* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    220    361     672
    1     0 S   NP   _N1_     1    28.68676    94.46215   -19.96086
    2     1 S   H    _HN1     2     1.02958    97.06041    11.65662
    3     1 S   H    _H1_     3     1.02838    34.21202   121.80492
    4     1 S   H    _H2_     4     1.02779    80.77372   -95.83189
    5     1 S   CT   _CA1     5     1.50110   142.58443   149.46235
    6     5 S   HC   _HA1     6     1.09571   105.27608    43.14653
    7     5 S   CO3  _C1_     7     1.53807   112.20235   -77.16584
    8     7 S   O2Z  _O11     8     1.26367   115.02912   -47.64002
    9     7 S   O2Z  _O12     9     1.26213   114.88884   131.45757
   10     5 S   CT   _CB1    10     1.53070   107.42695   161.08053
   11    10 S   HC   HB11    11     1.09826   109.49153   -50.15307
   12    10 S   HC   HB12    12     1.09825   110.35154    66.40701
   13    10 S   CT   _CG1    13     1.53025   112.65852  -171.21857
   14    13 S   HC   HG11    14     1.09614   110.42458   -60.60378
   15    13 S   HC   HG12    15     1.09628   110.09803    58.68783
   16    13 S   C    _CD1    16     1.51799   112.09669   179.13815
   17    16 S   O    _OE1    17     1.22740   123.22447    -4.60666
   18    16 S   N    _N2_    18     1.38610   111.72608   175.13961
   19    18 S   H    _HN2    19     1.01604   119.10546     2.31841
   20    18 S   CT1  _CA2    20     1.46312   123.27850  -176.03173
   21    20 S   HC   _HA2    21     1.09736   109.38997   -11.49644
   22    20 S   C    _C2_    22     1.53376   108.72545  -127.39035
   23    22 S   O    _O2_    23     1.23024   122.15261  -147.35847
   24    20 S   CT   _CB2    32     1.53774   111.15182   110.29815
   25    24 S   HC   HB21    33     1.09255   108.30518    56.71330
   26    24 S   HC   HB22    34     1.09202   110.08173   175.21349
   27    22 S   N    _N3_    24     1.38478   113.42132    40.16209
   28    27 S   H    _HN3    25     1.01525   118.89671    -0.84441
   29    24 S   S    _SG2    35     1.82889   110.75312   -63.70398
   30    27 S   CT   _CA3    26     1.45448   123.48109   174.92464
   31    30 S   HC   HA31    27     1.09522   109.26760    23.80355
   32    30 S   HC   HA32    28     1.09496   107.11813   140.82368
   33    29 S   CT   _C20    36     1.90651   104.94194  -179.50150
   34    30 S   CO3  _C3_    29     1.52927   113.08428   -99.68491
   35    34 S   O2Z  _O31    30     1.26406   115.40171   -44.39809
   36    34 S   O2Z  _O32    31     1.26355   114.98841   136.52291
   37    33 S   CT   _C8_    37     1.53512   110.56765   -33.23008
   38    37 S   HC   _H38    38     1.08612   112.61362   174.18116
   39    37 S   HC   _H39    39     1.09324   112.93580    55.84371
   40    33 S   CT   _C15    56     1.60313   107.34154  -153.25712
   41    40 S   HC   _H51    57     1.10060   107.77135   -43.27161
   42    37 S   CO4  _C5_    40     1.51145   112.34164   -68.88031
   43    42 S   O    _O29    41     1.22938   121.20433   123.45086
   44    40 S   CT   _C10    58     1.56766   111.12425  -157.19086
   45    44 S   HC   _H42    59     1.09489   109.45848   -77.85127
   46    44 S   HC   _H43    60     1.09626   109.09494   166.46981
   47    42 S   CT   _C14    42     1.52550   115.55359   -59.73497
   48    47 S   HC   _H50    43     1.09875   104.99272   -58.72916
   49    44 S   CT   _C12    61     1.53628   117.31757    47.26530
   50    49 S   HC   _H46    62     1.09697   108.91742    69.00414
   51    49 S   HC   _H47    63     1.09408   107.71794  -176.83226
   52    47 S   CT   _C7_    44     1.53433   111.32303  -173.35341
   53    52 S   HC   _H36    45     1.09569   110.50003   162.50619
   54    52 S   HC   _H37    46     1.09634   110.66208    44.25733
   55    49 S   CT   _C18    64     1.53294   112.14793   -54.33320
   56    52 S   CO4  _C4_    47     1.51306   112.73510   -77.40773
   57    56 S   O    _O28    48     1.23120   121.05757   140.54022
   58    55 S   CT   _C16    65     1.57487   115.37405   165.24818
   59    58 S   HC   _H52    66     1.09797   107.42184   -42.39260
   60    55 S   CT   _C22   103     1.54718   109.42815   -71.51403
   61    60 S   HC   _H56   104     1.09356   112.70785   167.13604
   62    60 S   HC   _H57   105     1.08983   113.27108    44.02395
   63    60 S   HC   _H58   106     1.09384   111.41547   -72.32804
   64    56 S   CT   _C6_    49     1.50903   117.42642   -45.47473
   65    64 S   HC   _H34    50     1.09587   108.40787   166.18787
   66    64 S   HC   _H35    51     1.09309   108.99584   -77.44627
   67    58 S   CT   _C11    67     1.55303   102.12227  -155.56063
   68    67 S   HC   _H44    68     1.09619   111.76302   -98.09708
   69    67 S   HC   _H45    69     1.09598   110.36886   142.29428
   70    58 S   CT   _C28    76     1.55896   120.93701    79.37563
   71    70 S   HC   _H72    77     1.09783   108.86353    58.95641
   72    64 S   CT   _C9_    52     1.52715   110.58972    46.70800
   73    72 S   HC   _H40    53     1.08837   104.58041    69.57638
   74    72 S   HC   _H41    54     1.09669   109.28140  -176.13208
   75    67 S   CT   _C13    70     1.53985   107.56109    21.68013
   76    75 S   HC   _H48    71     1.09478   108.86772   128.94671
   77    75 S   HC   _H49    72     1.09436   109.63353  -112.82679
   78    70 S   CT   _C23    78     1.53514   112.02452   -58.59964
   79    78 S   HC   _H59    79     1.09469   111.50100   -50.07834
   80    78 S   HC   _H60    80     1.09230   111.11077    70.77114
   81    78 S   HC   _H61    81     1.09394   111.94585  -171.17978
   82    70 S   CT   _C29    82     1.56049   112.42215   175.39942
   83    82 S   HC   _H73    83     1.09470   108.93900   -54.68920
   84    47 S   CT   _C17    55     1.55062   110.13040    58.99056
   85    33 S   CT   _C19    73     1.57657   105.09648    90.93256
   86    82 S   CT   _C26    84     1.53953   115.00995    67.54274
   87    86 S   HC   _H68    85     1.09502   109.45897    63.53785
   88    86 S   HC   _H69    86     1.09290   109.63926   -54.66019
   89    82 S   OH   _O33   101     1.43158   109.02851  -168.76586
   90    89 S   HO   _H75   102     0.97162   108.40707   -80.92068
   91    85 S   OH   _O30    74     1.46151   105.84693    51.41493
   92    91 S   HO   _H74    75     0.97352   107.16138   -55.57541
   93    86 S   CT   _C27    87     1.53591   111.77919  -176.07804
   94    93 S   HC   _H70    88     1.09875   109.15271    54.88031
   95    93 S   HC   _H71    89     1.09835   109.55260   -59.46756
   96    84 S   CT   _C21   107     1.55818   108.95058  -170.21695
   97    96 S   HC   _H53   108     1.09502   111.89221    54.01385
   98    96 S   HC   _H54   109     1.09285   113.28877   -64.54096
   99    96 S   HC   _H55   110     1.09588   110.70799   175.38909
  100    93 S   CT   _C30    90     1.54225   115.50888   177.65832
  101   100 S   CT   _C24    91     1.53009   112.23454    61.88517
  102   101 S   HC   _H62    92     1.09586   110.75980    54.37784
  103   101 S   HC   _H63    93     1.09626   110.82252   172.13319
  104   101 S   HC   _H64    94     1.09412   112.14675   -67.14314
  105   100 S   CT   _C25    95     1.53035   112.25693   -63.40147
  106   105 S   HC   _H65    96     1.09586   110.76496   -54.18962
  107   105 S   HC   _H66    97     1.09629   110.80523  -171.91983
  108   105 S   HC   _H67    98     1.09399   112.21476    67.37017
  109   100 S   OH   _O34    99     1.43440   106.19934   179.27046
  110   109 S   HO   _H76   100     0.97248   108.08570  -180.00000
  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
  25   2   1   1  15   6   5  24   9  11   4  13   6   5  15   7
  15   5   4  10   5   4  19   8   4  23  10   8   3   2   1   7
   5   4  11   6   5  15   8   7   3   2   5   3   2   7   3   2
   1  10   6   5   2  11   6   5   2   1   1   1  13   5   4   3
   2   1   1  10   9   4   3   2   5   3   2   1   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    40    85    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    84    40    41    44    55    75    85    91  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    47    72    84    40    41    44    45    46    49    55    58    67    75    76    77    85    91    92    60    96  
   35    36  
   36  
    0  
   38    39    42    43    47    48    52    84    40    41    44    55    75    85    91  
   39    42    43    47    40    85  
   42    43    47    40    85  
   41    44    45    46    49    50    51    55    75    85    91    96    97    98    99    42    47    48    52    64    72    73    74    84  
   44    45    46    49    85    96    47    72    84  
   43    47    48    52    53    54    56    72    84    85    96  
   47    48    52    84  
   45    46    49    50    51    55    58    85    60    96    47    72    84  
   46    49    50    51    55    84  
   49    50    51    55    84  
   48    52    53    54    56    57    64    72    73    74    84    96    97    98    99  
   52    53    54    56    72    84    96  
   50    51    55    58    59    67    75    85    91    70    60    61    62    63    84  
   51    55    58    85    60  
   55    58    85    60  
   53    54    56    57    64    65    66    72    84    96  
   54    56    57    64    84  
   56    57    64    84  
   58    59    67    68    69    75    76    77    85    91    92    70    71    78    82    60    61    62    63  
   57    64    65    66    72    73    74    84  
   64    65    66    72  
   59    67    68    69    75    76    77    85    91    70    71    78    79    80    81    82    83    86    89    60    61    62    63  
   67    68    69    75    85    70    71    78    82    60  
   61    62    63    67    70    75    85    91  
   62    63    85  
   63    85  
   85  
   65    66    72    73    74    84    96  
   66    72    73    74    84  
   72    73    74    84  
   68    69    75    76    77    85    91    70    71    78    82  
   69    75    76    77    85    70  
   75    76    77    85    70  
   71    78    79    80    81    82    83    86    87    88    93    89    90    75    85  
   78    79    80    81    82    83    86    89  
   73    74    84    96    97    98    99  
   74    84    96  
   84    96  
   76    77    85    91    92  
   77    85    91  
   85    91  
   79    80    81    82    83    86    89  
   80    81    82  
   81    82  
   82  
   83    86    87    88    93    94    95   100    89    90  
   86    87    88    93    89    90  
   85    96    97    98    99  
   91    92  
   87    88    93    94    95   100   101   105   109    89    90  
   88    93    94    95   100    89  
   93    94    95   100    89  
   90    93  
    0  
   92  
    0  
   94    95   100   101   102   103   104   105   106   107   108   109   110  
   95   100   101   105   109  
  100   101   105   109  
   97    98    99  
   98    99  
   99  
    0  
  101   102   103   104   105   106   107   108   109   110  
  102   103   104   105   106   107   108   109   110  
  103   104   105   109  
  104   105   109  
  105   109  
  106   107   108   109   110  
  107   108   109  
  108   109  
  109  
  110  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   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
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    40   268.000  1.529
   33    85   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    84   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   317.000  1.522
   56    57   570.000  1.229
   56    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    84   268.000  1.529
   84    40   268.000  1.529
   84    96   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    58   268.000  1.529
   55    85   268.000  1.529
   55    60   268.000  1.529
   58    59   340.000  1.090
   58    67   268.000  1.529
   58    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    85   268.000  1.529
   85    91   320.000  1.410
   91    92   553.000  0.945
   70    71   340.000  1.090
   70    78   268.000  1.529
   70    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    86   268.000  1.529
   82    89   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   100   268.000  1.529
  100   101   268.000  1.529
  100   105   268.000  1.529
  100   109   320.000  1.410
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   553.000  0.945
   89    90   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   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    40    75.00000  111.63000
   29    33    85    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    40    84    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    85    55    58.35000  112.70000
   33    85    75    58.35000  112.70000
   33    85    91    50.00000  109.50000
   37    42    43    80.00000  120.40000
   37    42    47    70.00000  116.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    52    63.00000  111.10000
   42    47    84    63.00000  111.10000
   47    42    43    80.00000  120.40000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    56    63.00000  111.10000
   47    84    72    58.35000  112.70000
   47    84    40    58.35000  112.70000
   47    84    96    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    56    57    80.00000  120.40000
   52    56    64    70.00000  116.00000
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    64    65    35.00000  109.50000
   56    64    66    35.00000  109.50000
   56    64    72    63.00000  111.10000
   64    56    57    80.00000  120.40000
   64    72    73    37.50000  110.70000
   64    72    74    37.50000  110.70000
   64    72    84    58.35000  112.70000
   66    64    65    33.00000  107.80000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    84    40    58.35000  112.70000
   72    84    96    58.35000  112.70000
   74    72    73    33.00000  107.80000
   84    47    48    37.50000  110.70000
   84    47    52    58.35000  112.70000
   84    72    73    37.50000  110.70000
   84    72    74    37.50000  110.70000
   84    40    41    37.50000  110.70000
   84    40    44    58.35000  112.70000
   84    96    97    37.50000  110.70000
   84    96    98    37.50000  110.70000
   84    96    99    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    49    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    55    58.35000  112.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    55    58    58.35000  112.70000
   49    55    85    58.35000  112.70000
   49    55    60    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    67    58.35000  112.70000
   55    58    70    58.35000  112.70000
   55    85    75    58.35000  112.70000
   55    85    91    50.00000  109.50000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    75    58.35000  112.70000
   58    70    71    37.50000  110.70000
   58    70    78    58.35000  112.70000
   58    70    82    58.35000  112.70000
   67    58    59    37.50000  110.70000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    85    58.35000  112.70000
   69    67    68    33.00000  107.80000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    85    91    50.00000  109.50000
   77    75    76    33.00000  107.80000
   85    33    37    58.35000  112.70000
   85    33    40    58.35000  112.70000
   85    55    58    58.35000  112.70000
   85    75    76    37.50000  110.70000
   85    75    77    37.50000  110.70000
   85    91    92    55.00000  108.50000
   70    58    59    37.50000  110.70000
   70    58    67    58.35000  112.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    81    37.50000  110.70000
   70    82    83    37.50000  110.70000
   70    82    86    58.35000  112.70000
   70    82    89    50.00000  109.50000
   78    70    71    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    70    71    37.50000  110.70000
   82    70    78    58.35000  112.70000
   82    86    87    37.50000  110.70000
   82    86    88    37.50000  110.70000
   82    86    93    58.35000  112.70000
   82    89    90    55.00000  108.50000
   86    82    83    37.50000  110.70000
   86    93    94    37.50000  110.70000
   86    93    95    37.50000  110.70000
   86    93   100    58.35000  112.70000
   88    86    87    33.00000  107.80000
   93    86    87    37.50000  110.70000
   93    86    88    37.50000  110.70000
   93   100   101    58.35000  112.70000
   93   100   105    58.35000  112.70000
   93   100   109    50.00000  109.50000
   95    93    94    33.00000  107.80000
  100    93    94    37.50000  110.70000
  100    93    95    37.50000  110.70000
  100   101   102    37.50000  110.70000
  100   101   103    37.50000  110.70000
  100   101   104    37.50000  110.70000
  100   105   106    37.50000  110.70000
  100   105   107    37.50000  110.70000
  100   105   108    37.50000  110.70000
  100   109   110    55.00000  108.50000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
  105   100   101    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   100   101    50.00000  109.50000
  109   100   105    50.00000  109.50000
   89    82    83    35.00000  109.50000
   89    82    86    50.00000  109.50000
   60    55    58    58.35000  112.70000
   60    55    85    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   96    84    40    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    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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   67    75   -85    55  -0.07550 -1.0 2.0
   67    75   -85    55   0.20000  1.0 3.0
   67    75    85    91   0.86500  1.0 1.0
   67    75    85    91  -0.17500 -1.0 2.0
   67    75    85    91   0.20800  1.0 3.0
   68    67    75    76   0.15000  1.0 3.0
   68    67    75    77   0.15000  1.0 3.0
   68    67    75    85   0.15000  1.0 3.0
   69    67    75    76   0.15000  1.0 3.0
   69    67    75    77   0.15000  1.0 3.0
   69    67    75    85   0.15000  1.0 3.0
   75    85    91    92  -0.11600  1.0 1.0
   75    85    91    92  -0.09450 -1.0 2.0
   75    85    91    92   0.21250  1.0 3.0
   76    75    85    33   0.15000  1.0 3.0
   76    75    85    55   0.15000  1.0 3.0
   76    75    85    91   0.23400  1.0 3.0
   77    75    85    33   0.15000  1.0 3.0
   77    75    85    55   0.15000  1.0 3.0
   77    75    85    91   0.23400  1.0 3.0
   85    33    37    38   0.15000  1.0 3.0
   85    33    37    39   0.15000  1.0 3.0
   85    33    37    42  -0.95700  1.0 1.0
   85    33    37    42  -0.18200 -1.0 2.0
   85    33    37    42   0.29450  1.0 3.0
   85    33    40    84   0.56750  1.0 1.0
   85    33    40    84  -0.07550 -1.0 2.0
   85    33    40    84   0.20000  1.0 3.0
   85    33    40    41   0.15000  1.0 3.0
   85    33   -40    44   0.56750  1.0 1.0
   85    33   -40    44  -0.07550 -1.0 2.0
   85    33   -40    44   0.20000  1.0 3.0
   85    55    58    59   0.15000  1.0 3.0
   85    55   -58    67   0.56750  1.0 1.0
   85    55   -58    67  -0.07550 -1.0 2.0
   85    55   -58    67   0.20000  1.0 3.0
   85    55    58    70   0.56750  1.0 1.0
   85    55    58    70  -0.07550 -1.0 2.0
   85    55    58    70   0.20000  1.0 3.0
   85    55    60    61   0.15000  1.0 3.0
   85    55    60    62   0.15000  1.0 3.0
   85    55    60    63   0.15000  1.0 3.0
   70    58    67    68   0.15000  1.0 3.0
   70    58    67    69   0.15000  1.0 3.0
   70    58    67    75   0.56750  1.0 1.0
   70    58    67    75  -0.07550 -1.0 2.0
   70    58    67    75   0.20000  1.0 3.0
   70    82    86    87   0.15000  1.0 3.0
   70    82    86    88   0.15000  1.0 3.0
   70    82    86    93   0.56750  1.0 1.0
   70    82    86    93  -0.07550 -1.0 2.0
   70    82    86    93   0.20000  1.0 3.0
   70    82    89    90  -0.11600  1.0 1.0
   70    82    89    90  -0.09450 -1.0 2.0
   70    82    89    90   0.21250  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    80   0.15000  1.0 3.0
   71    70    78    81   0.15000  1.0 3.0
   71    70    82    83   0.15000  1.0 3.0
   71    70    82    86   0.15000  1.0 3.0
   71    70    82    89   0.23400  1.0 3.0
   78    70    82    83   0.15000  1.0 3.0
   78    70    82    86   0.56750  1.0 1.0
   78    70    82    86  -0.07550 -1.0 2.0
   78    70    82    86   0.20000  1.0 3.0
   78    70    82    89   0.86500  1.0 1.0
   78    70    82    89  -0.17500 -1.0 2.0
   78    70    82    89   0.20800  1.0 3.0
   82    70    78    79   0.15000  1.0 3.0
   82    70    78    80   0.15000  1.0 3.0
   82    70    78    81   0.15000  1.0 3.0
   82    86    93    94   0.15000  1.0 3.0
   82    86    93    95   0.15000  1.0 3.0
   82    86    93   100   0.56750  1.0 1.0
   82    86    93   100  -0.07550 -1.0 2.0
   82    86    93   100   0.20000  1.0 3.0
   83    82    86    87   0.15000  1.0 3.0
   83    82    86    88   0.15000  1.0 3.0
   83    82    86    93   0.15000  1.0 3.0
   83    82    89    90   0.19450  1.0 3.0
   86    82    89    90  -0.11600  1.0 1.0
   86    82    89    90  -0.09450 -1.0 2.0
   86    82    89    90   0.21250  1.0 3.0
   86    93   100   101   0.56750  1.0 1.0
   86    93   100   101  -0.07550 -1.0 2.0
   86    93   100   101   0.20000  1.0 3.0
   86    93   100   105   0.56750  1.0 1.0
   86    93   100   105  -0.07550 -1.0 2.0
   86    93   100   105   0.20000  1.0 3.0
   86    93   100   109   0.86500  1.0 1.0
   86    93   100   109  -0.17500 -1.0 2.0
   86    93   100   109   0.20800  1.0 3.0
   87    86    93    94   0.15000  1.0 3.0
   87    86    93    95   0.15000  1.0 3.0
   87    86    93   100   0.15000  1.0 3.0
   88    86    93    94   0.15000  1.0 3.0
   88    86    93    95   0.15000  1.0 3.0
   88    86    93   100   0.15000  1.0 3.0
   93   100   101   102   0.15000  1.0 3.0
   93   100   101   103   0.15000  1.0 3.0
   93   100   101   104   0.15000  1.0 3.0
   93   100   105   106   0.15000  1.0 3.0
   93   100   105   107   0.15000  1.0 3.0
   93   100   105   108   0.15000  1.0 3.0
   93   100   109   110  -0.11600  1.0 1.0
   93   100   109   110  -0.09450 -1.0 2.0
   93   100   109   110   0.21250  1.0 3.0
   94    93   100   101   0.15000  1.0 3.0
   94    93   100   105   0.15000  1.0 3.0
   94    93   100   109   0.23400  1.0 3.0
   95    93   100   101   0.15000  1.0 3.0
   95    93   100   105   0.15000  1.0 3.0
   95    93   100   109   0.23400  1.0 3.0
  101   100   105   106   0.15000  1.0 3.0
  101   100   105   107   0.15000  1.0 3.0
  101   100   105   108   0.15000  1.0 3.0
  101   100   109   110  -0.11600  1.0 1.0
  101   100   109   110  -0.09450 -1.0 2.0
  101   100   109   110   0.21250  1.0 3.0
  105   100   101   102   0.15000  1.0 3.0
  105   100   101   103   0.15000  1.0 3.0
  105   100   101   104   0.15000  1.0 3.0
  105   100   109   110  -0.11600  1.0 1.0
  105   100   109   110  -0.09450 -1.0 2.0
  105   100   109   110   0.21250  1.0 3.0
  109   100   101   102   0.23400  1.0 3.0
  109   100   101   103   0.23400  1.0 3.0
  109   100   101   104   0.23400  1.0 3.0
  109   100   105   106   0.23400  1.0 3.0
  109   100   105   107   0.23400  1.0 3.0
  109   100   105   108   0.23400  1.0 3.0
   89    82    86    87   0.23400  1.0 3.0
   89    82    86    88   0.23400  1.0 3.0
   89    82    86    93   0.86500  1.0 1.0
   89    82    86    93  -0.17500 -1.0 2.0
   89    82    86    93   0.20800  1.0 3.0
   60    55    58    59   0.15000  1.0 3.0
   60    55    58    67   0.56750  1.0 1.0
   60    55    58    67  -0.07550 -1.0 2.0
   60    55    58    67   0.20000  1.0 3.0
   60    55    58    70   0.56750  1.0 1.0
   60    55    58    70  -0.07550 -1.0 2.0
   60    55    58    70   0.20000  1.0 3.0
   60    55    85    33   0.56750  1.0 1.0
   60    55    85    33  -0.07550 -1.0 2.0
   60    55    85    33   0.20000  1.0 3.0
   60    55    85    75   0.56750  1.0 1.0
   60    55    85    75  -0.07550 -1.0 2.0
   60    55    85    75   0.20000  1.0 3.0
   60    55    85    91   0.86500  1.0 1.0
   60    55    85    91  -0.17500 -1.0 2.0
   60    55    85    91   0.20800  1.0 3.0
   96    84    40    33   0.56750  1.0 1.0
   96    84    40    33  -0.07550 -1.0 2.0
   96    84    40    33   0.20000  1.0 3.0
   96    84    40    41   0.15000  1.0 3.0
   96    84    40    44   0.56750  1.0 1.0
   96    84    40    44  -0.07550 -1.0 2.0
   96    84    40    44   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
   37    47    42    43  10.50000 -1.0 2.0
   52    64    56    57  10.50000 -1.0 2.0
END
