* LIGAND DATABASE FILE (OPLS2005)
*
001     116   117    208    303     604
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02116   103.06864   -40.15343
    3     1 S   H    _H1_     3     1.02106    72.09920    65.59860
    4     1 S   H    _H2_     4     1.02095    41.52320  -143.69221
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C22    36     1.83457    97.79069  -178.17351
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C23    37     1.51771   109.83040   159.99726
   38    33 S   OS   _O36   112     1.41996   111.00715    37.15885
   39    37 S   CM   _C24    38     1.35246   120.06136   103.44682
   40    37 S   CT   _C25    73     1.52776   117.46944   -76.44510
   41    40 S   HC   _H21    74     1.09850   108.51653    35.11120
   42    40 S   HC   _H22    75     1.09471   111.39890   148.35469
   43    38 S   CT   _C26   113     1.42176   111.57008  -157.66748
   44    43 S   HC   _H23   114     1.09331   109.50579   179.98022
   45    43 S   HC   _H24   115     1.09292   109.53229    59.19451
   46    43 S   HC   _H25   116     1.09189   108.94881   -60.43744
   47    39 S   CM   _C19    39     1.46199   122.93673     9.80867
   48    39 S   OH   _O35   110     1.38183   123.92627  -172.86084
   49    48 S   HO   _H20   111     0.96154   109.70749     2.50835
   50    47 S   CM   _C20    40     1.33926   121.44943    -2.29234
   51    50 S   HC   _H19    41     1.08225   123.85279   176.95843
   52    47 S   N    _N4_    44     1.38441   114.68786   172.32484
   53    52 S   H    _H18    45     1.01880   113.90632    -0.98834
   54    33 S   CO4  _C21    42     1.52779   105.78708   -76.32370
   55    54 S   O    _O34    43     1.23241   122.09269    72.85003
   56    52 S   C    _C18    46     1.38762   129.83654  -176.94213
   57    56 S   O    _O33    47     1.22337   129.24715   -12.11473
   58    56 S   CM   _C17    48     1.49270   109.70617   167.00837
   59    58 S   CM   _C16    49     1.34518   113.96864   -76.18643
   60    59 S   HC   _H17    50     1.08863   118.44179    -4.44497
   61    58 S   CT   _C27   106     1.49156   116.67405   101.88398
   62    61 S   HC   _H26   107     1.09044   109.89208   -87.73826
   63    61 S   HC   _H27   108     1.09056   109.93012   152.14463
   64    61 S   HC   _H28   109     1.09075   109.91036    32.42440
   65    59 S   CM   _C15    51     1.44364   126.13386   170.81149
   66    65 S   HC   _H16    52     1.08719   116.68176   -16.61361
   67    65 S   CM   _C14    53     1.34163   126.06206   167.03028
   68    67 S   HC   _H15    54     1.09022   116.48332   176.08523
   69    67 S   CT   _C13    55     1.50563   128.10413    -8.30128
   70    69 S   HC   _H8_    56     1.09310   111.87602   -13.31917
   71    69 S   CT   _C12    57     1.54211   113.55241   113.93317
   72    71 S   HC   _H7_    58     1.09840   109.33268    49.97423
   73    69 S   OS   _O37   101     1.43592   105.37117  -127.39559
   74    71 S   CM   _C11    59     1.52308   115.51857   -75.28012
   75    71 S   OS   _O38    95     1.43476   108.91162   164.80534
   76    73 S   CT   _C28   102     1.41597   110.97641    80.00016
   77    76 S   HC   _H29   103     1.09238   109.49241   180.00000
   78    76 S   HC   _H30   104     1.09215   109.47982    59.20588
   79    76 S   HC   _H31   105     1.09250   108.99080   -60.43515
   80    74 S   CM   _C10    60     1.34970   120.18802   116.33004
   81    80 S   HC   _H14    61     1.08948   117.97780    -5.45517
   82    74 S   CT   _C30    91     1.50785   116.57588   -67.69681
   83    82 S   HC   _H34    92     1.08431   109.10147   -85.83227
   84    82 S   HC   _H35    93     1.08502   109.11807   153.96425
   85    82 S   HC   _H36    94     1.08534   109.07996    34.31771
   86    75 S   CO4  _C29    96     1.36316   115.60271  -147.31890
   87    86 S   O    _O39    97     1.22624   125.38787     0.02798
   88    80 S   CT   _C9_    62     1.52294   126.91234   169.82892
   89    88 S   HC   _H6_    63     1.09777   108.31466   -16.60914
   90    86 S   N    _N5_    98     1.37307   110.24141  -179.97202
   91    90 S   H    _H32    99     1.01479   119.24640  -179.96574
   92    90 S   H    _H33   100     1.01439   121.39868     0.00000
   93    88 S   CT   _C8_    64     1.54799   110.65043   102.35800
   94    93 S   HC   _H5_    65     1.11152   107.57852   -48.36363
   95    88 S   CT   _C31    87     1.53423   107.87607  -130.93340
   96    95 S   HC   _H37    88     1.08612   109.49155   -64.08445
   97    95 S   HC   _H38    89     1.08658   109.43866   175.84734
   98    95 S   HC   _H39    90     1.08690   109.45226    55.88895
   99    93 S   CT   _C7_    66     1.54996   116.65604  -168.14462
  100    99 S   HC   _H4_    67     1.09197   108.76086  -177.37289
  101    93 S   OH   _O40    85     1.42986   110.63431    66.81383
  102   101 S   HO   _H40    86     0.96828   106.20465   179.95154
  103    99 S   CT   _C6_    68     1.53858   112.34905    60.09803
  104   103 S   HC   _H12    69     1.09579   109.84690    33.95999
  105   103 S   HC   _H13    70     1.09779   108.50764   -81.56308
  106    99 S   OS   _O41    80     1.42545   110.80704   -61.56455
  107   103 S   CT   _C5_    71     1.55143   116.46740   157.66156
  108   107 S   HC   _H3_    72     1.09784   105.71055   172.44862
  109   106 S   CT   _C32    81     1.41999   111.35717   -76.13388
  110   109 S   HC   _H41    82     1.09306   109.46148   179.97202
  111   109 S   HC   _H42    83     1.09245   109.54403    59.23264
  112   109 S   HC   _H43    84     1.09215   108.99647   -60.43909
  113   107 S   CT   _C4_    76     1.53209   112.25182    57.36927
  114   113 S   HC   _H9_    77     1.08696   109.54460   -65.04995
  115   113 S   HC   _H10    78     1.08703   109.57049   174.94859
  116   113 S   HC   _H11    79     1.08781   109.58751    54.90600
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   2   1   1  17   9  13  15   5   4   4   2   1   1  11   3
   1   6   3   7   3   1   1   9   3   9  10   4   4   2   1   1
   7   3   9   4  13   6  15   6   6  12   7   3   2   1   1  15
   5   4   2   1   1   4   3  13   8   2   1   1  15   7   5   2
   1   1  14   7   3   1  10   5   4   5   5   4   3   2   1   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    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    50    54    55    40    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    47    50    51    54    55   107    40    41    42    48    38    43    44    45    46  
   35    36  
   36  
    0  
   39    47    50    54    55    52   103   107   108    40    41    42   113    48    49    38    43  
   43    44    45    46    39    40    50    54    55  
   47    50    51    54    52    53    56   107    40    41    42    48    49  
   41    42   113   114   115   116    48    47    54    99   103   104   105   107   108  
   42   113   103   107   108  
  113   103   107   108  
   44    45    46    54  
   45    46  
   46  
    0  
   50    51    54    55    52    53    56    57    58    48    49  
   49    50    52  
    0  
   51    54    55    52    53    56  
   54    55    52  
   53    56    57    58    59    61    54  
   56    57    58  
   55  
    0  
   57    58    59    60    65    61    62    63    64  
   58    59    61  
   59    60    65    66    67    61    62    63    64  
   60    65    66    67    68    69    61    62    63    64  
   65    66    67    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70    71    73  
   67    68    69  
   68    69    70    71    72    74    75    73    76  
   69    70    71    73  
   70    71    72    74    80    82    75    86    73    76    77    78    79  
   71    72    74    75    73    76  
   72    74    80    81    88    82    83    84    85    75    86    87    90    73    76  
   74    80    82    75    86    73  
   76    77    78    79    74    75  
   80    81    88    89    93    95    82    83    84    85    75    86  
   86    87    90    91    92    80    82  
   77    78    79  
   78    79  
   79  
    0  
   81    88    89    93    94    99   101    95    96    97    98    82    83    84    85  
   88    89    93    95    82  
   83    84    85    88  
   84    85  
   85  
    0  
   87    90    91    92  
   90    91    92  
   89    93    94    99   100   103   106   101   102    95    96    97    98  
   93    94    99   101    95    96    97    98  
   91    92  
   92  
    0  
   94    99   100   103   104   105   107   106   109   101   102    95    96    97    98  
   99   100   103   106   101   102    95  
   96    97    98    99   101  
   97    98  
   98  
    0  
  100   103   104   105   107   108   113   106   109   110   111   112   101   102  
  103   104   105   107   106   109   101  
  102   103   106  
    0  
  104   105   107   108   113   114   115   116   106   109  
  105   107   108   113   106  
  107   108   113   106  
  109   110   111   112   107  
  108   113   114   115   116  
  113   114   115   116  
  110   111   112  
  111   112  
  112  
    0  
  114   115   116  
  115   116  
  116  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.465900   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  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   88   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   91   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   92   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   93   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  101   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  103   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
  107   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  113   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   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    54   317.000  1.522
   33    38   320.000  1.410
   37    39   549.000  1.340
   37    40   317.000  1.510
   39    47   380.000  1.444
   39    48   510.000  1.338
   47    50   549.000  1.340
   47    52   400.000  1.384
   50    51   340.000  1.080
   50    54   320.000  1.462
   54    55   570.000  1.229
   52    53   434.000  1.010
   52    56   490.000  1.335
   56    57   570.000  1.229
   56    58   410.000  1.444
   58    59   549.000  1.340
   58    61   317.000  1.510
   59    60   340.000  1.080
   59    65   380.000  1.444
   65    66   340.000  1.080
   65    67   549.000  1.340
   67    68   340.000  1.080
   67    69   317.000  1.510
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    73   320.000  1.410
   71    72   340.000  1.090
   71    74   317.000  1.510
   71    75   320.000  1.410
   74    80   549.000  1.340
   74    82   317.000  1.510
   80    81   340.000  1.080
   80    88   317.000  1.510
   88    89   340.000  1.090
   88    93   268.000  1.529
   88    95   268.000  1.529
   93    94   340.000  1.090
   93    99   268.000  1.529
   93   101   320.000  1.410
   99   100   340.000  1.090
   99   103   268.000  1.529
   99   106   320.000  1.410
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   107   268.000  1.529
  107   108   340.000  1.090
  107    40   268.000  1.529
  107   113   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
  113   114   340.000  1.090
  113   115   340.000  1.090
  113   116   340.000  1.090
  106   109   320.000  1.410
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
  101   102   553.000  0.945
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   75    86   214.000  1.327
   86    87   570.000  1.229
   86    90   435.000  1.380
   90    91   434.000  1.010
   90    92   434.000  1.010
   73    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   48    49   553.000  0.945
   38    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    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    54    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    39    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    54    50    65.00000  118.62400
   33    54    55    80.00000  120.40000
   33    38    43    60.00000  109.50000
   37    39    47    70.00000  123.01800
   37    39    48    80.00000  121.38400
   37    40   107    70.00000  112.02700
   37    40    41    35.00000  109.50000
   37    40    42    35.00000  109.50000
   39    47    50    70.00000  123.01800
   39    47    52    75.00000  120.83300
   39    48    49    70.00000  107.45700
   47    50    51    35.00000  120.00000
   47    50    54    65.00000  118.96000
   47    52    53    45.00000  117.55000
   47    52    56    70.00000  120.89900
   50    54    55    80.00000  123.72100
   54    33    37    70.00000  109.06800
   54    50    51    40.00000  117.72500
   52    47    50    75.00000  120.83300
   52    56    57    80.00000  122.90000
   52    56    58    80.00000  111.56200
   56    52    53    35.00000  119.80000
   56    58    59    70.00000  118.70000
   56    58    61    70.00000  119.70000
   58    56    57    80.00000  125.30000
   58    59    60    35.00000  120.00000
   58    59    65    70.00000  123.01800
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   59    65    66    35.00000  120.00000
   59    65    67    70.00000  123.01800
   65    59    60    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    70.00000  124.00000
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  109.50000
   67    69    71    70.00000  112.02700
   67    69    73    85.00000  110.90400
   69    67    68    35.00000  117.00000
   69    71    72    37.50000  110.70000
   69    71    74    70.00000  112.02700
   69    71    75    50.00000  109.50000
   69    73    76    60.00000  109.50000
   71    69    70    37.50000  110.70000
   71    74    80    70.00000  124.00000
   71    74    82    65.00000  117.92700
   71    75    86    83.00000  116.90000
   74    71    72    35.00000  109.50000
   74    80    81    35.00000  120.00000
   74    80    88    70.00000  124.00000
   74    82    83    35.00000  109.50000
   74    82    84    35.00000  109.50000
   74    82    85    35.00000  109.50000
   80    88    89    35.00000  109.50000
   80    88    93    70.00000  112.02700
   80    88    95    70.00000  112.02700
   88    80    81    35.00000  117.00000
   88    93    94    37.50000  110.70000
   88    93    99    58.35000  112.70000
   88    93   101    50.00000  109.50000
   88    95    96    37.50000  110.70000
   88    95    97    37.50000  110.70000
   88    95    98    37.50000  110.70000
   93    88    89    37.50000  110.70000
   93    99   100    37.50000  110.70000
   93    99   103    58.35000  112.70000
   93    99   106    50.00000  109.50000
   93   101   102    55.00000  108.50000
   99    93    94    37.50000  110.70000
   99   103   104    37.50000  110.70000
   99   103   105    37.50000  110.70000
   99   103   107    58.35000  112.70000
   99   106   109    60.00000  109.50000
  103    99   100    37.50000  110.70000
  103   107   108    37.50000  110.70000
  103   107    40    58.35000  112.70000
  103   107   113    58.35000  112.70000
  105   103   104    33.00000  107.80000
  107   103   104    37.50000  110.70000
  107   103   105    37.50000  110.70000
  107    40    41    37.50000  110.70000
  107    40    42    37.50000  110.70000
  107   113   114    37.50000  110.70000
  107   113   115    37.50000  110.70000
  107   113   116    37.50000  110.70000
   40    37    39    70.00000  124.00000
   40   107   108    37.50000  110.70000
   42    40    41    33.00000  107.80000
  113   107   108    37.50000  110.70000
  113   107    40    58.35000  112.70000
  115   113   114    33.00000  107.80000
  116   113   114    33.00000  107.80000
  116   113   115    33.00000  107.80000
  106    99   100    35.00000  109.50000
  106    99   103    50.00000  109.50000
  106   109   110    35.00000  109.50000
  106   109   111    35.00000  109.50000
  106   109   112    35.00000  109.50000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
  101    93    94    35.00000  109.50000
  101    93    99    50.00000  109.50000
   95    88    89    37.50000  110.70000
   95    88    93    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   82    74    80    70.00000  124.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   75    71    72    35.00000  109.50000
   75    71    74    85.00000  110.90400
   75    86    87    83.00000  123.40000
   75    86    90   110.00000  108.75700
   86    90    91    50.00000  116.34900
   86    90    92    50.00000  116.34900
   90    86    87    85.00000  125.96000
   92    90    91    35.00000  120.00000
   73    69    70    35.00000  109.50000
   73    69    71    50.00000  109.50000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   61    58    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   48    39    47    80.00000  121.38400
   38    33    37    85.00000  110.90400
   38    33    54    90.00000  108.74100
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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
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   75    71    74    82   0.09700  1.0 1.0
   75    71    74    82   0.15600 -1.0 2.0
   75    71    74    82  -0.50800  1.0 3.0
   75    86    90    91   2.56700 -1.0 2.0
   75    86    90    92   2.56700 -1.0 2.0
   87    86    90    91   2.45000 -1.0 2.0
   87    86    90    92   2.45000 -1.0 2.0
   73    69    71    72   0.23400  1.0 3.0
   73    69    71    74   0.61850  1.0 1.0
   73    69    71    74  -0.22750 -1.0 2.0
   73    69    71    74   0.15300  1.0 3.0
   73    69    71    75   1.11900  1.0 1.0
   73    69    71    75  -1.16350 -1.0 2.0
   73    69    71    75  -0.34150  1.0 3.0
   61    58    59    60   7.00000 -1.0 2.0
   61    58    59    65   7.00000 -1.0 2.0
   48    39    47    50   0.50950  1.0 1.0
   48    39    47    50   0.56650 -1.0 2.0
   48    39    47    50   0.34050  1.0 3.0
   48    39    47    52   1.08500 -1.0 2.0
   38    33    37    39   0.39000  1.0 1.0
   38    33    37    39  -0.05800 -1.0 2.0
   38    33    37    39  -0.55150  1.0 3.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33    54    50   0.65300  1.0 1.0
   38    33    54    50  -0.03850 -1.0 2.0
   38    33    54    50   0.33900  1.0 3.0
   38    33    54    55   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    39   1.10000 -1.0 2.0
   47    48    39    37   1.10000 -1.0 2.0
   39    52    47    50   1.10000 -1.0 2.0
   54    51    50    47   1.10000 -1.0 2.0
   33    50    54    55  10.50000 -1.0 2.0
   53    56    52    47   1.00000 -1.0 2.0
   52    58    56    57  10.50000 -1.0 2.0
   56    61    58    59   1.10000 -1.0 2.0
   65    60    59    58   1.10000 -1.0 2.0
   59    66    65    67   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   71    82    74    80   1.10000 -1.0 2.0
   88    81    80    74   1.10000 -1.0 2.0
   75    90    86    87  10.50000 -1.0 2.0
   92    86    90    91   1.00000 -1.0 2.0
END
