71    65 S   CT   _C19    83     1.55887   111.45893    57.74255
   72    71 S   HC   _H4_    84     1.09560   105.86211    68.27194
   73    68 S   OH   _O34    47     1.38034   122.10694     0.30132
   74    73 S   HO   _H17    48     0.97547   107.51993    -5.69633
   75    69 S   C    _C7_    51     1.38657   128.06010    -1.56373
   76    75 S   O    _O33    52     1.22794   127.62388    -1.64663
   77    71 S   CT   _C20    85     1.55861   110.06790  -175.21537
   78    77 S   HC   _H5_    86     1.10114   107.44604   -54.87077
   79    75 S   CT1  _C6_    53     1.51799   111.68694   179.20279
   80    79 S   HC   _H13    54     1.09529   107.81268    92.79377
   81    79 S   HC   _H14    55     1.09475   112.48226   -28.35926
   82    77 S   CMA  _C21    87     1.54124   109.28675    65.41790
   83    82 S   OM   _O39    88     1.26596   110.52727  -139.73468
   84    77 S   NP   _N7_   100     1.55474   109.92883  -168.08764
   85    84 S   H    _H26   101     1.03003   106.47817   -45.75832
   86    79 S   NP   _N4_    56     1.51757   111.68741  -149.30434
   87    86 S   H    _H9_    57     1.03017   106.65079   -46.18696
   88    82 S   CM   _C22    89     1.35610   118.61008    36.67984
   89    84 S   CT   _C27   102     1.50973   112.89330    71.09015
   90    89 S   HC   _H27   103     1.09304   108.56962    59.68304
   91    89 S   HC   _H28   104     1.09368   108.19973   180.00000
   92    89 S   HC   _H29   105     1.09048   109.16869   -61.88632
   93    84 S   CT   _C28   106     1.50887   114.43346  -162.71403
   94    93 S   HC   _H30   107     1.09291   108.71127   -58.86763
   95    93 S   HC   _H31   108     1.09219   108.78626    63.56262
   96    93 S   HC   _H32   109     1.09392   108.10847  -178.89217
   97    86 S   CT   _C4_    58     1.50510   112.68034    70.86146
   98    97 S   HC   _H6_    59     1.09328   108.58372    62.91376
   99    97 S   HC   _H7_    60     1.09325   107.98914  -176.72093
  100    97 S   HC   _H8_    61     1.09250   108.57657   -57.85889
  101    86 S   CT   _C5_    62     1.50305   111.79788  -162.67850
  102   101 S   HC   _H10    63     1.09325   108.58199   -62.49551
  103   101 S   HC   _H11    64     1.09314   108.10310    58.09059
  104   101 S   HC   _H12    65     1.09318   108.12293   176.89259
  105    88 S   CO4  _C23    90     1.49804   121.89834     2.03336
  106   105 S   O    _O35    91     1.23340   117.97748   157.88142
  107    88 S   C    _C26    95     1.49888   118.92804  -177.96606
  108   107 S   O    _O38    96     1.22633   123.12942   -52.24708
  109   107 S   N    _N6_    97     1.37543   112.98548   128.08341
  110   109 S   H    _H24    98     1.01525   122.89812     0.09279
  111   109 S   H    _H25    99     1.01333   120.26672   179.83449
  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
  19   2   1   1  19  19   6   1  11   4   8   2  13  15  18  11
   4   3  10   4   9   7   4   8   7   3   2   1   3   2   1   1
   9   4   3   5   8   3  12   5   1   1   8   4  16   7  12   5
   4  11   4  10   8   9   8   7   7   3   2   1   3   2   1   1
   7   3   2   1   3   2   1   1   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    71   105    38    43    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    48    54    55    65    71    72    77    88   105   106    38    43    44    39    40  
   35    36  
   36  
    0  
   41    42    45    46    68    48    49    50    54    55    65    66    67    71   105    38    43    39    40  
   43    44   107    84    39    40    41    54    65    66    67    71    72    77    78    82    88   105   106  
   40    41    43    54    71   105  
    0  
   42    45    46    47    56    68    73    48    54    55    65  
   45    46    68    54  
   44    65    71    72    77    88   105   106  
   71   105  
   46    47    51    56    68    73    74    69    53    48    49    50    54  
   47    51    52    56    68    73    53    57    61    48    49    50    54    55    65  
   51    52    56    68    69    53    57    58    59    60    61    62    63    64    48    49    50    54  
   49    50    54    55    65    66    67    71    51    53    68  
   50    54    55    65  
   54    55    65  
   52    56    68    73    69    70    75    53    57    61  
   56    68    69    53  
   57    58    59    60    61    62    63    64    56  
   55    65    66    67    71    72    77  
   65    66    67    71  
   68    73    74    69    70    75    76    79  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64  
   63    64  
   64  
    0  
   66    67    71    72    77    78    82   105    84  
   67    71    72    77  
   71    72    77  
   73    74    69    70    75  
   70    75    76    79    80    81    86    73  
   75    76    79  
   72    77    78    82    83    88   105   106    84    85    89    93  
   77    78    82   105    84  
   74  
    0  
   76    79    80    81    86    87    97   101  
   79    80    81    86  
   78    82    83    88   105   107    84    85    89    90    91    92    93    94    95    96  
   82    83    88    84    85    89    93  
   80    81    86    87    97    98    99   100   101   102   103   104  
   81    86    87    97   101  
   86    87    97   101  
   83    88   105   106   107   108   109    84    85    89    93  
   88   105   107    84  
   85    89    90    91    92    93    94    95    96    88  
   89    90    91    92    93    94    95    96  
   87    97    98    99   100   101   102   103   104  
   97    98    99   100   101   102   103   104  
  105   106   107   108   109   110   111  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93  
   94    95    96  
   95    96  
   96  
    0  
   98    99   100   101   102   103   104  
   99   100   101  
  100   101  
  101  
  102   103   104  
  103   104  
  104  
    0  
  106   107   108   109  
  107  
  108   109   110   111  
  109   110   111  
  110   111  
  111  
    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   0.432500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   70   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   77   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   83   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   84   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   85   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
   87   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   89   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   93   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   97   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  107   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  108   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
  109   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
  110   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
  111   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
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    38   268.000  1.529
   33    39   320.000  1.410
   37    41   465.000  1.376
   37    54   317.000  1.510
   41    42   745.000  1.250
   41    45   320.000  1.460
   45    46   469.000  1.400
   45    68   469.000  1.400
   46    47   469.000  1.400
   46    48   317.000  1.510
   47    51   469.000  1.400
   47    53   481.000  1.340
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    68   469.000  1.400
   56    69   360.000  1.404
   68    73   450.000  1.364
   73    74   553.000  0.945
   69    70   434.000  1.010
   69    75   490.000  1.335
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    86   367.000  1.471
   86    87   434.000  1.010
   86    97   367.000  1.471
   86   101   367.000  1.471
   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   340.000  1.090
  101   104   340.000  1.090
   53    57   382.000  1.448
   53    61   382.000  1.448
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    55   340.000  1.090
   54    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    77   268.000  1.529
   71    38   268.000  1.529
   77    78   340.000  1.090
   77    82   270.000  1.512
   77    84   367.000  1.471
   82    83   745.000  1.250
   82    88   465.000  1.376
   88   105   320.000  1.462
   88   107   410.000  1.444
  105   106   570.000  1.229
  105    38   317.000  1.522
   38    43   320.000  1.410
   43    44   553.000  0.945
  107   108   570.000  1.229
  107   109   490.000  1.335
  109   110   434.000  1.010
  109   111   434.000  1.010
   84    85   434.000  1.010
   84    89   367.000  1.471
   84    93   367.000  1.471
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   39    40   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    38    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    41    70.00000  124.00000
   33    37    54    65.00000  117.92700
   33    38    71    58.35000  112.70000
   33    38   105    63.00000  111.10000
   33    38    43    50.00000  109.50000
   33    39    40    55.00000  108.50000
   37    41    42    65.00000  137.10300
   37    41    45    60.00000  123.20500
   37    54    48    70.00000  112.02700
   37    54    55    35.00000  109.50000
   37    54    65    70.00000  112.02700
   41    45    46    60.00000  120.93500
   41    45    68    60.00000  120.93500
   45    41    42    85.00000  114.86500
   45    46    47    63.00000  120.00000
   45    46    48    70.00000  120.00000
   45    68    56    63.00000  120.00000
   45    68    73    70.00000  120.00000
   46    47    51    63.00000  120.00000
   46    47    53    70.00000  120.10000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    54    70.00000  112.17500
   47    51    52    35.00000  120.00000
   47    51    56    63.00000  120.00000
   47    53    57    50.00000  120.00000
   47    53    61    50.00000  120.00000
   51    56    68    63.00000  120.00000
   51    56    69    70.00000  119.01900
   56    51    52    35.00000  120.00000
   56    68    73    70.00000  120.00000
   56    69    70    45.00000  118.23600
   56    69    75    65.00000  121.96500
   68    45    46    63.00000  120.00000
   68    73    74    35.00000  113.00000
   69    56    68    70.00000  119.01900
   69    75    76    80.00000  122.90000
   69    75    79    70.00000  116.60000
   75    69    70    35.00000  119.80000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    86    80.00000  111.20000
   79    75    76    80.00000  120.40000
   79    86    87    35.00000  109.50000
   79    86    97    75.00000  113.01200
   79    86   101    75.00000  113.01200
   81    79    80    33.00000  107.80000
   86    79    80    35.00000  109.50000
   86    79    81    35.00000  109.50000
   86    97    98    35.00000  109.50000
   86    97    99    35.00000  109.50000
   86    97   100    35.00000  109.50000
   86   101   102    35.00000  109.50000
   86   101   103    35.00000  109.50000
   86   101   104    35.00000  109.50000
   97    86    87    35.00000  109.50000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
  101    86    87    35.00000  109.50000
  101    86    97    75.00000  113.01200
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   53    47    51    70.00000  120.10000
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    60    35.00000  109.50000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    53    57    50.00000  115.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   48    46    47    70.00000  120.00000
   48    54    55    37.50000  110.70000
   48    54    65    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    37    41    70.00000  124.00000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    65    66    37.50000  110.70000
   54    65    67    37.50000  110.70000
   54    65    71    58.35000  112.70000
   65    54    55    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    77    58.35000  112.70000
   65    71    38    58.35000  112.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    82    70.00000  112.02700
   71    77    84    80.00000  111.20000
   71    38   105    63.00000  111.10000
   71    38    43    50.00000  109.50000
   77    71    72    37.50000  110.70000
   77    82    83    85.00000  112.85300
   77    82    88    65.00000  122.18000
   77    84    85    35.00000  109.50000
   77    84    89    75.00000  113.01200
   77    84    93    75.00000  113.01200
   82    77    78    45.00000  110.52000
   82    88   105    60.00000  125.92000
   82    88   107    60.00000  120.04000
   88    82    83    65.00000  137.10300
   88   105   106    80.00000  123.72100
   88   105    38    65.00000  118.62400
   88   107   108    80.00000  125.30000
   88   107   109    80.00000  111.56200
  105    38    43    90.00000  109.61100
   38    33    37    70.00000  112.02700
   38    71    72    37.50000  110.70000
   38    71    77    58.35000  112.70000
   38   105   106    80.00000  120.40000
   38    43    44    55.00000  108.50000
  107    88   105    55.00000  123.68000
  107   109   110    35.00000  119.80000
  107   109   111    35.00000  119.80000
  109   107   108    80.00000  122.90000
  111   109   110    35.00000  120.00000
   84    77    78    35.00000  109.50000
   84    77    82    75.00000  110.06800
   84    89    90    35.00000  109.50000
   84    89    91    35.00000  109.50000
   84    89    92    35.00000  109.50000
   84    93    94    35.00000  109.50000
   84    93    95    35.00000  109.50000
   84    93    96    35.00000  109.50000
   89    84    85    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    84    85    35.00000  109.50000
   93    84    89    75.00000  113.01200
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   39    33    37    90.00000  110.39200
   39    33    38    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
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
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  107    88   105   106   2.50000 -1.0 2.0
  107    88   105    38   1.50000 -1.0 2.0
  108   107   109   110   2.45000 -1.0 2.0
  108   107   109   111   2.45000 -1.0 2.0
   84    77    82    83   0.09700  1.0 1.0
   84    77    82    83   0.15600 -1.0 2.0
   84    77    82    83  -0.50800  1.0 3.0
   84    77    82    88   0.80850  1.0 1.0
   84    77    82    88  -0.47300 -1.0 2.0
   84    77    82    88  -0.52300  1.0 3.0
   85    84    89    90   0.13050  1.0 3.0
   85    84    89    91   0.13050  1.0 3.0
   85    84    89    92   0.13050  1.0 3.0
   85    84    93    94   0.13050  1.0 3.0
   85    84    93    95   0.13050  1.0 3.0
   85    84    93    96   0.13050  1.0 3.0
   89    84    93    94   0.15000  1.0 3.0
   89    84    93    95   0.15000  1.0 3.0
   89    84    93    96   0.15000  1.0 3.0
   93    84    89    90   0.15000  1.0 3.0
   93    84    89    91   0.15000  1.0 3.0
   93    84    89    92   0.15000  1.0 3.0
   39    33    37    41   0.67800  1.0 1.0
   39    33    37    41   0.47050 -1.0 2.0
   39    33    37    41  -0.62500  1.0 3.0
   39    33    37    54   0.18000  1.0 1.0
   39    33    37    54   0.16450 -1.0 2.0
   39    33    37    54   0.04450  1.0 3.0
   39    33    38    71   0.86500  1.0 1.0
   39    33    38    71  -0.17500 -1.0 2.0
   39    33    38    71   0.20800  1.0 3.0
   39    33    38   105  -0.09450  1.0 1.0
   39    33    38   105  -1.12950 -1.0 2.0
   39    33    38   105   0.54000  1.0 3.0
   39    33    38    43   3.75450  1.0 1.0
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    54    37    41   1.10000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   46    68    45    41   4.00000 -1.0 2.0
   47    48    46    45   4.00000 -1.0 2.0
   51    53    47    46   4.00000 -1.0 2.0
   56    52    51    47   1.10000 -1.0 2.0
   68    69    56    51   4.00000 -1.0 2.0
   56    73    68    45   4.00000 -1.0 2.0
   70    75    69    56   1.00000 -1.0 2.0
   69    79    75    76  10.50000 -1.0 2.0
   61    47    53    57   1.00000 -1.0 2.0
   77    83    82    88   1.10000 -1.0 2.0
  105   107    88    82   1.10000 -1.0 2.0
   88    38   105   106  10.50000 -1.0 2.0
   88   109   107   108  10.50000 -1.0 2.0
  111   107   109   110   1.00000 -1.0 2.0
END
