* LIGAND DATABASE FILE (OPLS2005)
*
001     111   115    218    351     655
    1     0 S   NP   _N1_     1    28.98040    91.89847   -19.91010
    2     1 S   H    _HN1     2     1.02777    85.06483   -79.21358
    3     1 S   H    _H1_     3     1.02962   110.68834    28.49789
    4     1 S   H    _H2_     4     1.02834    23.44749   113.88982
    5     1 S   CT   _CA1     5     1.50173   126.65133   166.67101
    6     5 S   HC   _HA1     6     1.09571   105.22403    39.61247
    7     5 S   CO3  _C1_     7     1.53851   112.08065   -80.54919
    8     7 S   O2Z  _O11     8     1.26408   115.05017   -46.58315
    9     7 S   O2Z  _O12     9     1.26244   114.86263   132.10833
   10     5 S   CT   _CB1    10     1.53052   107.35654   157.47737
   11    10 S   HC   HB11    11     1.09823   109.46391   -48.92456
   12    10 S   HC   HB12    12     1.09837   110.32667    67.59731
   13    10 S   CT   _CG1    13     1.53081   112.79261  -170.06059
   14    13 S   HC   HG11    14     1.09494   110.27184   -58.16829
   15    13 S   HC   HG12    15     1.09602   110.31016    60.92540
   16    13 S   C    _CD1    16     1.51866   111.62262  -179.20623
   17    16 S   O    _OE1    17     1.22802   122.88205   -20.56272
   18    16 S   N    _N2_    18     1.38596   112.16660   160.24569
   19    18 S   H    _HN2    19     1.01584   119.12160     1.59643
   20    18 S   CT1  _CA2    20     1.46396   123.20505  -175.24482
   21    20 S   HC   _HA2    21     1.09732   109.32516   -14.17976
   22    20 S   C    _C2_    22     1.53330   108.60700  -130.13848
   23    22 S   O    _O2_    23     1.23021   122.21433  -146.59869
   24    20 S   CT   _CB2    32     1.53826   111.27086   107.60647
   25    24 S   HC   HB21    33     1.09378   108.58874    58.07774
   26    24 S   HC   HB22    34     1.09418   110.37358   176.92184
   27    22 S   N    _N3_    24     1.38502   113.37653    40.83531
   28    27 S   H    _HN3    25     1.01535   118.87657    -0.70638
   29    24 S   S    _SG2    35     1.82791   110.90437   -62.74606
   30    27 S   CT   _CA3    26     1.45432   123.39149   175.17537
   31    30 S   HC   HA31    27     1.09530   109.15530    26.00650
   32    30 S   HC   HA32    28     1.09495   107.14704   142.97896
   33    29 S   CT   _C23    36     1.86885   103.12911   173.24109
   34    30 S   CO3  _C3_    29     1.52920   113.15537   -97.42203
   35    34 S   O2Z  _O31    30     1.26400   115.41829   -44.98023
   36    34 S   O2Z  _O32    31     1.26359   114.98233   135.97656
   37    33 S   CT   _C24    37     1.54335   109.91088   -46.15286
   38    37 S   HC   _H19    38     1.09570   111.74194    77.96150
   39    37 S   HC   _H20    39     1.09357   112.64816   -43.25504
   40    37 S   HC   _H21    40     1.09616   111.17449  -163.01546
   41    33 S   CT   _C22    41     1.55543   106.67830  -164.66321
   42    41 S   HC   _H17    42     1.09576   110.71232   176.88995
   43    41 S   HC   _H18    43     1.09690   111.06172   -66.75993
   44    33 S   CT   _C25   102     1.57689   109.64979    74.45176
   45    44 S   HC   _H22   103     1.09873   107.74684   -60.94121
   46    41 S   CO4  _C21    44     1.51931   116.13127    54.34027
   47    46 S   O    _O37    45     1.22467   123.46459  -100.74784
   48    44 S   CT   _C26   104     1.53902   113.23403  -177.67476
   49    48 S   HC   _H23   105     1.09423   111.82258   -63.58684
   50    48 S   HC   _H24   106     1.09355   111.81998    58.26946
   51    48 S   HC   _H25   107     1.09609   110.41317   176.91250
   52    44 S   CT   _C27   108     1.53863   115.09244    57.70101
   53    52 S   HC   _H26   109     1.09413   111.90063    65.42554
   54    52 S   HC   _H27   110     1.09296   112.41834   -56.89160
   55    52 S   HC   _H28   111     1.09634   110.14432  -175.58492
   56    46 S   OS   _O36    46     1.36279   110.58842    79.23450
   57    56 S   CT   _C19    47     1.43985   117.62387  -176.54895
   58    57 S   HC   _H9_    48     1.09133   110.46201   -24.63346
   59    57 S   CO4  _C20    49     1.52135   107.90927    91.61286
   60    59 S   O    _O34    50     1.22842   122.54173   -31.36620
   61    57 S   CT   _C18    74     1.51680   108.39147  -148.64457
   62    61 S   HC   _H8_    75     1.10473   105.86152   -52.03832
   63    59 S   OS   _O35    51     1.35546   116.65286   153.59940
   64    65 S   CT   _C13    76     1.52475   112.38539    36.32427
   65    63 S   CT   _C12    52     1.45996   124.76139   -28.91518
   66    65 S   HC   _H4_    53     1.09725   105.35137   -84.24542
   67    64 S   CT   _C28    77     1.53357   115.03327  -155.04075
   68    67 S   HC   _H29    78     1.08696   116.08583   -89.21642
   69    67 S   HC   _H30    79     1.09640   112.04504    34.54942
   70    65 S   CT   _C11    54     1.53096   106.01565   161.41415
   71    70 S   HC   _H15    55     1.09480   110.49877   167.01920
   72    70 S   HC   _H16    56     1.09658   107.15771    51.23360
   73   102 S   OS   _O38    80     1.46207   106.42558   -53.97825
   74    70 S   CT   _C10    57     1.54531   111.36310   -68.70034
   75    74 S   HC   _H3_    58     1.09892   106.22851    53.98454
   76    74 S   CM   _C5_    59     1.52940   115.58340   168.31939
   77    76 S   CM   _C6_    60     1.34708   121.47379   156.74985
   78    76 S   CT   _C4_    98     1.50750   117.57268   -26.89237
   79    78 S   HC   _H10    99     1.09499   110.23660   -54.14553
   80    78 S   HC   _H11   100     1.09443   113.09645  -173.63290
   81    78 S   HC   _H12   101     1.09463   110.47219    66.46191
   82    77 S   CO4  _C7_    61     1.48996   120.72872    -0.00000
   83    82 S   O    _O33    62     1.23158   119.37003   176.67139
   84    77 S   OH   _O43    96     1.38052   122.29077   178.81502
   85    84 S   HO   _H39    97     0.97440   106.85341  -178.97149
   86    82 S   CT   _C8_    63     1.51248   119.39625    -0.94460
   87    86 S   HC   _H13    64     1.09692   106.87112    95.43509
   88    86 S   HC   _H14    65     1.09637   107.36287  -149.04128
   89    74 S   CT   _C9_    66     1.56699   110.11552   -62.13149
   90    89 S   CT   _C14    67     1.59096   108.00364    58.87175
   91    90 S   HC   _H5_    68     1.09875   102.86188    62.05504
   92    89 S   CT   _C31    92     1.55221   110.40666   -66.98342
   93    92 S   HC   _H36    93     1.08870   113.04873    65.01326
   94    92 S   HC   _H37    94     1.09504   112.26379   -53.89703
   95    92 S   HC   _H38    95     1.09233   112.23391  -172.02688
   96    90 S   CT   _C15    69     1.56308   116.21802   174.47433
   97    96 S   HC   _H6_    70     1.09614   108.42811   -63.17597
   98    96 S   CT   _C16    71     1.54763   112.38244   176.07964
   99    98 S   HC   _H7_    72     1.09757   109.36984  -160.13861
  100    96 S   OH   _O42    90     1.42245   111.43231    53.94521
  101   100 S   HO   _H35    91     0.97230   108.01280  -175.16758
  102    98 S   CT   _C17    73     1.54389   111.75746   -39.77142
  103    98 S   OH   _O41    88     1.42413   108.91467    83.06976
  104   103 S   HO   _H34    89     0.97252   107.95382    61.97258
  105   102 S   CO4  _C29    81     1.52651   114.42106  -168.34780
  106   105 S   O    _O39    82     1.22612   124.16336   132.60470
  107   105 S   OS   _O40    83     1.36254   111.19519   -48.25088
  108   107 S   CT   _C30    84     1.43070   115.43543   178.80008
  109   108 S   HC   _H31    85     1.09327   108.07683  -179.88297
  110   108 S   HC   _H32    86     1.09425   110.32698    61.41909
  111   108 S   HC   _H33    87     1.09416   110.27768   -61.22972
  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
  20   2   1   1  11   4   3   2  10   5   4  10   8   6   2   7
   3   2   1   3   2   1   1   9  14   7   9   3  21   8   9  21
  16   6  11   4   3  11   5   4   9  20   7  13  12   6   2   1
   1   9   5   2   1  10   4   3  10  13   5   4   2   1   1   9
   6   9   5   3   1   6   2   1   6   2   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    41    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    46    44    45    48    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    46    47    56    44    45    48    49    50    51    52    53    54    55  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    44    45    48    52  
   39    40    41    44  
   40    41    44  
   41    44  
   42    43    46    47    56    57    44    45    48    52  
   43    46    47    56    44  
   46    47    56    44  
   45    48    49    50    51    52    53    54    55    46  
   48    49    50    51    52    53    54    55  
   47    56    57    58    59    61  
   56    57  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52  
   52  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60    63   102    61    62    64  
   58    59    60    63    65    90    98   102    61    62    64    67    73   105  
   59    60    63   102    61    62    64  
   60    63    65    66    70   102    61    62    64  
   63    65    61  
   62    64    67    68    69    73   105   106   107   103    63    65    66    70    89    90    91    96    98    99   102  
   64    67    73   105    65    90    98   102  
   65    66    70    71    72    74    90    64    67  
   67    68    69    73   105   100    92    65    66    70    71    72    74    86    89    90    91    96    97    98   102  
   66    70    71    72    74    75    76    89    90    91    96   102    67    68    69    73  
   70    71    72    74    90    67  
   68    69    73   105    70    89    90    91    96    98   102  
   69    73    90   102  
   73    90   102  
   71    72    74    75    76    77    86    89    90    92    78  
   72    74    75    76    89  
   74    75    76    89  
  105   106   107   103    90    96    98    99   102  
   75    76    77    82    86    87    88    89    90    91    96    92    93    94    95    84    78    79    80    81  
   76    77    86    89    90    92    78  
   77    82    83    86    89    90    92    84    85    78    79    80    81  
   82    83    86    87    88    89    84    85    78    79    80    81  
   79    80    81    82    84    89  
   80    81  
   81  
    0  
   83    86    87    88    89    90    92    84    85  
   86    87    88    89    84  
   85    86  
    0  
   87    88    89    90    91    96    92    93    94    95  
   88    89    90    92  
   89    90    92  
   90    91    96    97    98   100    92    93    94    95  
   91    96    97    98    99   102   103   100   101    92    93    94    95  
   96    97    98   100    92  
   93    94    95    96  
   94    95  
   95  
    0  
   97    98    99   102   105   103   104   100   101  
   98    99   102   103   100   101  
   99   102   105   106   107   103   104   100   101  
  102   105   103   104   100  
  101   102   103  
    0  
  105   106   107   108   103   104  
  104   105  
    0  
  106   107   108   109   110   111  
  107   108  
  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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  101   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  102   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
  103   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  104   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  105   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  107   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  108   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  110   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  111   2.4200   0.0150   0.030000   1.3810   1.2100   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    41   268.000  1.529
   33    44   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.522
   46    47   570.000  1.229
   46    56   214.000  1.327
   56    57   320.000  1.410
   57    58   340.000  1.090
   57    59   317.000  1.522
   57    61   268.000  1.529
   59    60   570.000  1.229
   59    63   214.000  1.327
   63    65   320.000  1.410
   65    66   340.000  1.090
   65    70   268.000  1.529
   65    64   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   317.000  1.510
   74    89   268.000  1.529
   76    77   549.000  1.340
   76    78   317.000  1.510
   77    82   320.000  1.462
   77    84   510.000  1.338
   82    83   570.000  1.229
   82    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   268.000  1.529
   89    92   268.000  1.529
   90    91   340.000  1.090
   90    96   268.000  1.529
   90    64   268.000  1.529
   96    97   340.000  1.090
   96    98   268.000  1.529
   96   100   320.000  1.410
   98    99   340.000  1.090
   98   102   268.000  1.529
   98   103   320.000  1.410
  102    61   268.000  1.529
  102    73   320.000  1.410
  102   105   317.000  1.522
   61    62   340.000  1.090
   61    64   268.000  1.529
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   320.000  1.410
  105   106   570.000  1.229
  105   107   214.000  1.327
  107   108   320.000  1.410
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
  103   104   553.000  0.945
  100   101   553.000  0.945
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   84    85   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    52   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    41    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    63.00000  111.10000
   33    44    45    37.50000  110.70000
   33    44    48    58.35000  112.70000
   33    44    52    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    46    47    80.00000  120.40000
   41    46    56    81.00000  111.40000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    56    57    83.00000  116.90000
   56    46    47    83.00000  123.40000
   56    57    58    35.00000  109.50000
   56    57    59    90.00000  108.74100
   56    57    61    50.00000  109.50000
   57    59    60    80.00000  120.40000
   57    59    63    81.00000  111.40000
   57    61   102    58.35000  112.70000
   57    61    62    37.50000  110.70000
   57    61    64    58.35000  112.70000
   59    57    58    35.00000  109.50000
   59    63    65    83.00000  116.90000
   63    59    60    83.00000  123.40000
   63    65    66    35.00000  109.50000
   63    65    70    50.00000  109.50000
   63    65    64    50.00000  109.50000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    74    58.35000  112.70000
   65    64    90    58.35000  112.70000
   65    64    61    58.35000  112.70000
   65    64    67    58.35000  112.70000
   70    65    66    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    76    70.00000  112.02700
   70    74    89    58.35000  112.70000
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   74    76    77    70.00000  124.00000
   74    76    78    65.00000  117.92700
   74    89    86    58.35000  112.70000
   74    89    90    58.35000  112.70000
   74    89    92    58.35000  112.70000
   76    74    75    35.00000  109.50000
   76    77    82    65.00000  118.96000
   76    77    84    80.00000  121.38400
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    81    35.00000  109.50000
   77    82    83    80.00000  123.72100
   77    82    86    65.00000  118.62400
   77    84    85    70.00000  107.45700
   82    86    87    35.00000  109.50000
   82    86    88    35.00000  109.50000
   82    86    89    63.00000  111.10000
   86    82    83    80.00000  120.40000
   86    89    90    58.35000  112.70000
   86    89    92    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    74    75    37.50000  110.70000
   89    74    76    70.00000  112.02700
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   89    90    91    37.50000  110.70000
   89    90    96    58.35000  112.70000
   89    90    64    58.35000  112.70000
   89    92    93    37.50000  110.70000
   89    92    94    37.50000  110.70000
   89    92    95    37.50000  110.70000
   90    96    97    37.50000  110.70000
   90    96    98    58.35000  112.70000
   90    96   100    50.00000  109.50000
   90    64    61    58.35000  112.70000
   90    64    67    58.35000  112.70000
   96    90    91    37.50000  110.70000
   96    98    99    37.50000  110.70000
   96    98   102    58.35000  112.70000
   96    98   103    50.00000  109.50000
   96   100   101    55.00000  108.50000
   98    96    97    37.50000  110.70000
   98   102    61    58.35000  112.70000
   98   102    73    50.00000  109.50000
   98   102   105    63.00000  111.10000
   98   103   104    55.00000  108.50000
  102    98    99    37.50000  110.70000
  102    61    62    37.50000  110.70000
  102    61    64    58.35000  112.70000
  102    73    67    60.00000  109.50000
  102   105   106    80.00000  120.40000
  102   105   107    81.00000  111.40000
   61    57    58    37.50000  110.70000
   61    57    59    63.00000  111.10000
   61    64    67    58.35000  112.70000
   64    65    66    37.50000  110.70000
   64    65    70    58.35000  112.70000
   64    90    91    37.50000  110.70000
   64    90    96    58.35000  112.70000
   64    61    62    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    73    50.00000  109.50000
   69    67    68    33.00000  107.80000
   73   102    61    50.00000  109.50000
   73    67    68    35.00000  109.50000
   73    67    69    35.00000  109.50000
  105   102    61    63.00000  111.10000
  105   102    73    90.00000  108.74100
  105   107   108    83.00000  116.90000
  107   105   106    83.00000  123.40000
  107   108   109    35.00000  109.50000
  107   108   110    35.00000  109.50000
  107   108   111    35.00000  109.50000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
  103    98    99    35.00000  109.50000
  103    98   102    50.00000  109.50000
  100    96    97    35.00000  109.50000
  100    96    98    50.00000  109.50000
   92    89    90    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   84    77    82    85.00000  116.28000
   78    76    77    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   44    33    37    58.35000  112.70000
   44    33    41    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    51    37.50000  110.70000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    55    37.50000  110.70000
   48    44    45    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    44    45    37.50000  110.70000
   52    44    48    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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
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   96    98  -102    61  -0.07550 -1.0 2.0
   96    98  -102    61   0.20000  1.0 3.0
   96    98   102    73   0.62750  1.0 1.0
   96    98   102    73  -0.30950 -1.0 2.0
   96    98   102    73   0.27300  1.0 3.0
   96    98   102   105  -0.95700  1.0 1.0
   96    98   102   105  -0.18200 -1.0 2.0
   96    98   102   105   0.29450  1.0 3.0
   96    98   103   104  -0.11600  1.0 1.0
   96    98   103   104  -0.09450 -1.0 2.0
   96    98   103   104   0.21250  1.0 3.0
   97    96    98    99   0.15000  1.0 3.0
   97    96    98   102   0.15000  1.0 3.0
   97    96    98   103   0.23400  1.0 3.0
   97    96   100   101   0.19450  1.0 3.0
   98    96   100   101  -0.11600  1.0 1.0
   98    96   100   101  -0.09450 -1.0 2.0
   98    96   100   101   0.21250  1.0 3.0
   98   102    61    57   0.56750  1.0 1.0
   98   102    61    57  -0.07550 -1.0 2.0
   98   102    61    57   0.20000  1.0 3.0
   98   102    61    62   0.15000  1.0 3.0
   98   102    61    64   0.56750  1.0 1.0
   98   102    61    64  -0.07550 -1.0 2.0
   98   102    61    64   0.20000  1.0 3.0
   98   102    73    67   0.06250  1.0 1.0
   98   102    73    67  -0.01100 -1.0 2.0
   98   102    73    67   0.28050  1.0 3.0
   98   102   105   106   0.30150 -1.0 2.0
   98   102   105   107   0.36750  1.0 3.0
   99    98   102    61   0.15000  1.0 3.0
   99    98   102    73   0.23400  1.0 3.0
   99    98   102   105  -0.11250  1.0 3.0
   99    98   103   104   0.19450  1.0 3.0
  102    98   103   104  -0.11600  1.0 1.0
  102    98   103   104  -0.09450 -1.0 2.0
  102    98   103   104   0.21250  1.0 3.0
  102    61    64    65   0.56750  1.0 1.0
  102    61    64    65  -0.07550 -1.0 2.0
  102    61    64    65   0.20000  1.0 3.0
  102    61   -64    90   0.56750  1.0 1.0
  102    61   -64    90  -0.07550 -1.0 2.0
  102    61   -64    90   0.20000  1.0 3.0
  102    61   -64    67   0.56750  1.0 1.0
  102    61   -64    67  -0.07550 -1.0 2.0
  102    61   -64    67   0.20000  1.0 3.0
  102   105   107   108   1.63150  1.0 1.0
  102   105   107   108   2.92000 -1.0 2.0
   61    57    59    60   0.30150 -1.0 2.0
   61    57   -59    63   0.36750  1.0 3.0
   61   102   -73    67   0.06250  1.0 1.0
   61   102   -73    67  -0.01100 -1.0 2.0
   61   102   -73    67   0.28050  1.0 3.0
   61   102   105   106   0.30150 -1.0 2.0
   61   102   105   107   0.36750  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64   -67    73   0.62750  1.0 1.0
   61    64   -67    73  -0.30950 -1.0 2.0
   61    64   -67    73   0.27300  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    90   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   64    65    70    71   0.15000  1.0 3.0
   64    65    70    72   0.15000  1.0 3.0
   64    65   -70    74   0.56750  1.0 1.0
   64    65   -70    74  -0.07550 -1.0 2.0
   64    65   -70    74   0.20000  1.0 3.0
   64    90    96    97   0.15000  1.0 3.0
   64    90   -96    98   0.56750  1.0 1.0
   64    90   -96    98  -0.07550 -1.0 2.0
   64    90   -96    98   0.20000  1.0 3.0
   64    90    96   100   0.86500  1.0 1.0
   64    90    96   100  -0.17500 -1.0 2.0
   64    90    96   100   0.20800  1.0 3.0
   64    67   -73   102   0.06250  1.0 1.0
   64    67   -73   102  -0.01100 -1.0 2.0
   64    67   -73   102   0.28050  1.0 3.0
   68    67    73   102   0.37050  1.0 3.0
   69    67    73   102   0.37050  1.0 3.0
   73   102    61    57   0.62750  1.0 1.0
   73   102    61    57  -0.30950 -1.0 2.0
   73   102    61    57   0.27300  1.0 3.0
   73   102    61    62   0.23400  1.0 3.0
   73   102   -61    64   0.62750  1.0 1.0
   73   102   -61    64  -0.30950 -1.0 2.0
   73   102   -61    64   0.27300  1.0 3.0
   73   102   105   106   0.30150 -1.0 2.0
   73   102   105   107   0.40000  1.0 3.0
  105   102    61    57  -0.95700  1.0 1.0
  105   102    61    57  -0.18200 -1.0 2.0
  105   102    61    57   0.29450  1.0 3.0
  105   102    61    62  -0.11250  1.0 3.0
  105   102    61    64  -0.95700  1.0 1.0
  105   102    61    64  -0.18200 -1.0 2.0
  105   102    61    64   0.29450  1.0 3.0
  105   102    73    67  -1.11000  1.0 1.0
  105   102    73    67   0.50250 -1.0 2.0
  105   102    73    67   0.47450  1.0 3.0
  105   107   108   109   0.08050  1.0 3.0
  105   107   108   110   0.08050  1.0 3.0
  105   107   108   111   0.08050  1.0 3.0
  106   105   107   108   3.00000 -1.0 2.0
  103    98   102    61   0.86500  1.0 1.0
  103    98   102    61  -0.17500 -1.0 2.0
  103    98   102    61   0.20800  1.0 3.0
  103    98   102    73   3.69350  1.0 1.0
  103    98   102    73  -1.82950 -1.0 2.0
  103    98   102   105  -0.09450  1.0 1.0
  103    98   102   105  -1.12950 -1.0 2.0
  103    98   102   105   0.54000  1.0 3.0
  100    96    98    99   0.23400  1.0 3.0
  100    96    98   102   0.86500  1.0 1.0
  100    96    98   102  -0.17500 -1.0 2.0
  100    96    98   102   0.20800  1.0 3.0
  100    96    98   103   3.75450  1.0 1.0
   92    89    90    91   0.15000  1.0 3.0
   92    89    90    96   0.56750  1.0 1.0
   92    89    90    96  -0.07550 -1.0 2.0
   92    89    90    96   0.20000  1.0 3.0
   92    89    90    64   0.56750  1.0 1.0
   92    89    90    64  -0.07550 -1.0 2.0
   92    89    90    64   0.20000  1.0 3.0
   84    77    82    83  -0.11900  1.0 1.0
   84    77    82    83   0.76850 -1.0 2.0
   84    77    82    83   0.14100  1.0 3.0
   84    77    82    86   0.32450 -1.0 2.0
   84    77    82    86   0.17400  1.0 3.0
   78    76    77    82   7.00000 -1.0 2.0
   78    76    77    84   7.00000 -1.0 2.0
   44    33    37    38   0.15000  1.0 3.0
   44    33    37    39   0.15000  1.0 3.0
   44    33    37    40   0.15000  1.0 3.0
   44    33    41    42   0.15000  1.0 3.0
   44    33    41    43   0.15000  1.0 3.0
   44    33    41    46  -0.95700  1.0 1.0
   44    33    41    46  -0.18200 -1.0 2.0
   44    33    41    46   0.29450  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    54   0.15000  1.0 3.0
   45    44    52    55   0.15000  1.0 3.0
   48    44    52    53   0.15000  1.0 3.0
   48    44    52    54   0.15000  1.0 3.0
   48    44    52    55   0.15000  1.0 3.0
   52    44    48    49   0.15000  1.0 3.0
   52    44    48    50   0.15000  1.0 3.0
   52    44    48    51   0.15000  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
   41    56    46    47  10.50000 -1.0 2.0
   57    63    59    60  10.50000 -1.0 2.0
   74    78    76    77   1.10000 -1.0 2.0
   82    84    77    76   1.10000 -1.0 2.0
   77    86    82    83  10.50000 -1.0 2.0
  102   107   105   106  10.50000 -1.0 2.0
END
