* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    224    360     676
    1     0 S   NP   _N1_     1    28.71622    94.70510   -22.71414
    2     1 S   H    _HN1     2     1.02949    85.03572    17.74871
    3     1 S   H    _H1_     3     1.02827    28.73843   158.37725
    4     1 S   H    _H2_     4     1.02781    98.70260   -90.08519
    5     1 S   CT   _CA1     5     1.50125   137.53338   132.80743
    6     5 S   HC   _HA1     6     1.09576   105.19603    72.15055
    7     5 S   CO3  _C1_     7     1.53793   112.26686   -48.02616
    8     7 S   O2Z  _O11     8     1.26375   115.00179   -46.18996
    9     7 S   O2Z  _O12     9     1.26228   114.91828   132.69710
   10     5 S   CT   _CB1    10     1.53066   107.38750  -169.98215
   11    10 S   HC   HB11    11     1.09832   109.36723   -50.07747
   12    10 S   HC   HB12    12     1.09812   110.47336    66.51631
   13    10 S   CT   _CG1    13     1.52983   112.59775  -171.06365
   14    13 S   HC   HG11    14     1.09585   110.55860   -64.86535
   15    13 S   HC   HG12    15     1.09664   109.86263    54.36000
   16    13 S   C    _CD1    16     1.51819   112.18936   174.76733
   17    16 S   O    _OE1    17     1.22738   123.28841     4.54110
   18    16 S   N    _N2_    18     1.38614   111.68652  -175.57406
   19    18 S   H    _HN2    19     1.01601   118.91388     1.39297
   20    18 S   CT1  _CA2    20     1.46271   123.42075   178.94149
   21    20 S   HC   _HA2    21     1.09733   109.42510    -0.61038
   22    20 S   C    _C2_    22     1.53449   108.65499  -116.22710
   23    22 S   O    _O2_    23     1.23054   122.27443  -148.07360
   24    20 S   CT   _CB2    32     1.53410   111.26291   121.39424
   25    24 S   HC   HB21    33     1.09278   109.24567    57.59388
   26    24 S   HC   HB22    34     1.09500   110.30881   175.97572
   27    22 S   N    _N3_    24     1.38335   113.65048    39.41805
   28    27 S   H    _HN3    25     1.01609   119.54855    -3.57193
   29    24 S   S    _SG2    35     1.82899   110.85604   -64.98223
   30    27 S   CT   _CA3    26     1.45283   123.14584   177.00468
   31    30 S   HC   HA31    27     1.09552   107.53657   -63.74347
   32    30 S   HC   HA32    28     1.09559   107.93621    52.66336
   33    29 S   CT   _C25    36     1.87689   102.68843   155.63762
   34    30 S   CO3  _C3_    29     1.52941   114.14130   174.65900
   35    34 S   O2Z  _O31    30     1.26367   116.07942    -0.12972
   36    34 S   O2Z  _O32    31     1.26433   114.40367   179.91844
   37    33 S   CT   _C30    37     1.54159   109.03734   -68.58307
   38    37 S   HC   _H43    38     1.09772   110.54368   176.94258
   39    37 S   HC   _H44    39     1.09378   112.66861    58.34776
   40    33 S   CT   _C24   105     1.54474   110.77470    52.34377
   41    40 S   HC   _H37   106     1.09561   111.62437   -57.83549
   42    40 S   HC   _H38   107     1.09924   108.77652  -173.31150
   43    37 S   CO4  _C29    40     1.51222   111.37159   -64.50326
   44    43 S   O    _O35    41     1.22977   121.65073   131.21431
   45    43 S   CT   _C28    42     1.50840   116.25802   -53.68696
   46    45 S   HC   _H41    43     1.09512   109.18983   170.68242
   47    45 S   HC   _H42    44     1.09574   107.66367   -72.43557
   48    45 S   CT   _C27    45     1.52558   111.73960    49.02873
   49    48 S   HC   _H39    46     1.09596   109.77568    75.23759
   50    48 S   HC   _H40    47     1.09540   107.10566  -169.78781
   51    33 S   CT   _C26    48     1.57313   109.94871   172.67324
   52    51 S   HC   _H7_    49     1.10180   106.87153   177.70800
   53    51 S   CT   _C21    50     1.55910   111.98457   -66.54624
   54    53 S   HC   _H5_    51     1.09833   108.51189    60.85610
   55    53 S   CT   _C20    52     1.54897   113.30831   177.85233
   56    55 S   HC   _H33    53     1.09610   109.73497    51.28326
   57    55 S   HC   _H34    54     1.09604   109.76883   -65.34986
   58    55 S   CT   _C19    55     1.53967   113.56412   174.68581
   59    58 S   HC   _H31    56     1.09779   108.42927    69.11717
   60    58 S   HC   _H32    57     1.09602   109.23222  -175.35472
   61    58 S   CT   _C18    58     1.53445   111.91113   -52.25392
   62    61 S   CT   _C17    59     1.54310   107.91286    55.79006
   63    62 S   HC   _H4_    60     1.10311   108.41619    55.81949
   64    61 S   CT   _C31   108     1.54998   109.25754   -69.45216
   65    64 S   HC   _H45   109     1.09444   112.50987  -177.43578
   66    64 S   HC   _H46   110     1.09302   112.79662    61.54730
   67    64 S   HC   _H47   111     1.09548   110.61155   -57.78009
   68    62 S   CT   _C16    61     1.52521   103.54210   168.07969
   69    68 S   HC   _H29    62     1.09476   112.01619  -155.14434
   70    68 S   HC   _H30    63     1.09568   111.53476    84.14465
   71    53 S   CT   _C22   100     1.55824   109.68304   -56.83139
   72    71 S   HC   _H6_   101     1.09722   108.66169   -60.58678
   73    68 S   CT   _C15    64     1.53809   103.98478   -34.82821
   74    73 S   HC   _H27    65     1.09596   110.74521   130.20229
   75    73 S   HC   _H28    66     1.09592   110.80853  -111.51349
   76    71 S   CT   _C23   102     1.53326   111.28161    56.65351
   77    76 S   HC   _H35   103     1.09655   109.80843  -175.80194
   78    76 S   HC   _H36   104     1.09599   110.41927    67.21157
   79    61 S   CT   _C14    67     1.54618   115.20253   165.61884
   80    79 S   HC   _H3_    68     1.09879   111.17035   -40.83172
   81    79 S   OS   _O34    69     1.43244   113.69923    84.55379
   82    81 S   CO4  _C13    70     1.36223   117.29378   -91.62216
   83    82 S   O    _O33    71     1.22389   126.32586    -1.70502
   84    82 S   CT   _C12    72     1.50913   110.11096   178.81601
   85    84 S   HC   _H25    73     1.09612   107.94494    56.86441
   86    84 S   HC   _H26    74     1.09616   108.42175   172.04855
   87    84 S   CT   _C11    75     1.52634   112.72964   -65.41219
   88    87 S   HC   _H23    76     1.09647   110.13937    56.24818
   89    87 S   HC   _H24    77     1.09680   108.53680   172.85861
   90    87 S   CT   _C10    78     1.53127   112.46924   -66.34294
   91    90 S   HC   _H21    79     1.09589   110.03062    58.74974
   92    90 S   HC   _H22    80     1.09674   109.54017   -58.74783
   93    90 S   CT   _C9_    81     1.52966   111.25904   179.88465
   94    93 S   HC   _H19    82     1.09674   109.60062    59.31914
   95    93 S   HC   _H20    83     1.09688   109.54115   -58.01151
   96    93 S   CT   _C8_    84     1.52951   111.27800  -179.24567
   97    96 S   HC   _H17    85     1.09679   109.57201   -58.80568
   98    96 S   HC   _H18    86     1.09689   109.55241    58.47944
   99    96 S   CT   _C7_    87     1.52949   111.32919   179.80416
  100    99 S   HC   _H15    88     1.09681   109.56837    58.73257
  101    99 S   HC   _H16    89     1.09682   109.56551   -58.55703
  102    99 S   CT   _C6_    90     1.52954   111.32467  -179.90309
  103   102 S   HC   _H13    91     1.09685   109.57451    58.62836
  104   102 S   HC   _H14    92     1.09684   109.57683   -58.64135
  105   102 S   CT   _C5_    93     1.52846   111.32841   180.00000
  106   105 S   HC   _H11    94     1.09622   109.86616   -58.85670
  107   105 S   HC   _H12    95     1.09622   109.86595    58.87195
  108   105 S   CT   _C4_    96     1.52036   111.49359  -180.00000
  109   108 S   HC   _H8_    97     1.09469   111.00125   -60.25654
  110   108 S   HC   _H9_    98     1.09449   110.26112  -180.00000
  111   108 S   HC   _H10    99     1.09469   111.00078    60.26328
  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  13   5   4   3
  21   2   1   1  15   6   5  13   6   5   8   4   8   5   4   8
   4   3  11   4  16   8  12   6   5  15   5   4  19  19   9   9
   3   2   1  11   6   5   6   3   6   4   3   2   1   1   5   2
   6   8   4   9   5   4   9   5   4   9   5   4   9   5   4   9
   5   4   9   5   4   9   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    53    76    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    54    55    71    76    77    78    40    41    42  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    53    76    40    41    42  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    43    48    51    52    53    62    71    72    76    77    78  
   42    51    71    76    77    78  
   51    71    76    77    78  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    53  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    54    55    71  
   50    51    52    53  
   51    52    53  
   52    53    54    55    56    57    58    62    71    72    76  
   53    54    55    71  
   54    55    56    57    58    59    60    61    62    63    68    71    72    76    77    78  
   55    56    57    58    62    71    72    76  
   56    57    58    59    60    61    62    79    71    72    76    64  
   57    58    59    60    61    71  
   58    59    60    61    71  
   59    60    61    62    63    68    73    79    80    81    71    64    65    66    67  
   60    61    62    79    64  
   61    62    79    64  
   62    63    68    69    70    73    74    75    79    80    81    82    71    72    76    64    65    66    67  
   63    68    69    70    73    74    75    79    80    81    71    72    76    77    78    64    65    66    67  
   68    69    70    73    79    71    72    76    64  
   65    66    67    68    71    73    79    80    81  
   66    67    79  
   67    79  
   79  
   69    70    73    74    75    79    80    81    71    72    76  
   70    73    74    75    79    71  
   73    74    75    79    71  
   72    76    77    78    73    79  
   76    77    78  
   74    75    79    80    81    82  
   75    79    80    81  
   79    80    81  
   77    78  
   78  
    0  
   80    81    82    83    84  
   81    82  
   82    83    84    85    86    87  
   83    84    85    86    87    88    89    90  
   84    85    86    87  
   85    86    87    88    89    90    91    92    93  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90    91    92    93    94    95    96  
   89    90    91    92    93  
   90    91    92    93  
   91    92    93    94    95    96    97    98    99  
   92    93    94    95    96  
   93    94    95    96  
   94    95    96    97    98    99   100   101   102  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99   100   101   102   103   104   105  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102   103   104   105   106   107   108  
  101   102   103   104   105  
  102   103   104   105  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108  
  105   106   107   108  
  106   107   108   109   110   111  
  107   108   109   110   111  
  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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   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   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    71   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   268.000  1.529
   61    79   268.000  1.529
   61    64   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    81   320.000  1.410
   81    82   214.000  1.327
   82    83   570.000  1.229
   82    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   71    72   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    53    58.35000  112.70000
   33    40    76    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    58.35000  112.70000
   51    53    71    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    58    58.35000  112.70000
   53    71    62    58.35000  112.70000
   53    71    72    37.50000  110.70000
   53    71    76    58.35000  112.70000
   55    53    54    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    58.35000  112.70000
   58    61    79    58.35000  112.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    68    58.35000  112.70000
   61    62    71    58.35000  112.70000
   61    79    73    58.35000  112.70000
   61    79    80    37.50000  110.70000
   61    79    81    50.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    73    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    76    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    79    58.35000  112.70000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    50.00000  109.50000
   75    73    74    33.00000  107.80000
   79    61    62    58.35000  112.70000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    81    82    83.00000  116.90000
   81    79    80    35.00000  109.50000
   81    82    83    83.00000  123.40000
   81    82    84    81.00000  111.40000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    87    63.00000  111.10000
   84    82    83    80.00000  120.40000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   87    90    91    37.50000  110.70000
   87    90    92    37.50000  110.70000
   87    90    93    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    37.50000  110.70000
   90    87    89    37.50000  110.70000
   90    93    94    37.50000  110.70000
   90    93    95    37.50000  110.70000
   90    93    96    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   93    96    97    37.50000  110.70000
   93    96    98    37.50000  110.70000
   93    96    99    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    37.50000  110.70000
   96    99   100    37.50000  110.70000
   96    99   101    37.50000  110.70000
   96    99   102    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102   104    37.50000  110.70000
   99   102   105    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   105   106    37.50000  110.70000
  102   105   107    37.50000  110.70000
  102   105   108    58.35000  112.70000
  104   102   103    33.00000  107.80000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  105   108   109    37.50000  110.70000
  105   108   110    37.50000  110.70000
  105   108   111    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    37.50000  110.70000
  108   105   107    37.50000  110.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   71    53    54    37.50000  110.70000
   71    53    55    58.35000  112.70000
   71    62    63    37.50000  110.70000
   71    62    68    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    40    58.35000  112.70000
   76    71    72    37.50000  110.70000
   76    40    41    37.50000  110.70000
   76    40    42    37.50000  110.70000
   78    76    77    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    76    77    37.50000  110.70000
   40    76    78    37.50000  110.70000
   42    40    41    33.00000  107.80000
   64    61    62    58.35000  112.70000
   64    61    79    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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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   88    87    90    93   0.15000  1.0 3.0
   89    87    90    91   0.15000  1.0 3.0
   89    87    90    92   0.15000  1.0 3.0
   89    87    90    93   0.15000  1.0 3.0
   90    93    96    97   0.15000  1.0 3.0
   90    93    96    98   0.15000  1.0 3.0
   90    93    96    99   0.56750  1.0 1.0
   90    93    96    99  -0.07550 -1.0 2.0
   90    93    96    99   0.20000  1.0 3.0
   91    90    93    94   0.15000  1.0 3.0
   91    90    93    95   0.15000  1.0 3.0
   91    90    93    96   0.15000  1.0 3.0
   92    90    93    94   0.15000  1.0 3.0
   92    90    93    95   0.15000  1.0 3.0
   92    90    93    96   0.15000  1.0 3.0
   93    96    99   100   0.15000  1.0 3.0
   93    96    99   101   0.15000  1.0 3.0
   93    96    99   102   0.56750  1.0 1.0
   93    96    99   102  -0.07550 -1.0 2.0
   93    96    99   102   0.20000  1.0 3.0
   94    93    96    97   0.15000  1.0 3.0
   94    93    96    98   0.15000  1.0 3.0
   94    93    96    99   0.15000  1.0 3.0
   95    93    96    97   0.15000  1.0 3.0
   95    93    96    98   0.15000  1.0 3.0
   95    93    96    99   0.15000  1.0 3.0
   96    99   102   103   0.15000  1.0 3.0
   96    99   102   104   0.15000  1.0 3.0
   96    99   102   105   0.56750  1.0 1.0
   96    99   102   105  -0.07550 -1.0 2.0
   96    99   102   105   0.20000  1.0 3.0
   97    96    99   100   0.15000  1.0 3.0
   97    96    99   101   0.15000  1.0 3.0
   97    96    99   102   0.15000  1.0 3.0
   98    96    99   100   0.15000  1.0 3.0
   98    96    99   101   0.15000  1.0 3.0
   98    96    99   102   0.15000  1.0 3.0
   99   102   105   106   0.15000  1.0 3.0
   99   102   105   107   0.15000  1.0 3.0
   99   102   105   108   0.56750  1.0 1.0
   99   102   105   108  -0.07550 -1.0 2.0
   99   102   105   108   0.20000  1.0 3.0
  100    99   102   103   0.15000  1.0 3.0
  100    99   102   104   0.15000  1.0 3.0
  100    99   102   105   0.15000  1.0 3.0
  101    99   102   103   0.15000  1.0 3.0
  101    99   102   104   0.15000  1.0 3.0
  101    99   102   105   0.15000  1.0 3.0
  102   105   108   109   0.15000  1.0 3.0
  102   105   108   110   0.15000  1.0 3.0
  102   105   108   111   0.15000  1.0 3.0
  103   102   105   106   0.15000  1.0 3.0
  103   102   105   107   0.15000  1.0 3.0
  103   102   105   108   0.15000  1.0 3.0
  104   102   105   106   0.15000  1.0 3.0
  104   102   105   107   0.15000  1.0 3.0
  104   102   105   108   0.15000  1.0 3.0
  106   105   108   109   0.15000  1.0 3.0
  106   105   108   110   0.15000  1.0 3.0
  106   105   108   111   0.15000  1.0 3.0
  107   105   108   109   0.15000  1.0 3.0
  107   105   108   110   0.15000  1.0 3.0
  107   105   108   111   0.15000  1.0 3.0
   71    53    55    56   0.15000  1.0 3.0
   71    53    55    57   0.15000  1.0 3.0
   71    53   -55    58   0.56750  1.0 1.0
   71    53   -55    58  -0.07550 -1.0 2.0
   71    53   -55    58   0.20000  1.0 3.0
   71    62    68    69   0.15000  1.0 3.0
   71    62    68    70   0.15000  1.0 3.0
   71    62    68    73   0.56750  1.0 1.0
   71    62    68    73  -0.07550 -1.0 2.0
   71    62    68    73   0.20000  1.0 3.0
   71    76   -40    33   0.56750  1.0 1.0
   71    76   -40    33  -0.07550 -1.0 2.0
   71    76   -40    33   0.20000  1.0 3.0
   71    76    40    41   0.15000  1.0 3.0
   71    76    40    42   0.15000  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    40   0.15000  1.0 3.0
   77    76    40    33   0.15000  1.0 3.0
   77    76    40    41   0.15000  1.0 3.0
   77    76    40    42   0.15000  1.0 3.0
   78    76    40    33   0.15000  1.0 3.0
   78    76    40    41   0.15000  1.0 3.0
   78    76    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33    51    52   0.15000  1.0 3.0
   40    33   -51    53   0.56750  1.0 1.0
   40    33   -51    53  -0.07550 -1.0 2.0
   40    33   -51    53   0.20000  1.0 3.0
   64    61    62    63   0.15000  1.0 3.0
   64    61    62    68   0.56750  1.0 1.0
   64    61    62    68  -0.07550 -1.0 2.0
   64    61    62    68   0.20000  1.0 3.0
   64    61    62    71   0.56750  1.0 1.0
   64    61    62    71  -0.07550 -1.0 2.0
   64    61    62    71   0.20000  1.0 3.0
   64    61    79    73   0.56750  1.0 1.0
   64    61    79    73  -0.07550 -1.0 2.0
   64    61    79    73   0.20000  1.0 3.0
   64    61    79    80   0.15000  1.0 3.0
   64    61    79    81   0.62750  1.0 1.0
   64    61    79    81  -0.30950 -1.0 2.0
   64    61    79    81   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   81    84    82    83  10.50000 -1.0 2.0
END
