* LIGAND DATABASE FILE (OPLS2005)
*
001     106   112    220    380     673
    1     0 S   NP   _N1_     1    29.06004    94.16236   -26.23795
    2     1 S   H    _HN1     2     1.02783   119.72537   -88.00501
    3     1 S   H    _H1_     3     1.02951    80.78495    17.94300
    4     1 S   H    _H2_     4     1.02829    26.38975  -157.21287
    5     1 S   CT   _CA1     5     1.50110   119.70781   126.24735
    6     5 S   HC   _HA1     6     1.09572   105.20934    86.76560
    7     5 S   CO3  _C1_     7     1.53793   112.43364   -33.48922
    8     7 S   O2Z  _O11     8     1.26372   115.00697   -43.09276
    9     7 S   O2Z  _O12     9     1.26238   114.94415   136.05215
   10     5 S   CT   _CB1    10     1.53081   107.42389  -155.24861
   11    10 S   HC   HB11    11     1.09831   109.39706   -49.77826
   12    10 S   HC   HB12    12     1.09814   110.43465    66.83134
   13    10 S   CT   _CG1    13     1.52986   112.59823  -170.76537
   14    13 S   HC   HG11    14     1.09586   110.59952   -64.87447
   15    13 S   HC   HG12    15     1.09667   109.82579    54.35886
   16    13 S   C    _CD1    16     1.51797   112.25539   174.81715
   17    16 S   O    _OE1    17     1.22729   123.29957     5.23577
   18    16 S   N    _N2_    18     1.38651   111.64670  -174.90369
   19    18 S   H    _HN2    19     1.01585   118.94580     1.84748
   20    18 S   CT1  _CA2    20     1.46190   123.37826   178.11820
   21    20 S   HC   _HA2    21     1.09736   109.37199     0.62714
   22    20 S   C    _C2_    22     1.53504   108.62002  -114.88162
   23    22 S   O    _O2_    23     1.23055   122.27504  -148.08472
   24    20 S   CT   _CB2    32     1.53329   111.54433   122.61683
   25    24 S   HC   HB21    33     1.09502   109.98630    56.72866
   26    24 S   HC   HB22    34     1.09522   110.18136   175.68589
   27    22 S   N    _N3_    24     1.38329   113.67243    39.37168
   28    27 S   H    _HN3    25     1.01598   119.56820    -3.42108
   29    24 S   S    _SG2    35     1.82772   111.46241   -64.67931
   30    27 S   CT   _CA3    26     1.45287   123.18941   177.06895
   31    30 S   HC   HA31    27     1.09550   107.51555   -64.32564
   32    30 S   HC   HA32    28     1.09557   107.97235    52.10288
   33    29 S   CT   _C26    36     1.83172    99.59111   179.33471
   34    33 S   HC   _H3_    37     1.09602   106.31269    44.78434
   35    30 S   CO3  _C3_    29     1.52953   114.09827   174.09548
   36    35 S   O2Z  _O31    30     1.26373   116.06622    -0.70443
   37    35 S   O2Z  _O32    31     1.26429   114.41177   179.35563
   38    33 S   CT   _C11    38     1.52838   112.68444   -75.33789
   39    38 S   HC   _H42    39     1.09533   110.62290   149.74244
   40    38 S   HC   _H43    40     1.09227   114.47047    25.37195
   41    38 S   CO4  _C7_    41     1.50972   103.59637   -95.24424
   42    41 S   O    _O34    42     1.22712   122.06402   164.85017
   43    41 S   CT   _C28    43     1.53922   113.32281   -13.12809
   44    33 S   CT   _C19    44     1.54830   116.02805   166.57122
   45    44 S   HC   _H55    45     1.10008   101.91506  -162.86962
   46    43 S   CT   _C25    55     1.57698   115.44030  -132.18279
   47    46 S   HC   _H61    56     1.09743   109.11287  -130.66587
   48    43 S   CT   _C32   103     1.54603   104.52769   109.50369
   49    48 S   HC   _H69   104     1.09270   112.46653  -166.92934
   50    48 S   HC   _H70   105     1.09757   110.29228    73.55465
   51    48 S   HC   _H71   106     1.09240   113.16520   -44.25624
   52    44 S   CT   _C22    46     1.53616   117.86661   -46.93058
   53    52 S   HC   _H58    47     1.09637   110.30087    60.03520
   54    46 S   OH   _O38    57     1.42823   108.13679   -15.41099
   55    54 S   HO   _H72    58     0.97351   108.19213   -53.65618
   56    52 S   CT   _C15    48     1.53784   111.41679   178.63441
   57    56 S   HC   _H50    49     1.09918   109.00589   166.00261
   58    56 S   HC   _H51    50     1.09611   110.57858   -81.03615
   59    52 S   CT   _C31    99     1.53606   111.19756   -58.24797
   60    59 S   HC   _H66   100     1.09478   111.64258   -57.62950
   61    59 S   HC   _H67   101     1.09539   110.76630  -177.93086
   62    59 S   HC   _H68   102     1.09399   111.44793    63.01835
   63    56 S   CT   _C24    51     1.52994   115.07711    43.18294
   64    63 S   HC   _H60    52     1.09609   108.70208    53.51039
   65    63 S   CT   _C20    53     1.54346   119.02025   -72.60186
   66    65 S   HC   _H56    54     1.09717   106.73692   111.79751
   67    65 S   CT   _C29    59     1.57332   103.93512  -135.07664
   68    67 S   CO4  _C8_    60     1.52526   102.64426    14.40732
   69    68 S   O    _O35    61     1.22289   126.41813   170.66154
   70    67 S   CT   _C13    63     1.56576   120.30499   133.29235
   71    70 S   HC   _H46    64     1.08815   116.08489     2.72735
   72    70 S   HC   _H47    65     1.09708   111.71428  -117.97967
   73    63 S   OS   _O37    62     1.42880   105.94262   166.81234
   74    70 S   CT   _C17    66     1.55169   104.18639   125.10040
   75    74 S   HC   _H53    67     1.09255   112.60379   160.88528
   76    74 S   CT   _C10    68     1.54013   108.83562   -72.95588
   77    76 S   HC   _H40    69     1.09020   112.96930   -46.70443
   78    76 S   HC   _H41    70     1.09172   112.79992  -172.21260
   79    76 S   CO4  _C6_    71     1.51168    98.59787    71.67397
   80    79 S   O    _O33    72     1.22208   124.34554  -178.10091
   81    67 S   CT   _C27    73     1.58902   113.87851  -106.06862
   82    81 S   CT   _C12    74     1.53211   116.84271    65.29510
   83    82 S   HC   _H44    75     1.09451   109.34783   -23.24583
   84    82 S   HC   _H45    76     1.09774   110.79899  -137.00945
   85    74 S   CT   _C18    90     1.54344   102.14599    36.67601
   86    85 S   HC   _H54    91     1.09534   109.76302    57.94185
   87    82 S   CT   _C16    77     1.53732   113.80339    99.26025
   88    87 S   HC   _H52    78     1.09436   110.29640   -46.50870
   89    87 S   CM   _C4_    79     1.49036   111.68688  -168.73668
   90    89 S   CO4  _C5_    80     1.47234   109.59362  -102.43742
   91    90 S   O    _O30    81     1.21723   127.11366   170.79248
   92    89 S   CM   _C9_    96     1.33579   128.00180    79.42125
   93    92 S   HC   _H38    97     1.08519   120.71697    -1.02316
   94    92 S   HC   _H39    98     1.08506   121.74601   178.96751
   95    90 S   OS   _O36    82     1.36054   106.88681    -8.32308
   96    87 S   CT   _C23    83     1.52786   114.71035    77.87284
   97    96 S   HC   _H59    84     1.09765   110.23092  -148.95917
   98    96 S   CT   _C14    85     1.52757   116.88519   -23.18011
   99    98 S   HC   _H48    86     1.09923   108.23289   175.70021
  100    98 S   HC   _H49    87     1.09772   109.60017    63.84460
  101    98 S   CT   _C21    88     1.53349   116.57509   -60.80590
  102   101 S   HC   _H57    89     1.09521   105.78110   170.44037
  103   101 S   CT   _C30    92     1.53643   110.53467   -76.29970
  104   103 S   HC   _H63    93     1.09492   111.61655    64.55369
  105   103 S   HC   _H64    94     1.09527   110.82715   -55.77541
  106   103 S   HC   _H65    95     1.09514   110.77984  -175.08096
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  10   5   4  13   4  18  19   6  18   7   6
   2   1   1  12   8   5   1  13   6   5   4   2   1   1   9   5
  13   5  19  10   3  14   6   5   1  14   8   9   5   4   9   3
  13  14   6   5  12   4  14   7   9   8   3   4   1   1   6   7
   4   8   4   3   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    52    53    56    46    59    48  
   38    39    40    41    43    44    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    52    46    48  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    52    65    46    47    54    48    49    50    51  
   43    44    46    48  
   44    45    52    53    56    63    65    66    46    47    54    55    67    59    48    49    50    51  
   45    52    53    56    57    58    63    65    46    47    54    59    60    61    62    48    49    50    51  
   52    53    56    46    59    48  
   47    54    55    67    68    73    70    81    48    49    50    51    52    56    63    64    65    66  
   54    55    67    48    63    65    66  
   49    50    51    52    54    65  
   50    51  
   51  
    0  
   53    56    57    58    63    64    65    73    59    60    61    62  
   56    57    58    63    59    60    61    62  
   55    67    63    65    66  
   65  
   57    58    63    64    65    66    67    68    73    59    60    61    62  
   58    63    64    65    73    59  
   63    64    65    73    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    68    69    73    70    81  
   65    66    67    68    73  
   66    67    68    69    73    70    71    72    74    79    81    82    85  
   67    68    73    70    81  
   68    69    73    70    71    72    74    75    76    79    80    81    82    83    84    87   101    85    86  
   69    73    70    71    72    74    79    81    82    85  
   73    70    81  
   71    72    74    75    76    77    78    79    81    82   101    85    86    73  
   72    74    75    76    81    85  
   74    75    76    81    85  
   81  
   75    76    77    78    79    80    81    82    98   101   102    85    86   103  
   76    77    78    79    81   101    85    86  
   77    78    79    80    81    82   101    85    86  
   78    79    80    81    85  
   79    80    81    85  
   80    81    82    83    84    87   101    85    86  
   81    82    85  
   82    83    84    87    88    89    96    98   101   102    85    86   103  
   83    84    87    88    89    90    95    96    97    98   101    85    86    92  
   84    87    88    89    96    85  
   87    88    89    96    85  
   86   103   104   105   106    87    96    98    99   100   101   102  
  103    98   101   102  
   88    89    90    91    95    96    97    98    99   100   101    92    93    94  
   89    90    95    96    97    98    92  
   90    91    95    96    97    98    92    93    94  
   91    95    96    97    98    92    93    94  
   95    96    92  
   93    94    95    96  
   94  
    0  
   96    97    98    99   100   101  
   97    98    99   100   101   102   103  
   98    99   100   101  
   99   100   101   102   103   104   105   106  
  100   101   102   103  
  101   102   103  
  102   103   104   105   106  
  103   104   105   106  
  104   105   106  
  105   106  
  106  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   93   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   96   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   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   268.000  1.529
   33    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    73   320.000  1.410
   65    66   340.000  1.090
   65    46   268.000  1.529
   65    67   268.000  1.529
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    55   553.000  0.945
   67    68   317.000  1.522
   67    70   268.000  1.529
   67    81   268.000  1.529
   68    69   570.000  1.229
   68    73   214.000  1.327
   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   268.000  1.529
   74    85   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   317.000  1.522
   79    80   570.000  1.229
   79    81   317.000  1.522
   81    82   268.000  1.529
   81    85   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    87   268.000  1.529
   87    88   340.000  1.090
   87    89   317.000  1.510
   87    96   268.000  1.529
   89    90   320.000  1.462
   89    92   549.000  1.340
   90    91   570.000  1.229
   90    95   214.000  1.327
   95    96   320.000  1.410
   96    97   340.000  1.090
   96    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101    85   268.000  1.529
  101   103   268.000  1.529
   85    86   340.000  1.090
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   92    93   340.000  1.080
   92    94   340.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    52    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    46    65    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    54    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    52    53    37.50000  110.70000
   44    52    56    58.35000  112.70000
   44    52    59    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    63    58.35000  112.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   56    52    53    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    58.35000  112.70000
   56    63    73    50.00000  109.50000
   58    56    57    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    58    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    46    58.35000  112.70000
   63    65    67    58.35000  112.70000
   63    73    68    83.00000  116.90000
   65    63    64    37.50000  110.70000
   65    46    47    37.50000  110.70000
   65    46    54    50.00000  109.50000
   65    67    68    63.00000  111.10000
   65    67    70    58.35000  112.70000
   65    67    81    58.35000  112.70000
   46    43    44    58.35000  112.70000
   46    65    66    37.50000  110.70000
   46    54    55    55.00000  108.50000
   54    46    47    35.00000  109.50000
   67    65    66    37.50000  110.70000
   67    65    46    58.35000  112.70000
   67    68    69    80.00000  120.40000
   67    68    73    81.00000  111.40000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    74    58.35000  112.70000
   67    81    79    63.00000  111.10000
   67    81    82    58.35000  112.70000
   67    81    85    58.35000  112.70000
   73    63    64    35.00000  109.50000
   73    63    65    50.00000  109.50000
   73    68    69    83.00000  123.40000
   70    67    68    63.00000  111.10000
   70    74    75    37.50000  110.70000
   70    74    76    58.35000  112.70000
   70    74    85    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    37.50000  110.70000
   74    76    78    37.50000  110.70000
   74    76    79    63.00000  111.10000
   74    85    81    58.35000  112.70000
   74    85   101    58.35000  112.70000
   74    85    86    37.50000  110.70000
   76    74    75    37.50000  110.70000
   76    79    80    80.00000  120.40000
   76    79    81    70.00000  116.00000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    81    82    63.00000  111.10000
   79    81    85    63.00000  111.10000
   81    67    68    63.00000  111.10000
   81    67    70    58.35000  112.70000
   81    79    80    80.00000  120.40000
   81    82    83    37.50000  110.70000
   81    82    84    37.50000  110.70000
   81    82    87    58.35000  112.70000
   81    85   101    58.35000  112.70000
   81    85    86    37.50000  110.70000
   82    87    88    37.50000  110.70000
   82    87    89    70.00000  112.02700
   82    87    96    58.35000  112.70000
   84    82    83    33.00000  107.80000
   87    82    83    37.50000  110.70000
   87    82    84    37.50000  110.70000
   87    89    90    65.00000  116.34900
   87    89    92    70.00000  124.00000
   87    96    95    50.00000  109.50000
   87    96    97    37.50000  110.70000
   87    96    98    58.35000  112.70000
   89    87    88    35.00000  109.50000
   89    90    91    80.00000  123.72100
   89    90    95    90.00000  111.29400
   89    92    93    35.00000  120.00000
   89    92    94    35.00000  120.00000
   90    95    96    83.00000  116.90000
   95    90    91    83.00000  123.40000
   95    96    97    35.00000  109.50000
   95    96    98    50.00000  109.50000
   96    87    88    37.50000  110.70000
   96    87    89    70.00000  112.02700
   96    98    99    37.50000  110.70000
   96    98   100    37.50000  110.70000
   96    98   101    58.35000  112.70000
   98    96    97    37.50000  110.70000
   98   101   102    37.50000  110.70000
   98   101    85    58.35000  112.70000
   98   101   103    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101    85    86    37.50000  110.70000
  101   103   104    37.50000  110.70000
  101   103   105    37.50000  110.70000
  101   103   106    37.50000  110.70000
   85    74    75    37.50000  110.70000
   85    74    76    58.35000  112.70000
   85    81    82    58.35000  112.70000
   85   101   102    37.50000  110.70000
  103   101   102    37.50000  110.70000
  103   101    85    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   92    89    90    65.00000  118.96000
   94    92    93    35.00000  117.00000
   59    52    53    37.50000  110.70000
   59    52    56    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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
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   76    79    81    82   0.05600 -1.0 2.0
   76    79    81    82   0.26150  1.0 3.0
   76    79   -81    85   0.60050  1.0 1.0
   76    79   -81    85   0.05600 -1.0 2.0
   76    79   -81    85   0.26150  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   78    76    79    80   0.00000  1.0 1.0
   78    76    79    81   0.00000  1.0 1.0
   79    81    82    83  -0.11250  1.0 3.0
   79    81    82    84  -0.11250  1.0 3.0
   79    81    82    87  -0.95700  1.0 1.0
   79    81    82    87  -0.18200 -1.0 2.0
   79    81    82    87   0.29450  1.0 3.0
   79    81   -85    74  -0.95700  1.0 1.0
   79    81   -85    74  -0.18200 -1.0 2.0
   79    81   -85    74   0.29450  1.0 3.0
   79    81    85   101  -0.95700  1.0 1.0
   79    81    85   101  -0.18200 -1.0 2.0
   79    81    85   101   0.29450  1.0 3.0
   79    81    85    86  -0.11250  1.0 3.0
   80    79    81    67   0.30150 -1.0 2.0
   80    79    81    82   0.30150 -1.0 2.0
   80    79    81    85   0.30150 -1.0 2.0
   81    67    68    69   0.30150 -1.0 2.0
   81    67    68    73   0.36750  1.0 3.0
   81    67    70    71   0.15000  1.0 3.0
   81    67    70    72   0.15000  1.0 3.0
   81    67   -70    74   0.56750  1.0 1.0
   81    67   -70    74  -0.07550 -1.0 2.0
   81    67   -70    74   0.20000  1.0 3.0
   81    82    87    88   0.15000  1.0 3.0
   81    82    87    89   0.34400  1.0 1.0
   81    82    87    89   0.09450 -1.0 2.0
   81    82    87    89   0.11100  1.0 3.0
   81    82    87    96   0.56750  1.0 1.0
   81    82    87    96  -0.07550 -1.0 2.0
   81    82    87    96   0.20000  1.0 3.0
   82    81    85    74   0.56750  1.0 1.0
   82    81    85    74  -0.07550 -1.0 2.0
   82    81    85    74   0.20000  1.0 3.0
   82    81    85   101   0.56750  1.0 1.0
   82    81    85   101  -0.07550 -1.0 2.0
   82    81    85   101   0.20000  1.0 3.0
   82    81    85    86   0.15000  1.0 3.0
   82    87    89    90   0.09700  1.0 1.0
   82    87    89    90   0.15600 -1.0 2.0
   82    87    89    90  -0.50800  1.0 3.0
   82    87    89    92   0.09850  1.0 1.0
   82    87    89    92   0.15250 -1.0 2.0
   82    87    89    92  -0.50650  1.0 3.0
   82    87    96    95   0.62750  1.0 1.0
   82    87    96    95  -0.30950 -1.0 2.0
   82    87    96    95   0.27300  1.0 3.0
   82    87    96    97   0.15000  1.0 3.0
   82    87    96    98   0.56750  1.0 1.0
   82    87    96    98  -0.07550 -1.0 2.0
   82    87    96    98   0.20000  1.0 3.0
   83    82    87    88   0.15000  1.0 3.0
   83    82    87    89   0.15000  1.0 3.0
   83    82    87    96   0.15000  1.0 3.0
   84    82    87    88   0.15000  1.0 3.0
   84    82    87    89   0.15000  1.0 3.0
   84    82    87    96   0.15000  1.0 3.0
   87    89    90    91  -0.64400  1.0 1.0
   87    89    90    91   0.26850 -1.0 2.0
   87    89   -90    95  -0.15000  1.0 1.0
   87    89   -90    95   0.89550 -1.0 2.0
   87    89   -90    95  -0.06900  1.0 3.0
   87    89    92    93   7.00000 -1.0 2.0
   87    89    92    94   7.00000 -1.0 2.0
   87    96    98    99   0.15000  1.0 3.0
   87    96    98   100   0.15000  1.0 3.0
   87    96    98   101   0.56750  1.0 1.0
   87    96    98   101  -0.07550 -1.0 2.0
   87    96    98   101   0.20000  1.0 3.0
   88    87    89    90   0.15000  1.0 3.0
   88    87    89    92   0.00000  1.0 1.0
   88    87    96    95   0.23400  1.0 3.0
   88    87    96    97   0.15000  1.0 3.0
   88    87    96    98   0.15000  1.0 3.0
   89    87   -96    95   0.61850  1.0 1.0
   89    87   -96    95  -0.22750 -1.0 2.0
   89    87   -96    95   0.15300  1.0 3.0
   89    87    96    97   0.15000  1.0 3.0
   89    87    96    98   0.34400  1.0 1.0
   89    87    96    98   0.09450 -1.0 2.0
   89    87    96    98   0.11100  1.0 3.0
   89    90   -95    96   2.00000 -1.0 2.0
   90    89    92    93   7.00000 -1.0 2.0
   90    89    92    94   7.00000 -1.0 2.0
   90    95   -96    87  -0.25900  1.0 1.0
   90    95   -96    87  -0.47000 -1.0 2.0
   90    95   -96    87   0.11750  1.0 3.0
   90    95    96    97   0.08050  1.0 3.0
   90    95    96    98  -0.25900  1.0 1.0
   90    95    96    98  -0.47000 -1.0 2.0
   90    95    96    98   0.11750  1.0 3.0
   91    90    95    96   3.00000 -1.0 2.0
   95    96    98    99   0.23400  1.0 3.0
   95    96    98   100   0.23400  1.0 3.0
   95    96    98   101   0.62750  1.0 1.0
   95    96    98   101  -0.30950 -1.0 2.0
   95    96    98   101   0.27300  1.0 3.0
   96    87   -89    90   0.09700  1.0 1.0
   96    87   -89    90   0.15600 -1.0 2.0
   96    87   -89    90  -0.50800  1.0 3.0
   96    87    89    92   0.09850  1.0 1.0
   96    87    89    92   0.15250 -1.0 2.0
   96    87    89    92  -0.50650  1.0 3.0
   96    98   101   102   0.15000  1.0 3.0
   96    98   101    85   0.56750  1.0 1.0
   96    98   101    85  -0.07550 -1.0 2.0
   96    98   101    85   0.20000  1.0 3.0
   96    98   101   103   0.56750  1.0 1.0
   96    98   101   103  -0.07550 -1.0 2.0
   96    98   101   103   0.20000  1.0 3.0
   97    96    98    99   0.15000  1.0 3.0
   97    96    98   100   0.15000  1.0 3.0
   97    96    98   101   0.15000  1.0 3.0
   98   101    85    74   0.56750  1.0 1.0
   98   101    85    74  -0.07550 -1.0 2.0
   98   101    85    74   0.20000  1.0 3.0
   98   101    85    81   0.56750  1.0 1.0
   98   101    85    81  -0.07550 -1.0 2.0
   98   101    85    81   0.20000  1.0 3.0
   98   101    85    86   0.15000  1.0 3.0
   98   101   103   104   0.15000  1.0 3.0
   98   101   103   105   0.15000  1.0 3.0
   98   101   103   106   0.15000  1.0 3.0
   99    98   101   102   0.15000  1.0 3.0
   99    98   101    85   0.15000  1.0 3.0
   99    98   101   103   0.15000  1.0 3.0
  100    98   101   102   0.15000  1.0 3.0
  100    98   101    85   0.15000  1.0 3.0
  100    98   101   103   0.15000  1.0 3.0
  102   101    85    74   0.15000  1.0 3.0
  102   101    85    81   0.15000  1.0 3.0
  102   101    85    86   0.15000  1.0 3.0
  102   101   103   104   0.15000  1.0 3.0
  102   101   103   105   0.15000  1.0 3.0
  102   101   103   106   0.15000  1.0 3.0
   85    74    76    77   0.15000  1.0 3.0
   85    74    76    78   0.15000  1.0 3.0
   85    74   -76    79  -0.95700  1.0 1.0
   85    74   -76    79  -0.18200 -1.0 2.0
   85    74   -76    79   0.29450  1.0 3.0
   85    81    82    83   0.15000  1.0 3.0
   85    81    82    84   0.15000  1.0 3.0
   85    81    82    87   0.56750  1.0 1.0
   85    81    82    87  -0.07550 -1.0 2.0
   85    81    82    87   0.20000  1.0 3.0
   85   101   103   104   0.15000  1.0 3.0
   85   101   103   105   0.15000  1.0 3.0
   85   101   103   106   0.15000  1.0 3.0
  103   101    85    74   0.56750  1.0 1.0
  103   101    85    74  -0.07550 -1.0 2.0
  103   101    85    74   0.20000  1.0 3.0
  103   101    85    81   0.56750  1.0 1.0
  103   101    85    81  -0.07550 -1.0 2.0
  103   101    85    81   0.20000  1.0 3.0
  103   101    85    86   0.15000  1.0 3.0
   92    89    90    91   1.00000 -1.0 2.0
   92    89    90    95  -0.56150  1.0 1.0
   92    89    90    95   2.19150 -1.0 2.0
   59    52    56    57   0.15000  1.0 3.0
   59    52    56    58   0.15000  1.0 3.0
   59    52    56    63   0.56750  1.0 1.0
   59    52    56    63  -0.07550 -1.0 2.0
   59    52    56    63   0.20000  1.0 3.0
   48    43    44    33   0.56750  1.0 1.0
   48    43    44    33  -0.07550 -1.0 2.0
   48    43    44    33   0.20000  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.56750  1.0 1.0
   48    43    44    52  -0.07550 -1.0 2.0
   48    43    44    52   0.20000  1.0 3.0
   48    43    46    65   0.56750  1.0 1.0
   48    43    46    65  -0.07550 -1.0 2.0
   48    43    46    65   0.20000  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    54   0.86500  1.0 1.0
   48    43    46    54  -0.17500 -1.0 2.0
   48    43    46    54   0.20800  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   67    73    68    69  10.50000 -1.0 2.0
   76    81    79    80  10.50000 -1.0 2.0
   87    90    89    92   1.10000 -1.0 2.0
   89    95    90    91  10.50000 -1.0 2.0
   93    94    92    89   1.10000 -1.0 2.0
END
