* LIGAND DATABASE FILE (OPLS2005)
*
001     115   120    221    364     669
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02125    81.84333   -81.32292
    3     1 S   H    _H1_     3     1.02040    97.45346    26.60444
    4     1 S   H    _H2_     4     1.02116    35.12460   138.66573
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.85057    97.29915  -158.13814
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C17    37     1.51060   108.08076   -39.99621
   38    37 S   HC   _H22    38     1.08037   118.83377    86.63268
   39    33 S   CM   _C19    52     1.53512   109.76988  -164.49252
   40    33 S   CO4  _C27    62     1.54274   105.26579    76.39849
   41    40 S   O    _O36    63     1.22709   124.48462   -99.21889
   42    37 S   CM   _C16    39     1.34042   123.44556   -94.86983
   43    42 S   HC   _H21    40     1.07614   119.27963  -178.45187
   44    39 S   CM   _C20    53     1.36046   119.40196   -87.55348
   45    42 S   CT   _C15    41     1.50552   121.82432     1.57209
   46    44 S   CA   _C21    54     1.47389   121.62773     1.69662
   47    44 S   OH   _O41    86     1.37856   124.92751  -172.76101
   48    47 S   HO   _H33    87     0.96289   109.89734   174.77685
   49    45 S   CT   _C14    42     1.55061   108.16492    92.23787
   50    49 S   HC   _H19    43     1.09556   109.12728   -46.67426
   51    49 S   HC   _H20    44     1.09568   108.74967    65.38500
   52    46 S   CA   _C22    55     1.40298   122.12692   163.04855
   53    52 S   HA   _H23    56     1.08679   121.21634    -3.82393
   54    45 S   OH   _O42   114     1.43818   107.70330  -151.76607
   55    54 S   HO   _H34   115     0.96681   105.87206   -60.00313
   56    49 S   CT   _C13    45     1.53687   114.30296  -171.24128
   57    52 S   CA   _C23    57     1.39695   120.77996   176.04705
   58    57 S   HA   _H24    58     1.08763   119.31553   179.82754
   59    56 S   CT   _C12    46     1.52458   110.55935    52.26148
   60    59 S   HC   _H17    47     1.08787   110.64869  -174.94898
   61    59 S   HC   _H18    48     1.08417   112.05011    63.68135
   62    57 S   CA   _C24    59     1.39313   120.26219    -0.43386
   63    56 S   CT   _C34   108     1.53085   110.47668   174.31411
   64    63 S   HC   _H35   109     1.08739   109.51131    57.64326
   65    63 S   HC   _H36   110     1.08616   109.52600   -62.32929
   66    63 S   HC   _H37   111     1.08621   109.55500   177.63744
   67    56 S   OH   _O43   112     1.42963   110.02240   -67.29752
   68    67 S   HO   _H38   113     0.96696   105.97603  -179.11067
   69    59 S   CO4  _C11    49     1.51042   109.47371   -56.04523
   70    69 S   O    _O35    50     1.23157   120.42182  -121.89741
   71    62 S   CA   _C25    60     1.39256   119.85882     0.42336
   72    62 S   CT   _C28    66     1.51278   119.07921  -179.87333
   73    72 S   HC   _H6_    67     1.10853   107.19060   149.96439
   74    45 S   CT   _C10    51     1.56084   110.79922   -34.44830
   75    46 S   CA   _C26    61     1.39880   119.76268   -20.82380
   76    71 S   OH   _O37    64     1.36333   118.35957   178.53500
   77    76 S   HO   _H25    65     0.96895   110.05589  -178.33352
   78    72 S   CT   _C29    68     1.52938   111.44343   -89.01141
   79    78 S   HC   _H26    69     1.09741   111.19790   -59.93976
   80    78 S   HC   _H27    70     1.09955   110.31707    57.09014
   81    78 S   CT   _C30    71     1.52590   110.53692   177.34156
   82    81 S   HC   _H7_    72     1.09732   110.29934    70.55249
   83    74 S   OS   _O34    88     1.43895   107.85286   -79.11976
   84    81 S   CT   _C31    73     1.52995   110.81346   -51.69643
   85    84 S   HC   _H8_    74     1.09807   108.86220   -71.45104
   86    81 S   OH   _O40    84     1.42588   109.35882  -171.86643
   87    86 S   HO   _H32    85     0.96915   106.53032   -59.99117
   88    83 S   CO   _C9_    89     1.42447   111.08710    65.22112
   89    88 S   HC   _H5_    90     1.09449   107.36660    30.02399
   90    84 S   CT   _C32    75     1.53463   110.73725    50.65507
   91    90 S   HC   _H9_    76     1.09787   110.26802    66.06446
   92    84 S   OH   _O39    82     1.42533   108.15348   171.68804
   93    92 S   HO   _H31    83     0.97007   106.51579   -60.00030
   94    88 S   CT   _C8_    91     1.52714   109.67061   147.89130
   95    94 S   HC   _H15    92     1.09612   110.51645   -50.68161
   96    94 S   HC   _H16    93     1.09621   109.19121  -169.14183
   97    72 S   OS   _O38    77     1.43262   108.82916    32.52316
   98    90 S   CT   _C33    78     1.52556   112.12617  -173.95830
   99    98 S   HC   _H28    79     1.08886   109.90770    58.54850
  100    98 S   HC   _H29    80     1.08871   109.90770   -61.50290
  101    98 S   HC   _H30    81     1.08986   109.84378   178.55788
  102    94 S   CT   _C7_    94     1.52836   111.32374    70.89754
  103   102 S   HC   _H13    95     1.09540   108.95659   172.71511
  104   102 S   HC   _H14    96     1.09661   109.48512   -69.85213
  105   102 S   CT   _C6_    97     1.52767   110.76240    51.03158
  106   105 S   HC   _H4_    98     1.09546   109.70741  -172.92424
  107   105 S   CT   _C5_    99     1.53381   110.66520   -51.06913
  108   107 S   HC   _H3_   100     1.09441   109.46394   -65.42841
  109   105 S   OH   _O44   106     1.42764   109.14988    69.55092
  110   109 S   HO   _H39   107     0.96990   106.39916    60.02405
  111    88 S   OS   _O33   101     1.42884   112.57411   -88.18255
  112   107 S   CT   _C4_   102     1.52517   112.31200   174.59644
  113   112 S   HC   _H10   103     1.08952   109.98660   -59.16954
  114   112 S   HC   _H11   104     1.09007   109.89975  -179.16702
  115   112 S   HC   _H12   105     1.08985   109.94659    60.89646
  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
  16   2   1   1  12   5  18  10   3  11   4  12  14  11   4   1
  17   7   6   7   4   5   1  12   9   3  12   6   5  12   6   3
   2   1   2   1   4   2   7  14   6   5   2   1   1  11   6   5
  11   6   8  12   7   3   1  12   6   8   6   3   1  10   6   5
   4   3   2   1   1  10   5   4  10   6   8   6   3   1   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    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    74    39    44    75    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    45    69    74    39    44    46    71    75    40    41    47    83  
   35    36  
   36  
    0  
   38    42    43    45    49    74    39    44    75    40    41    54  
   42    43    45    39    40  
   44    46    52    75    40    41    47    48    83    88    54    42    45    49    59    69    70    74  
   41    76    42    44    46    52    62    71    74    75  
   46    71    75  
   43    45    49    50    51    56    69    74    83    54    55  
   45    49    74    54  
   46    52    53    57    71    75    47    48    83    45    69    74  
   49    50    51    56    59    69    70    74    83    88    63    67    54    55  
   52    53    57    58    62    71    75    76    47    48    74  
   48    52    74    75  
    0  
   50    51    56    59    60    61    69    74    83    63    64    65    66    67    68    54    55  
   51    56    59    74    63    67    54  
   56    59    74    63    67    54  
   53    57    58    62    71    75    72  
   57    58    62    75  
   55    56    69    74    83  
   74  
   59    60    61    69    70    74    63    64    65    66    67    68  
   58    62    71    75    76    72    73    78    97  
   62    71    72  
   60    61    69    70    74    83    63    64    65    66    67    68  
   61    69    70    74    63    67  
   69    70    74    63    67  
   71    75    76    77    72    73    78    79    80    81    90    97  
   64    65    66    67    68    69  
   65    66    67  
   66    67  
   67  
   68    69  
    0  
   70    74    83    88  
   74    83  
   75    76    77    72    73    78    97  
   73    78    79    80    81    82    84    90    91    97    98    86    75    76  
   78    79    80    81    90    97  
   83    88    89    94   111  
   76    77  
   77  
    0  
   79    80    81    82    84    85    90    97    92    86    87  
   80    81    82    84    97    86  
   81    82    84    97    86  
   82    84    85    90    91    97    98    92    93    86    87  
   84    85    90    92    86    87  
   88    89    94    95    96   102   107   111  
   85    90    91    97    98    99   100   101    92    93    86    87  
   90    91    97    98    92    93    86  
   87    90    92  
    0  
   89    94    95    96   102   103   104   105   107   108   111   112  
   94    95    96   102   107   111  
   91    97    98    99   100   101    92    93  
   97    98    99   100   101    92  
   93    97    98  
    0  
   95    96   102   103   104   105   106   107   111   109  
   96   102   103   104   105   111  
  102   103   104   105   111  
   98    99   100   101  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107   108   111   112   109   110  
  104   105   106   107   109  
  105   106   107   109  
  106   107   108   111   112   113   114   115   109   110  
  107   108   111   112   109   110  
  108   111   112   113   114   115   109   110  
  111   112   113   114   115   109  
  110   111   112  
    0  
  112   113   114   115  
  113   114   115  
  114   115  
  115  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   98   3.5000   0.0660  -0.180000   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   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  109   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  110   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  111   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   317.000  1.510
   33    40   317.000  1.522
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    45   317.000  1.510
   45    49   268.000  1.529
   45    74   268.000  1.529
   45    54   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    59   268.000  1.529
   56    63   268.000  1.529
   56    67   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    69   317.000  1.522
   69    70   570.000  1.229
   69    74   317.000  1.522
   74    39   317.000  1.510
   74    83   320.000  1.410
   39    44   549.000  1.340
   44    46   320.000  1.460
   44    47   510.000  1.338
   46    52   469.000  1.400
   46    75   469.000  1.400
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    71   469.000  1.400
   62    72   317.000  1.510
   71    75   469.000  1.400
   71    76   450.000  1.364
   75    40   310.000  1.470
   40    41   570.000  1.229
   76    77   553.000  0.945
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    97   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    84   268.000  1.529
   81    86   320.000  1.410
   84    85   340.000  1.090
   84    90   268.000  1.529
   84    92   320.000  1.410
   90    91   340.000  1.090
   90    97   320.000  1.410
   90    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   92    93   553.000  0.945
   86    87   553.000  0.945
   47    48   553.000  0.945
   83    88   320.000  1.380
   88    89   340.000  1.090
   88    94   250.000  1.527
   88   111   320.000  1.380
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   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   268.000  1.529
  105   109   320.000  1.410
  107   108   340.000  1.090
  107   111   320.000  1.410
  107   112   268.000  1.529
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
  109   110   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   553.000  0.945
   54    55   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    40    75.00000  110.18000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    39    74    65.00000  117.92700
   33    39    44    70.00000  124.00000
   33    40    75    65.00000  115.47100
   33    40    41    80.00000  120.40000
   37    42    43    35.00000  120.00000
   37    42    45    70.00000  124.00000
   42    37    38    35.00000  120.00000
   42    45    49    70.00000  112.02700
   42    45    74    70.00000  112.02700
   42    45    54    90.00000  110.39200
   45    42    43    35.00000  117.00000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    56    58.35000  112.70000
   45    74    69    63.00000  111.10000
   45    74    39    70.00000  112.02700
   45    74    83    50.00000  109.50000
   45    54    55    55.00000  108.50000
   49    56    59    58.35000  112.70000
   49    56    63    58.35000  112.70000
   49    56    67    50.00000  109.50000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    69    63.00000  111.10000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   56    67    68    55.00000  108.50000
   59    69    70    80.00000  120.40000
   59    69    74    70.00000  116.00000
   61    59    60    33.00000  107.80000
   69    59    60    35.00000  109.50000
   69    59    61    35.00000  109.50000
   69    74    39    70.00000  109.06800
   69    74    83    90.00000  108.74100
   74    45    49    58.35000  112.70000
   74    69    70    80.00000  120.40000
   74    39    44    70.00000  124.00000
   74    83    88    60.00000  109.50000
   39    33    37    70.00000  110.12100
   39    44    46    60.00000  123.20500
   39    44    47    80.00000  121.38400
   44    46    52    60.00000  120.93500
   44    46    75    60.00000  120.93500
   44    47    48    70.00000  107.45700
   46    52    53    35.00000  120.00000
   46    52    57    63.00000  120.00000
   46    75    71    63.00000  120.00000
   46    75    40    60.00000  119.52600
   52    57    58    35.00000  120.00000
   52    57    62    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    62    71    63.00000  120.00000
   57    62    72    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    71    75    63.00000  120.00000
   62    71    76    70.00000  120.00000
   62    72    73    35.00000  109.50000
   62    72    78    70.00000  112.17500
   62    72    97    85.00000  111.85700
   71    75    40    60.00000  119.52600
   71    76    77    35.00000  113.00000
   75    46    52    63.00000  120.00000
   75    40    41    75.00000  123.78400
   40    33    37    70.00000  109.06800
   40    33    39    70.00000  109.06800
   76    71    75    70.00000  120.00000
   72    62    71    70.00000  120.00000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    81    58.35000  112.70000
   72    97    90    60.00000  109.50000
   78    72    73    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    84    58.35000  112.70000
   78    81    86    50.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    90    58.35000  112.70000
   81    84    92    50.00000  109.50000
   81    86    87    55.00000  108.50000
   84    81    82    37.50000  110.70000
   84    90    91    37.50000  110.70000
   84    90    97    50.00000  109.50000
   84    90    98    58.35000  112.70000
   84    92    93    55.00000  108.50000
   90    84    85    37.50000  110.70000
   90    98    99    37.50000  110.70000
   90    98   100    37.50000  110.70000
   90    98   101    37.50000  110.70000
   97    72    73    35.00000  109.50000
   97    72    78    50.00000  109.50000
   97    90    91    35.00000  109.50000
   98    90    91    37.50000  110.70000
   98    90    97    50.00000  109.50000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   92    84    85    35.00000  109.50000
   92    84    90    50.00000  109.50000
   86    81    82    35.00000  109.50000
   86    81    84    50.00000  109.50000
   47    44    46    85.00000  114.86500
   83    74    39    85.00000  110.90400
   83    88    89    35.00000  109.50000
   83    88    94    90.00000  108.56700
   83    88   111    92.60000  111.55000
   88    94    95    45.00000  108.72000
   88    94    96    45.00000  108.72000
   88    94   102    75.00000  109.43000
   88   111   107    60.00000  109.50000
   94    88    89    45.00000  112.01100
   94   102   103    37.50000  110.70000
   94   102   104    37.50000  110.70000
   94   102   105    58.35000  112.70000
   96    94    95    33.00000  107.80000
  102    94    95    37.50000  110.70000
  102    94    96    37.50000  110.70000
  102   105   106    37.50000  110.70000
  102   105   107    58.35000  112.70000
  102   105   109    50.00000  109.50000
  104   102   103    33.00000  107.80000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  105   107   108    37.50000  110.70000
  105   107   111    50.00000  109.50000
  105   107   112    58.35000  112.70000
  105   109   110    55.00000  108.50000
  107   105   106    37.50000  110.70000
  107   112   113    37.50000  110.70000
  107   112   114    37.50000  110.70000
  107   112   115    37.50000  110.70000
  111    88    89    35.00000  109.50000
  111    88    94    90.00000  108.56700
  111   107   108    35.00000  109.50000
  112   107   108    37.50000  110.70000
  112   107   111    50.00000  109.50000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
  109   105   106    35.00000  109.50000
  109   105   107    50.00000  109.50000
   63    56    59    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    56    59    50.00000  109.50000
   67    56    63    50.00000  109.50000
   54    45    49    50.00000  109.50000
   54    45    74    50.00000  109.50000
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
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   80    78    81    84   0.15000  1.0 3.0
   80    78    81    86   0.23400  1.0 3.0
   81    84    90    91   0.15000  1.0 3.0
   81    84    90    97   0.62750  1.0 1.0
   81    84    90    97  -0.30950 -1.0 2.0
   81    84    90    97   0.27300  1.0 3.0
   81    84    90    98   0.56750  1.0 1.0
   81    84    90    98  -0.07550 -1.0 2.0
   81    84    90    98   0.20000  1.0 3.0
   81    84    92    93  -0.11600  1.0 1.0
   81    84    92    93  -0.09450 -1.0 2.0
   81    84    92    93   0.21250  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    90   0.15000  1.0 3.0
   82    81    84    92   0.23400  1.0 3.0
   82    81    86    87   0.19450  1.0 3.0
   84    81    86    87  -0.11600  1.0 1.0
   84    81    86    87  -0.09450 -1.0 2.0
   84    81    86    87   0.21250  1.0 3.0
   84    90   -97    72   0.06250  1.0 1.0
   84    90   -97    72  -0.01100 -1.0 2.0
   84    90   -97    72   0.28050  1.0 3.0
   84    90    98    99   0.15000  1.0 3.0
   84    90    98   100   0.15000  1.0 3.0
   84    90    98   101   0.15000  1.0 3.0
   85    84    90    91   0.15000  1.0 3.0
   85    84    90    97   0.23400  1.0 3.0
   85    84    90    98   0.15000  1.0 3.0
   85    84    92    93   0.19450  1.0 3.0
   90    84    92    93  -0.11600  1.0 1.0
   90    84    92    93  -0.09450 -1.0 2.0
   90    84    92    93   0.21250  1.0 3.0
   91    90    97    72   0.37050  1.0 3.0
   91    90    98    99   0.15000  1.0 3.0
   91    90    98   100   0.15000  1.0 3.0
   91    90    98   101   0.15000  1.0 3.0
   97    72    78    79   0.23400  1.0 3.0
   97    72    78    80   0.23400  1.0 3.0
   97    72   -78    81   0.62750  1.0 1.0
   97    72   -78    81  -0.30950 -1.0 2.0
   97    72   -78    81   0.27300  1.0 3.0
   97    90    98    99   0.23400  1.0 3.0
   97    90    98   100   0.23400  1.0 3.0
   97    90    98   101   0.23400  1.0 3.0
   98    90    97    72   0.06250  1.0 1.0
   98    90    97    72  -0.01100 -1.0 2.0
   98    90    97    72   0.28050  1.0 3.0
   92    84    90    91   0.23400  1.0 3.0
   92    84    90    97   3.69350  1.0 1.0
   92    84    90    97  -1.82950 -1.0 2.0
   92    84    90    98   0.86500  1.0 1.0
   92    84    90    98  -0.17500 -1.0 2.0
   92    84    90    98   0.20800  1.0 3.0
   86    81    84    85   0.23400  1.0 3.0
   86    81    84    90   0.86500  1.0 1.0
   86    81    84    90  -0.17500 -1.0 2.0
   86    81    84    90   0.20800  1.0 3.0
   86    81    84    92   3.75450  1.0 1.0
   47    44    46    52  -0.01750  1.0 1.0
   47    44    46    52  -0.32000 -1.0 2.0
   47    44    46    52   0.00600  1.0 3.0
   47    44    46    75  -0.01750  1.0 1.0
   47    44    46    75  -0.32000 -1.0 2.0
   47    44    46    75   0.00600  1.0 3.0
   83    74    39    33   0.09700  1.0 1.0
   83    74    39    33   0.15600 -1.0 2.0
   83    74    39    33  -0.50800  1.0 3.0
   83    74    39    44   0.39000  1.0 1.0
   83    74    39    44  -0.05800 -1.0 2.0
   83    74    39    44  -0.55150  1.0 3.0
   83    88    94    95   0.23400  1.0 3.0
   83    88    94    96   0.23400  1.0 3.0
   83    88    94   102   0.62750  1.0 1.0
   83    88    94   102  -0.30950 -1.0 2.0
   83    88    94   102   0.27300  1.0 3.0
   83    88   111   107  -0.81800  1.0 1.0
   88    94   102   103   0.15000  1.0 3.0
   88    94   102   104   0.15000  1.0 3.0
   88    94   102   105   3.97050  1.0 1.0
   89    88    94    95   0.15000  1.0 3.0
   89    88    94    96   0.15000  1.0 3.0
   89    88    94   102   0.15000  1.0 3.0
   89    88   111   107   0.37050  1.0 3.0
   94    88   111   107   0.06250  1.0 1.0
   94    88   111   107  -0.01100 -1.0 2.0
   94    88   111   107   0.28050  1.0 3.0
   94   102   105   106   0.15000  1.0 3.0
   94   102  -105   107   0.56750  1.0 1.0
   94   102  -105   107  -0.07550 -1.0 2.0
   94   102  -105   107   0.20000  1.0 3.0
   94   102   105   109   0.86500  1.0 1.0
   94   102   105   109  -0.17500 -1.0 2.0
   94   102   105   109   0.20800  1.0 3.0
   95    94   102   103   0.15000  1.0 3.0
   95    94   102   104   0.15000  1.0 3.0
   95    94   102   105   0.15000  1.0 3.0
   96    94   102   103   0.15000  1.0 3.0
   96    94   102   104   0.15000  1.0 3.0
   96    94   102   105   0.15000  1.0 3.0
  102   105   107   108   0.15000  1.0 3.0
  102   105   107   111   0.62750  1.0 1.0
  102   105   107   111  -0.30950 -1.0 2.0
  102   105   107   111   0.27300  1.0 3.0
  102   105   107   112   0.56750  1.0 1.0
  102   105   107   112  -0.07550 -1.0 2.0
  102   105   107   112   0.20000  1.0 3.0
  102   105   109   110  -0.11600  1.0 1.0
  102   105   109   110  -0.09450 -1.0 2.0
  102   105   109   110   0.21250  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   109   0.23400  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   109   0.23400  1.0 3.0
  105   107  -111    88   0.06250  1.0 1.0
  105   107  -111    88  -0.01100 -1.0 2.0
  105   107  -111    88   0.28050  1.0 3.0
  105   107   112   113   0.15000  1.0 3.0
  105   107   112   114   0.15000  1.0 3.0
  105   107   112   115   0.15000  1.0 3.0
  106   105   107   108   0.15000  1.0 3.0
  106   105   107   111   0.23400  1.0 3.0
  106   105   107   112   0.15000  1.0 3.0
  106   105   109   110   0.19450  1.0 3.0
  107   105   109   110  -0.11600  1.0 1.0
  107   105   109   110  -0.09450 -1.0 2.0
  107   105   109   110   0.21250  1.0 3.0
  108   107   111    88   0.37050  1.0 3.0
  108   107   112   113   0.15000  1.0 3.0
  108   107   112   114   0.15000  1.0 3.0
  108   107   112   115   0.15000  1.0 3.0
  111    88    94    95   0.23400  1.0 3.0
  111    88    94    96   0.23400  1.0 3.0
  111    88   -94   102   0.62750  1.0 1.0
  111    88   -94   102  -0.30950 -1.0 2.0
  111    88   -94   102   0.27300  1.0 3.0
  111   107   112   113   0.23400  1.0 3.0
  111   107   112   114   0.23400  1.0 3.0
  111   107   112   115   0.23400  1.0 3.0
  112   107   111    88   0.06250  1.0 1.0
  112   107   111    88  -0.01100 -1.0 2.0
  112   107   111    88   0.28050  1.0 3.0
  109   105   107   108   0.23400  1.0 3.0
  109   105   107   111   3.69350  1.0 1.0
  109   105   107   111  -1.82950 -1.0 2.0
  109   105   107   112   0.86500  1.0 1.0
  109   105   107   112  -0.17500 -1.0 2.0
  109   105   107   112   0.20800  1.0 3.0
   63    56    59    60   0.15000  1.0 3.0
   63    56    59    61   0.15000  1.0 3.0
   63    56    59    69  -0.95700  1.0 1.0
   63    56    59    69  -0.18200 -1.0 2.0
   63    56    59    69   0.29450  1.0 3.0
   63    56    67    68  -0.11600  1.0 1.0
   63    56    67    68  -0.09450 -1.0 2.0
   63    56    67    68   0.21250  1.0 3.0
   67    56    59    60   0.23400  1.0 3.0
   67    56    59    61   0.23400  1.0 3.0
   67    56    59    69  -0.09450  1.0 1.0
   67    56    59    69  -1.12950 -1.0 2.0
   67    56    59    69   0.54000  1.0 3.0
   67    56    63    64   0.23400  1.0 3.0
   67    56    63    65   0.23400  1.0 3.0
   67    56    63    66   0.23400  1.0 3.0
   54    45    49    50   0.23400  1.0 3.0
   54    45    49    51   0.23400  1.0 3.0
   54    45    49    56   0.86500  1.0 1.0
   54    45    49    56  -0.17500 -1.0 2.0
   54    45    49    56   0.20800  1.0 3.0
   54    45    74    69  -0.09450  1.0 1.0
   54    45    74    69  -1.12950 -1.0 2.0
   54    45    74    69   0.54000  1.0 3.0
   54    45    74    39   1.05650  1.0 1.0
   54    45    74    39   0.15600 -1.0 2.0
   54    45    74    39   0.53150  1.0 3.0
   54    45    74    83   3.69350  1.0 1.0
   54    45    74    83  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   45    43    42    37   1.10000 -1.0 2.0
   59    74    69    70  10.50000 -1.0 2.0
   33    74    39    44   1.10000 -1.0 2.0
   46    47    44    39   1.10000 -1.0 2.0
   52    75    46    44   4.00000 -1.0 2.0
   57    53    52    46   1.10000 -1.0 2.0
   62    58    57    52   1.10000 -1.0 2.0
   71    72    62    57   4.00000 -1.0 2.0
   75    76    71    62   4.00000 -1.0 2.0
   71    40    75    46   4.00000 -1.0 2.0
   33    75    40    41  10.50000 -1.0 2.0
END
