* LIGAND DATABASE FILE (OPLS2005)
*
001     107   110    209    329     613
    1     0 S   NP   _N1_     1    28.59573    96.12240   -23.35802
    2     1 S   H    _HN1     2     1.02787   103.35723   -89.29524
    3     1 S   H    _H1_     3     1.02950    73.45675    16.19638
    4     1 S   H    _H2_     4     1.02829    37.65634   168.65361
    5     1 S   CT   _CA1     5     1.50112   139.93086   118.44951
    6     5 S   HC   _HA1     6     1.09573   105.19542    89.39999
    7     5 S   CO3  _C1_     7     1.53783   112.42146   -30.83972
    8     7 S   O2Z  _O11     8     1.26372   115.00934   -43.52782
    9     7 S   O2Z  _O12     9     1.26234   114.94118   135.54996
   10     5 S   CT   _CB1    10     1.53071   107.41546  -152.63358
   11    10 S   HC   HB11    11     1.09834   109.37121   -49.70724
   12    10 S   HC   HB12    12     1.09812   110.45709    66.89575
   13    10 S   CT   _CG1    13     1.52991   112.60844  -170.67431
   14    13 S   HC   HG11    14     1.09588   110.65135   -65.61600
   15    13 S   HC   HG12    15     1.09669   109.78907    53.62345
   16    13 S   C    _CD1    16     1.51802   112.17260   174.07924
   17    16 S   O    _OE1    17     1.22734   123.27635     7.33369
   18    16 S   N    _N2_    18     1.38607   111.67213  -172.78452
   19    18 S   H    _HN2    19     1.01591   118.98234     1.66789
   20    18 S   CT1  _CA2    20     1.46196   123.47094   178.03447
   21    20 S   HC   _HA2    21     1.09733   109.37278     3.31228
   22    20 S   C    _C2_    22     1.53584   108.82806  -112.23794
   23    22 S   O    _O2_    23     1.23072   122.25025  -149.60125
   24    20 S   CT   _CB2    32     1.53364   111.35966   125.35166
   25    24 S   HC   HB21    33     1.09459   109.57879    56.50076
   26    24 S   HC   HB22    34     1.09474   109.87537   175.10743
   27    22 S   N    _N3_    24     1.38322   113.77110    37.96462
   28    27 S   H    _HN3    25     1.01577   119.55256    -3.53524
   29    24 S   S    _SG2    35     1.83198   111.15587   -65.85772
   30    27 S   CT   _CA3    26     1.45281   123.24226   177.09728
   31    30 S   HC   HA31    27     1.09549   107.51958   -64.43443
   32    30 S   HC   HA32    28     1.09557   107.97889    52.00860
   33    29 S   CT   _C23    36     1.83568   102.06708   157.17853
   34    33 S   HC   _H8_    37     1.09217   106.43328  -178.08011
   35    30 S   CO3  _C3_    29     1.52965   114.06455   173.99723
   36    35 S   O2Z  _O31    30     1.26378   116.06404    -0.61802
   37    35 S   O2Z  _O32    31     1.26427   114.41673   179.44433
   38    33 S   CM   _C24    38     1.50579   113.33197   -61.39232
   39    38 S   CMA  _C25    39     1.34815   112.64646   138.31723
   40    39 S   OM   _O35    40     1.26039   133.93806   175.20846
   41    38 S   CT   _C26   104     1.49803   121.32924   -47.79050
   42    41 S   HC   _H28   105     1.09489   110.24423   -47.83882
   43    41 S   HC   _H29   106     1.09471   112.25491  -167.32586
   44    41 S   HC   _H30   107     1.09366   110.99323    72.59526
   45    39 S   CT   _C21    41     1.53969   110.44233    -0.71382
   46    45 S   CT   _C20    42     1.56281   113.71920  -132.80160
   47    46 S   HC   _H26    43     1.09990   107.12529    30.68177
   48    46 S   HC   _H27    44     1.09843   109.11074   -84.53778
   49    33 S   CT   _C22    59     1.54699   114.50708    57.34021
   50    49 S   HC   _H7_    60     1.09817   105.58439   -32.97241
   51    45 S   OH   _O36   102     1.42888   107.44600   105.57075
   52    51 S   HO   _H31   103     0.97387   106.55323    48.53130
   53    46 S   CM   _C19    45     1.52562   120.48130   150.83099
   54    53 S   CM   _C18    46     1.34710   126.51974    18.31019
   55    54 S   HC   _H25    47     1.08883   118.22520  -178.55166
   56    53 S   CT   _C27    92     1.51457   114.21902  -159.92656
   57    56 S   HC   _H32    93     1.09655   111.71445   178.61662
   58    56 S   HC   _H33    94     1.09684   109.55690    58.41496
   59    54 S   CT   _C13    48     1.50698   125.93588     6.27004
   60    59 S   HC   _H5_    49     1.09204   104.38194    51.68891
   61    56 S   OS   _O37    95     1.43659   108.69276   -61.44441
   62    59 S   C3T  _C14    50     1.51907   113.01298   167.78763
   63    62 S   HC   _H6_    51     1.08680   111.62454    48.15683
   64    61 S   CO4  _C28    96     1.36216   115.47764   177.35610
   65    64 S   O    _O38    97     1.22336   126.26883     0.48295
   66    62 S   C3T  _C9_    52     1.51115   115.09914  -176.52593
   67    64 S   CT   _C29    98     1.49835   109.58192  -179.57572
   68    67 S   HC   _H34    99     1.09289   109.83287   -61.25005
   69    67 S   HC   _H35   100     1.09380   109.36063   179.68472
   70    67 S   HC   _H36   101     1.09292   109.83182    60.66134
   71    66 S   CT   _C10    53     1.50927   114.08691     0.39515
   72    71 S   HC   _H17    54     1.09663   110.28987  -172.67330
   73    71 S   HC   _H18    55     1.09431   110.90789    72.12807
   74    62 S   C3T  _C15    67     1.51864   125.37671  -105.49903
   75    66 S   OS   _O34    76     1.44754   114.52986  -133.10559
   76    71 S   CT   _C11    56     1.55557   112.49271   -49.00644
   77    76 S   HC   _H4_    57     1.09693   104.37511   159.21400
   78    74 S   CT   _C16    68     1.51471   115.79798   148.91501
   79    78 S   HC   _H19    69     1.09481   110.29335   152.85622
   80    78 S   HC   _H20    70     1.09506   112.59448    32.10432
   81    78 S   HC   _H21    71     1.09530   110.19412   -87.70839
   82    74 S   CT   _C17    72     1.50886   121.38348     7.90701
   83    82 S   HC   _H22    73     1.09548   109.78437  -157.36108
   84    82 S   HC   _H23    74     1.09555   109.93491    84.02798
   85    82 S   HC   _H24    75     1.09075   114.78028   -36.66000
   86    75 S   CO4  _C8_    77     1.36616   117.79881  -148.30885
   87    86 S   O    _O33    78     1.22392   125.61406     0.60813
   88    59 S   CT   _C12    58     1.57223   115.45552   -67.19076
   89    76 S   CT   _C30    63     1.53929   108.49525   -87.16894
   90    89 S   HC   _H38    64     1.09435   111.85122    61.78987
   91    89 S   HC   _H39    65     1.09576   110.43672   -57.82220
   92    89 S   HC   _H40    66     1.09148   112.10444  -177.05989
   93    86 S   CT   _C6_    79     1.51793   109.56801  -178.19149
   94    93 S   HC   _H3_    80     1.09750   108.73072   -23.91387
   95    88 S   OH   _O39    61     1.44515   107.22267   -71.26986
   96    95 S   HO   _H37    62     0.97215   108.24555    58.33592
   97    93 S   CT   _C7_    81     1.52604   108.30063    94.34390
   98    97 S   HC   _H14    82     1.09576   111.30888    61.93195
   99    97 S   HC   _H15    83     1.09484   110.91357  -177.55648
  100    97 S   HC   _H16    84     1.09535   110.91149   -57.62023
  101    93 S   CT   _C5_    85     1.53527   111.45893  -143.30863
  102   101 S   HC   _H12    86     1.09690   109.34900  -172.67734
  103   101 S   HC   _H13    87     1.09681   110.61850   -55.27327
  104   101 S   CT   _C4_    88     1.52331   112.59711    66.94921
  105   104 S   HC   _H9_    89     1.09391   111.49220   -63.49243
  106   104 S   HC   _H10    90     1.09468   110.07481   176.95927
  107   104 S   HC   _H11    91     1.09463   111.00836    57.43213
  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   7   2   1   1  12  15   5   5   2   1   1  14  15   6   5
  15   5   3   1  11  14   5   7   3   2  15   7   6  19   7   5
   4  20   3   2   1   1  15   7   6  12   9   8   6   7   3   2
   1   3   2   1   1  11   4   6   4   2   1   1  12   8   1   1
   7   3   2   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    88    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    45    46    59    76    88    49    50    95    51    41    42    43    44  
   38    39    45    88    49    50    41  
   36    37  
   37  
    0  
   39    40    45    46    88    49    50    51    41    42    43    44  
   40    45    46    47    48    53    88    49    50    51    52    41    42    43    44  
   45    46    49    51    41  
   42    43    44    45    49  
   43    44  
   44  
    0  
   46    47    48    53    54    59    76    88    49    50    95    56    51    52  
   47    48    53    54    55    59    88    49    50    56    57    58    61    51    52  
   48    53    54    49    56    51  
   53    54    49    56    51  
   50    95    96    89    51    52    53    54    59    60    62    71    76    77    88  
   95    51    59    76    88  
   52    53    88  
    0  
   54    55    59    60    62    88    56    57    58    61    64  
   55    59    60    62    63    66    76    88    95    74    56    57    58    61  
   59    60    62    88    56  
   57    58    61    64    65    67    59  
   58    61    64  
   61    64  
   60    62    63    66    71    76    77    88    95    96    89    74    78    82    75  
   62    63    66    76    88    95    74  
   64    65    67    68    69    70  
   63    66    71    72    73    76    88    95    74    78    79    80    81    82    83    84    85    75    86  
   66    71    88    74    78    82    75  
   65    67    68    69    70  
   67    68    69    70  
   71    72    73    76    77    88    89    74    78    79    80    81    82    83    84    85    75    86    87    93  
   68    69    70  
   69    70  
   70  
    0  
   72    73    76    77    88    95    89    90    91    92    74    78    82    75    86  
   73    76    77    88    89    74    75  
   76    77    88    89    74    75  
   78    79    80    81    82    83    84    85    75    86    76    88  
   86    87    93    94    97   101    76    78    82  
   77    88    95    96    89    90    91    92  
   88    95    89    90    91    92  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
   87    93    94    97    98    99   100   101   102   103   104  
   93    94    97   101  
   95    96    89    90    91    92  
   90    91    92    95  
   91    92  
   92  
    0  
   94    97    98    99   100   101   102   103   104   105   106   107  
   97    98    99   100   101   102   103   104  
   96  
    0  
   98    99   100   101   102   103   104  
   99   100   101  
  100   101  
  101  
  102   103   104   105   106   107  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107  
  106   107  
  107  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    49   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    45   270.000  1.512
   45    46   268.000  1.529
   45    49   268.000  1.529
   45    51   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   317.000  1.510
   53    54   549.000  1.340
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    62   275.000  1.510
   59    88   268.000  1.529
   62    63   340.000  1.088
   62    66   260.000  1.509
   62    74   260.000  1.509
   66    71   275.000  1.510
   66    74   260.000  1.509
   66    75   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    88   268.000  1.529
   76    89   268.000  1.529
   88    49   268.000  1.529
   88    95   320.000  1.410
   49    50   340.000  1.090
   95    96   553.000  0.945
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   74    78   275.000  1.510
   74    82   275.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    93   317.000  1.522
   93    94   340.000  1.090
   93    97   268.000  1.529
   93   101   268.000  1.529
   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   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   320.000  1.410
   61    64   214.000  1.327
   64    65   570.000  1.229
   64    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   51    52   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    49    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    49    45    58.35000  112.70000
   33    49    88    58.35000  112.70000
   33    49    50    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    45    65.00000  122.18000
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   39    45    46    70.00000  112.02700
   39    45    49    70.00000  112.02700
   39    45    51    90.00000  110.39200
   45    39    40    85.00000  112.85300
   45    46    47    37.50000  110.70000
   45    46    48    37.50000  110.70000
   45    46    53    70.00000  112.02700
   45    49    88    58.35000  112.70000
   45    49    50    37.50000  110.70000
   45    51    52    55.00000  108.50000
   46    53    54    70.00000  124.00000
   46    53    56    65.00000  117.92700
   48    46    47    33.00000  107.80000
   53    46    47    35.00000  109.50000
   53    46    48    35.00000  109.50000
   53    54    55    35.00000  120.00000
   53    54    59    70.00000  124.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    61    85.00000  110.90400
   54    59    60    35.00000  109.50000
   54    59    62    70.00000  112.02700
   54    59    88    70.00000  112.02700
   59    54    55    35.00000  117.00000
   59    62    63    40.00000  115.04500
   59    62    66    60.00000  120.94000
   59    62    74    60.00000  120.94000
   59    88    76    58.35000  112.70000
   59    88    49    58.35000  112.70000
   59    88    95    50.00000  109.50000
   62    59    60    45.00000  109.38400
   62    66    71    60.00000  120.94000
   62    66    74    10.00000   60.00500
   62    66    75    50.00000  109.50000
   62    74    66    10.00000   60.00500
   62    74    78    60.00000  120.94000
   62    74    82    60.00000  120.94000
   66    62    63    37.50000  117.20000
   66    71    72    45.00000  109.38400
   66    71    73    45.00000  109.38400
   66    71    76    70.00000  112.37300
   66    74    78    60.00000  120.94000
   66    74    82    60.00000  120.94000
   66    75    86    83.00000  116.90000
   71    76    77    37.50000  110.70000
   71    76    88    58.35000  112.70000
   71    76    89    58.35000  112.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    88    49    58.35000  112.70000
   76    88    95    50.00000  109.50000
   76    89    90    37.50000  110.70000
   76    89    91    37.50000  110.70000
   76    89    92    37.50000  110.70000
   88    59    60    37.50000  110.70000
   88    59    62    70.00000  112.37300
   88    76    77    37.50000  110.70000
   88    49    50    37.50000  110.70000
   88    95    96    55.00000  108.50000
   49    33    34    37.50000  110.70000
   49    33    38    70.00000  112.02700
   49    45    46    58.35000  112.70000
   95    88    49    50.00000  109.50000
   89    76    77    37.50000  110.70000
   89    76    88    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   74    62    63    37.50000  117.20000
   74    62    66    10.00000   60.00500
   74    66    71    60.00000  120.94000
   74    78    79    45.00000  109.38400
   74    78    80    45.00000  109.38400
   74    78    81    45.00000  109.38400
   74    82    83    45.00000  109.38400
   74    82    84    45.00000  109.38400
   74    82    85    45.00000  109.38400
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    74    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   75    66    71    50.00000  109.50000
   75    66    74    50.00000  109.50000
   75    86    87    83.00000  123.40000
   75    86    93    81.00000  111.40000
   86    93    94    35.00000  109.50000
   86    93    97    63.00000  111.10000
   86    93   101    63.00000  111.10000
   93    86    87    80.00000  120.40000
   93    97    98    37.50000  110.70000
   93    97    99    37.50000  110.70000
   93    97   100    37.50000  110.70000
   93   101   102    37.50000  110.70000
   93   101   103    37.50000  110.70000
   93   101   104    58.35000  112.70000
   97    93    94    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
  101    93    94    37.50000  110.70000
  101    93    97    58.35000  112.70000
  101   104   105    37.50000  110.70000
  101   104   106    37.50000  110.70000
  101   104   107    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   56    53    54    70.00000  124.00000
   56    61    64    83.00000  116.90000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    64    65    83.00000  123.40000
   61    64    67    81.00000  111.40000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   67    64    65    80.00000  120.40000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   51    45    46    50.00000  109.50000
   51    45    49    50.00000  109.50000
   41    38    39    70.00000  124.00000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   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
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
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   74    66    75    86  -0.25900  1.0 1.0
   74    66    75    86  -0.47000 -1.0 2.0
   74    66    75    86   0.11750  1.0 3.0
   78    74    82    83   0.15000  1.0 3.0
   78    74    82    84   0.15000  1.0 3.0
   78    74    82    85   0.15000  1.0 3.0
   82    74    78    79   0.15000  1.0 3.0
   82    74    78    80   0.15000  1.0 3.0
   82    74    78    81   0.15000  1.0 3.0
   75    66    71    72   0.23400  1.0 3.0
   75    66    71    73   0.23400  1.0 3.0
   75    66    71    76   0.62750  1.0 1.0
   75    66    71    76  -0.30950 -1.0 2.0
   75    66    71    76   0.27300  1.0 3.0
   75    66   -74    62  -0.26800  1.0 1.0
   75    66   -74    62   0.69150 -1.0 2.0
   75    66   -74    62  -0.48750  1.0 3.0
   75    66    74    78   0.62750  1.0 1.0
   75    66    74    78  -0.30950 -1.0 2.0
   75    66    74    78   0.27300  1.0 3.0
   75    66    74    82   0.62750  1.0 1.0
   75    66    74    82  -0.30950 -1.0 2.0
   75    66    74    82   0.27300  1.0 3.0
   75    86    93    94   0.00000  1.0 1.0
   75    86    93    97   0.36750  1.0 3.0
   75    86    93   101   0.36750  1.0 3.0
   86    93    97    98  -0.11250  1.0 3.0
   86    93    97    99  -0.11250  1.0 3.0
   86    93    97   100  -0.11250  1.0 3.0
   86    93   101   102  -0.11250  1.0 3.0
   86    93   101   103  -0.11250  1.0 3.0
   86    93   101   104  -0.95700  1.0 1.0
   86    93   101   104  -0.18200 -1.0 2.0
   86    93   101   104   0.29450  1.0 3.0
   87    86    93    94   0.00000  1.0 1.0
   87    86    93    97   0.30150 -1.0 2.0
   87    86    93   101   0.30150 -1.0 2.0
   93   101   104   105   0.15000  1.0 3.0
   93   101   104   106   0.15000  1.0 3.0
   93   101   104   107   0.15000  1.0 3.0
   94    93    97    98   0.15000  1.0 3.0
   94    93    97    99   0.15000  1.0 3.0
   94    93    97   100   0.15000  1.0 3.0
   94    93   101   102   0.15000  1.0 3.0
   94    93   101   103   0.15000  1.0 3.0
   94    93   101   104   0.15000  1.0 3.0
   97    93   101   102   0.15000  1.0 3.0
   97    93   101   103   0.15000  1.0 3.0
   97    93   101   104   0.56750  1.0 1.0
   97    93   101   104  -0.07550 -1.0 2.0
   97    93   101   104   0.20000  1.0 3.0
  101    93    97    98   0.15000  1.0 3.0
  101    93    97    99   0.15000  1.0 3.0
  101    93    97   100   0.15000  1.0 3.0
  102   101   104   105   0.15000  1.0 3.0
  102   101   104   106   0.15000  1.0 3.0
  102   101   104   107   0.15000  1.0 3.0
  103   101   104   105   0.15000  1.0 3.0
  103   101   104   106   0.15000  1.0 3.0
  103   101   104   107   0.15000  1.0 3.0
   56    53    54    55   7.00000 -1.0 2.0
   56    53    54    59   7.00000 -1.0 2.0
   56    61    64    65   3.00000 -1.0 2.0
   56    61    64    67   1.63150  1.0 1.0
   56    61    64    67   2.92000 -1.0 2.0
   57    56    61    64   0.08050  1.0 3.0
   58    56    61    64   0.08050  1.0 3.0
   61    64    67    68   0.00000  1.0 1.0
   61    64    67    69   0.00000  1.0 1.0
   61    64    67    70   0.00000  1.0 1.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   51    45    46    47   0.23400  1.0 3.0
   51    45    46    48   0.23400  1.0 3.0
   51    45    46    53   1.05650  1.0 1.0
   51    45    46    53   0.15600 -1.0 2.0
   51    45    46    53   0.53150  1.0 3.0
   51    45    49    33   0.86500  1.0 1.0
   51    45    49    33  -0.17500 -1.0 2.0
   51    45    49    33   0.20800  1.0 3.0
   51    45    49    88   0.86500  1.0 1.0
   51    45    49    88  -0.17500 -1.0 2.0
   51    45    49    88   0.20800  1.0 3.0
   51    45    49    50   0.23400  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    45   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   45    40    39    38   1.10000 -1.0 2.0
   46    56    53    54   1.10000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   75    93    86    87  10.50000 -1.0 2.0
   61    67    64    65  10.50000 -1.0 2.0
END
