* LIGAND DATABASE FILE (OPLS2005)
*
001     109   114    225    362     670
    1     0 S   NP   _N1_     1    31.23707    94.85652   -14.95481
    2     1 S   H    _HN1     2     1.02771    70.04157   -19.16888
    3     1 S   H    _H1_     3     1.02970   149.72294    73.31243
    4     1 S   H    _H2_     4     1.02829    49.42277   118.79179
    5     1 S   CT   _CA1     5     1.50222    97.39868  -130.21244
    6     5 S   HC   _HA1     6     1.09556   105.28872    10.19640
    7     5 S   CO3  _C1_     7     1.53831   112.37514  -110.13163
    8     7 S   O2Z  _O11     8     1.26372   115.04866   -39.93353
    9     7 S   O2Z  _O12     9     1.26223   114.98392   139.08248
   10     5 S   CT   _CB1    10     1.52926   107.23721   128.25848
   11    10 S   HC   HB11    11     1.09854   109.61542   -49.30624
   12    10 S   HC   HB12    12     1.09612   110.00785    66.66231
   13    10 S   CT   _CG1    13     1.53008   113.13271  -170.48551
   14    13 S   HC   HG11    14     1.09537   111.36582   -61.31784
   15    13 S   HC   HG12    15     1.09578   110.78444    58.10765
   16    13 S   C    _CD1    16     1.51422   109.68176   177.63123
   17    16 S   O    _OE1    17     1.22815   121.76992   -92.45082
   18    16 S   N    _N2_    18     1.38363   112.71305    85.34117
   19    18 S   H    _HN2    19     1.01519   119.08336     4.68651
   20    18 S   CT1  _CA2    20     1.46226   123.68224  -174.14228
   21    20 S   HC   _HA2    21     1.09741   109.06089     5.37964
   22    20 S   C    _C2_    22     1.53482   109.53588  -110.68789
   23    22 S   O    _O2_    23     1.23099   122.14994  -150.52281
   24    20 S   CT   _CB2    32     1.53985   111.28123   126.70953
   25    24 S   HC   HB21    33     1.09116   108.79732    63.60888
   26    24 S   HC   HB22    34     1.09303   108.98289  -178.19290
   27    22 S   N    _N3_    24     1.38301   114.02905    37.01037
   28    27 S   H    _HN3    25     1.01588   119.65976    -3.75968
   29    24 S   S    _SG2    35     1.82922   110.41732   -58.43268
   30    27 S   CT   _CA3    26     1.45297   122.91253   176.84663
   31    30 S   HC   HA31    27     1.09559   107.54161   -62.81226
   32    30 S   HC   HA32    28     1.09565   107.89041    53.53536
   33    29 S   CT   _C24    36     1.92908   105.17098   164.50064
   34    30 S   CO3  _C3_    29     1.52883   114.30831   175.50848
   35    34 S   O2Z  _O31    30     1.26331   116.11148    -0.90978
   36    34 S   O2Z  _O32    31     1.26449   114.38139   179.14637
   37    33 S   CT   _C23    37     1.56278   110.54632   -50.49356
   38    37 S   HC   _H29    38     1.09548   110.92173    61.32369
   39    37 S   HC   _H30    39     1.09812   108.86910   174.08368
   40    33 S   CT   _C25    55     1.58603   111.48944    74.01406
   41    40 S   OM   _O37    56     1.32366   112.11643   -62.22294
   42    40 S   HC   _H8_    57     1.09802   105.73782   171.08646
   43    37 S   CO   _C22    40     1.53810   116.12599   -63.44873
   44    43 S   CT   _C21    41     1.52811   113.11083   -47.16922
   45    44 S   HC   _H27    42     1.09715   109.57170   -79.60996
   46    44 S   HC   _H28    43     1.09809   109.71786   165.69886
   47    43 S   OS   _O38   102     1.43730   111.10471    75.09564
   48    44 S   CT   _C20    44     1.53240   114.63160    43.86925
   49    48 S   HC   _H25    45     1.09499   109.64640    74.40829
   50    48 S   HC   _H26    46     1.09420   105.50371  -171.97045
   51    47 S   CT   _C27   103     1.42621   105.53667   108.51450
   52    51 S   HC   _H33   104     1.09522   108.03176   -89.15136
   53    51 S   HC   _H34   105     1.09262   110.76349   151.23694
   54    33 S   CT   _C19    47     1.62413   106.85153  -168.32842
   55    51 S   CT   _C28   106     1.50019   103.45202    29.26713
   56    55 S   HC   _H35   107     1.09509   111.88252    77.18946
   57    55 S   HC   _H36   108     1.09261   113.43298  -158.53872
   58    54 S   CT   _C18    48     1.60000   109.40689   -60.55722
   59    58 S   HC   _H7_    49     1.09700   106.91204    59.91150
   60    54 S   CT   _C29    98     1.56640   112.52621   179.35079
   61    60 S   HC   _H37    99     1.09082   113.82267    69.10554
   62    60 S   HC   _H38   100     1.09245   112.93663   -52.00694
   63    60 S   HC   _H39   101     1.09588   110.86359  -170.91801
   64    43 S   OS   _O39   109     1.44561   107.58021  -166.38292
   65    58 S   CT   _C17    50     1.56756   110.82340   -56.59002
   66    65 S   HC   _H6_    51     1.09365   109.46733   -65.06880
   67    58 S   CT   _C6_    72     1.56562   116.33760   175.09456
   68    67 S   HC   _H3_    73     1.09456   109.47253    54.01505
   69    65 S   CT   _C26    52     1.54057   112.84902    53.07913
   70    69 S   HC   _H31    53     1.09910   109.32840    72.03152
   71    69 S   HC   _H32    54     1.10034   108.29111  -173.60665
   72    65 S   CT   _C9_    58     1.53420   109.13865   177.21674
   73    72 S   HC   _H4_    59     1.10312   106.42560   -57.94290
   74    67 S   OS   _O34    74     1.44855   108.98876   -65.68032
   75    72 S   CT   _C10    60     1.52308   118.42848  -176.93343
   76    75 S   HC   _H14    61     1.09485   112.04546    78.38857
   77    75 S   HC   _H15    62     1.09583   111.52778   -42.28653
   78    74 S   CO4  _C5_    75     1.36343   117.66178   154.57077
   79    78 S   O    _O33    76     1.22296   126.53894    -0.41965
   80    75 S   CT   _C11    63     1.53439   104.18522  -161.32965
   81    80 S   HC   _H16    64     1.09492   109.03059   129.67468
   82    80 S   HC   _H17    65     1.09585   110.88709  -112.41773
   83    78 S   CT   _C4_    77     1.49868   109.36002   179.90309
   84    83 S   HC   _H9_    78     1.09295   109.85362   -59.32386
   85    83 S   HC   _H10    79     1.09373   109.36538  -178.29659
   86    83 S   HC   _H11    80     1.09289   109.83103    62.55405
   87    80 S   CT   _C12    66     1.55666   106.87682     7.73193
   88    87 S   HC   _H5_    67     1.10189   105.83025   -91.01649
   89    72 S   CT   _C8_    68     1.54828   113.32552    61.15061
   90    87 S   CO   _C13    85     1.54826   112.44418   153.51071
   91    89 S   CT   _C7_    69     1.53341   106.28844   -62.51884
   92    91 S   HC   _H12    70     1.09903   110.16073   -65.26515
   93    91 S   HC   _H13    71     1.09413   110.87256   179.11862
   94    89 S   CT   _C30    81     1.54570   114.02685    58.48584
   95    94 S   HC   _H40    82     1.09428   112.46149    61.82474
   96    94 S   HC   _H41    83     1.09312   112.83550   -58.94011
   97    94 S   HC   _H42    84     1.09505   110.81178  -177.78000
   98    90 S   OS   _O35    86     1.44656   108.18892    63.10127
   99    90 S   CT   _C16    94     1.52821   113.15539  -179.41617
  100    99 S   HC   _H22    95     1.09663   110.64977  -167.45359
  101    99 S   HC   _H23    96     1.09291   111.88335    74.18801
  102    99 S   HC   _H24    97     1.09488   111.35038   -49.12713
  103    98 S   CT   _C14    87     1.42736   105.68495  -116.98188
  104   103 S   HC   _H18    88     1.09289   110.66576  -146.54869
  105   103 S   HC   _H19    89     1.09469   108.07449    94.27710
  106   103 S   CT   _C15    90     1.50282   104.20516   -24.46095
  107   106 S   HC   _H20    91     1.09279   113.29998   155.94823
  108   106 S   HC   _H21    92     1.09523   111.73651   -80.31648
  109    90 S   OS   _O36    93     1.43590   111.62021   -56.51756
  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  18   7   6  13   6   5  15  12   7   6   8  12
   4   3   6   5   4  14   3   2   1  21   9   5   2   1   1   1
  17   8  13   6   6   2   1  18   8  10  11   6   5   6   4  11
   5   4   3   2   1   1  18   7  11  14   6   2   1   3   2   1
   1  11   6   3   2   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    54    58    69    40    41    42    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    48    49    50    54    58    59    65    69    70    71    40    41    42    67    60    61    62    63    47    64  
   35    36  
   36  
    0  
   38    39    43    44    45    46    48    54    58    69    40    41    42    60    47    51    55    64  
   39    43    44    54    40    47    64  
   43    44    54    40    47    64  
   41    42    72    60    43    48    54    58    65    66    69    70    71  
   42    54    65    69    70    71  
   54    65    69    70    71  
   44    45    46    48    49    50    54    47    51    52    53    55    56    57    64  
   45    46    48    49    50    54    58    60    47    51    55    64  
   46    48    49    50    54    47    64  
   48    49    50    54    47    64  
   51    52    53    55    56    57    64    48  
   49    50    54    58    59    65    67    60    61    62    63    64  
   50    54    58    60  
   54    58    60  
   52    53    55    56    57    64  
   53    55    56    57    64  
   55    56    57    64  
   58    59    65    66    69    72    91    67    68    74    60    61    62    63  
   56    57    64  
   57    64  
   64  
   59    65    66    69    70    71    72    73    75    89    91    92    93    67    68    74    78    60    61    62    63  
   65    66    69    72    91    67    68    74    60  
   61    62    63    65    67  
   62    63  
   63  
    0  
    0  
   66    69    70    71    72    73    75    76    77    80    87    89    91    67    68    74    94  
   69    70    71    72    73    75    89    67  
   68    74    78    79    83    94    69    72    87    89    91    92    93  
   74    78    89    91    92    93  
   70    71    72    73    75    89  
   71    72  
   72  
   73    75    76    77    80    81    82    87    88    89    91    92    93    94    95    96    97    90  
   75    76    77    80    87    89    91    94  
   78    79    83    84    85    86    89    91    92    93  
   76    77    80    81    82    87    88    89    91    94    90  
   77    80    81    82    87    89  
   80    81    82    87    89  
   79    83    84    85    86    91  
   83    84    85    86  
   81    82    87    88    89    91    94    90    98   109    99  
   82    87    88    89    90  
   87    88    89    90  
   84    85    86  
   85    86  
   86  
    0  
   88    89    91    92    93    94    95    96    97    90    98   103   106   109    99   100   101   102  
   89    91    94    90    98   109    99  
   91    92    93    94    95    96    97    90    98   109    99  
   98   103   104   105   106   107   108   109    99   100   101   102    91    94  
   92    93    94    95    96    97  
   93    94  
   94  
   95    96    97  
   96    97  
   97  
    0  
  103   104   105   106   107   108   109    99   100   101   102  
  100   101   102   103   106   109  
  101   102   109  
  102   109  
  109  
  104   105   106   107   108   109  
  105   106   107   108   109  
  106   107   108   109  
  107   108   109  
  108   109  
  109  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   90   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  109   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   250.000  1.527
   43    44   250.000  1.527
   43    47   320.000  1.380
   43    64   320.000  1.380
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    58   268.000  1.529
   54    60   268.000  1.529
   58    59   340.000  1.090
   58    65   268.000  1.529
   58    67   268.000  1.529
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    72   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   72    73   340.000  1.090
   72    75   268.000  1.529
   72    89   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   268.000  1.529
   87    88   340.000  1.090
   87    89   268.000  1.529
   87    90   250.000  1.527
   89    91   268.000  1.529
   89    94   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    67   268.000  1.529
   67    68   340.000  1.090
   67    74   320.000  1.410
   74    78   214.000  1.327
   78    79   570.000  1.229
   78    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   90    98   320.000  1.380
   90   109   320.000  1.380
   90    99   250.000  1.527
   98   103   320.000  1.410
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   320.000  1.410
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   47    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   320.000  1.410
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    54    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  109.43000
   33    54    48    58.35000  112.70000
   33    54    58    58.35000  112.70000
   33    54    60    58.35000  112.70000
   33    40    69    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   37    43    44    65.00000  112.71400
   37    43    47    90.00000  108.56700
   37    43    64    90.00000  108.56700
   39    37    38    33.00000  107.80000
   43    37    38    45.00000  108.72000
   43    37    39    45.00000  108.72000
   43    44    45    45.00000  108.72000
   43    44    46    45.00000  108.72000
   43    44    48    75.00000  109.43000
   43    47    51    60.00000  109.50000
   43    64    55    60.00000  109.50000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    54    58.35000  112.70000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    54    58    58.35000  112.70000
   48    54    60    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    33    37    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    65    58.35000  112.70000
   54    58    67    58.35000  112.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   58    65    66    37.50000  110.70000
   58    65    69    58.35000  112.70000
   58    65    72    58.35000  112.70000
   58    67    91    58.35000  112.70000
   58    67    68    37.50000  110.70000
   58    67    74    50.00000  109.50000
   65    58    59    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    40    58.35000  112.70000
   65    72    73    37.50000  110.70000
   65    72    75    58.35000  112.70000
   65    72    89    58.35000  112.70000
   69    65    66    37.50000  110.70000
   69    40    41    50.00000  109.50000
   69    40    42    37.50000  110.70000
   71    69    70    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    69    70    37.50000  110.70000
   40    69    71    37.50000  110.70000
   42    40    41    45.00000  125.66300
   72    65    66    37.50000  110.70000
   72    65    69    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    80    58.35000  112.70000
   72    89    87    58.35000  112.70000
   72    89    91    58.35000  112.70000
   72    89    94    58.35000  112.70000
   75    72    73    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    87    58.35000  112.70000
   77    75    76    33.00000  107.80000
   80    75    76    37.50000  110.70000
   80    75    77    37.50000  110.70000
   80    87    88    37.50000  110.70000
   80    87    89    58.35000  112.70000
   80    87    90    75.00000  109.43000
   82    80    81    33.00000  107.80000
   87    80    81    37.50000  110.70000
   87    80    82    37.50000  110.70000
   87    89    91    58.35000  112.70000
   87    89    94    58.35000  112.70000
   87    90    98    90.00000  108.56700
   87    90   109    90.00000  108.56700
   87    90    99    65.00000  112.71400
   89    72    73    37.50000  110.70000
   89    72    75    58.35000  112.70000
   89    87    88    37.50000  110.70000
   89    91    92    37.50000  110.70000
   89    91    93    37.50000  110.70000
   89    91    67    58.35000  112.70000
   89    94    95    37.50000  110.70000
   89    94    96    37.50000  110.70000
   89    94    97    37.50000  110.70000
   91    67    68    37.50000  110.70000
   91    67    74    50.00000  109.50000
   93    91    92    33.00000  107.80000
   67    58    59    37.50000  110.70000
   67    58    65    58.35000  112.70000
   67    91    92    37.50000  110.70000
   67    91    93    37.50000  110.70000
   67    74    78    83.00000  116.90000
   74    67    68    35.00000  109.50000
   74    78    79    83.00000  123.40000
   74    78    83    81.00000  111.40000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   83    78    79    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   94    89    91    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   90    87    88    45.00000  108.72000
   90    87    89    75.00000  109.43000
   90    98   103    60.00000  109.50000
   90   109   106    60.00000  109.50000
   90    99   100    45.00000  108.72000
   90    99   101    45.00000  108.72000
   90    99   102    45.00000  108.72000
   98   103   104    35.00000  109.50000
   98   103   105    35.00000  109.50000
   98   103   106    50.00000  109.50000
  103   106   107    37.50000  110.70000
  103   106   108    37.50000  110.70000
  103   106   109    50.00000  109.50000
  105   103   104    33.00000  107.80000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  108   106   107    33.00000  107.80000
  109    90    98    92.60000  111.55000
  109   106   107    35.00000  109.50000
  109   106   108    35.00000  109.50000
   99    90    98    90.00000  108.56700
   99    90   109    90.00000  108.56700
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   60    54    58    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
   47    43    44    90.00000  108.56700
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    55    50.00000  109.50000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    64    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   57    55    56    33.00000  107.80000
   64    43    44    90.00000  108.56700
   64    43    47    92.60000  111.55000
   64    55    56    35.00000  109.50000
   64    55    57    35.00000  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
    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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   81    80    87    90   0.15000  1.0 3.0
   82    80    87    88   0.15000  1.0 3.0
   82    80    87    89   0.15000  1.0 3.0
   82    80    87    90   0.15000  1.0 3.0
   87    89    91    92   0.15000  1.0 3.0
   87    89    91    93   0.15000  1.0 3.0
   87    89    91    67   0.56750  1.0 1.0
   87    89    91    67  -0.07550 -1.0 2.0
   87    89    91    67   0.20000  1.0 3.0
   87    89    94    95   0.15000  1.0 3.0
   87    89    94    96   0.15000  1.0 3.0
   87    89    94    97   0.15000  1.0 3.0
   87    90    98   103   0.06250  1.0 1.0
   87    90    98   103  -0.01100 -1.0 2.0
   87    90    98   103   0.28050  1.0 3.0
   87    90   109   106   0.06250  1.0 1.0
   87    90   109   106  -0.01100 -1.0 2.0
   87    90   109   106   0.28050  1.0 3.0
   87    90    99   100   0.15000  1.0 3.0
   87    90    99   101   0.15000  1.0 3.0
   87    90    99   102   0.15000  1.0 3.0
   88    87    89    72   0.15000  1.0 3.0
   88    87    89    91   0.15000  1.0 3.0
   88    87    89    94   0.15000  1.0 3.0
   88    87    90    98   0.23400  1.0 3.0
   88    87    90   109   0.23400  1.0 3.0
   88    87    90    99   0.15000  1.0 3.0
   89    72    75    76   0.15000  1.0 3.0
   89    72    75    77   0.15000  1.0 3.0
   89    72   -75    80   0.56750  1.0 1.0
   89    72   -75    80  -0.07550 -1.0 2.0
   89    72   -75    80   0.20000  1.0 3.0
   89    87    90    98   0.62750  1.0 1.0
   89    87    90    98  -0.30950 -1.0 2.0
   89    87    90    98   0.27300  1.0 3.0
   89    87    90   109   0.62750  1.0 1.0
   89    87    90   109  -0.30950 -1.0 2.0
   89    87    90   109   0.27300  1.0 3.0
   89    87    90    99   0.56750  1.0 1.0
   89    87    90    99  -0.07550 -1.0 2.0
   89    87    90    99   0.20000  1.0 3.0
   89    91   -67    58   0.56750  1.0 1.0
   89    91   -67    58  -0.07550 -1.0 2.0
   89    91   -67    58   0.20000  1.0 3.0
   89    91    67    68   0.15000  1.0 3.0
   89    91    67    74   0.62750  1.0 1.0
   89    91    67    74  -0.30950 -1.0 2.0
   89    91    67    74   0.27300  1.0 3.0
   91    89    94    95   0.15000  1.0 3.0
   91    89    94    96   0.15000  1.0 3.0
   91    89    94    97   0.15000  1.0 3.0
   91    67    74    78  -0.25900  1.0 1.0
   91    67    74    78  -0.47000 -1.0 2.0
   91    67    74    78   0.11750  1.0 3.0
   92    91    67    58   0.15000  1.0 3.0
   92    91    67    68   0.15000  1.0 3.0
   92    91    67    74   0.23400  1.0 3.0
   93    91    67    58   0.15000  1.0 3.0
   93    91    67    68   0.15000  1.0 3.0
   93    91    67    74   0.23400  1.0 3.0
   67    58    65    66   0.15000  1.0 3.0
   67    58    65    69   0.56750  1.0 1.0
   67    58    65    69  -0.07550 -1.0 2.0
   67    58    65    69   0.20000  1.0 3.0
   67    58   -65    72   0.56750  1.0 1.0
   67    58   -65    72  -0.07550 -1.0 2.0
   67    58   -65    72   0.20000  1.0 3.0
   67    74    78    79   3.00000 -1.0 2.0
   67    74    78    83   1.63150  1.0 1.0
   67    74    78    83   2.92000 -1.0 2.0
   68    67    74    78   0.08050  1.0 3.0
   74    78    83    84   0.00000  1.0 1.0
   74    78    83    85   0.00000  1.0 1.0
   74    78    83    86   0.00000  1.0 1.0
   79    78    83    84   0.00000  1.0 1.0
   79    78    83    85   0.00000  1.0 1.0
   79    78    83    86   0.00000  1.0 1.0
   94    89    91    92   0.15000  1.0 3.0
   94    89    91    93   0.15000  1.0 3.0
   94    89    91    67   0.56750  1.0 1.0
   94    89    91    67  -0.07550 -1.0 2.0
   94    89    91    67   0.20000  1.0 3.0
   90    87    89    72   3.97050  1.0 1.0
   90    87    89    91   3.97050  1.0 1.0
   90    87    89    94   3.97050  1.0 1.0
   90    98   103   104   0.37050  1.0 3.0
   90    98   103   105   0.37050  1.0 3.0
   90    98  -103   106   0.06250  1.0 1.0
   90    98  -103   106  -0.01100 -1.0 2.0
   90    98  -103   106   0.28050  1.0 3.0
   98    90  -109   106  -0.53350  1.0 1.0
   98    90  -109   106  -0.78350 -1.0 2.0
   98    90  -109   106   0.33750  1.0 3.0
   98    90    99   100   0.23400  1.0 3.0
   98    90    99   101   0.23400  1.0 3.0
   98    90    99   102   0.23400  1.0 3.0
   98   103   106   107   0.23400  1.0 3.0
   98   103   106   108   0.23400  1.0 3.0
   98   103  -106   109   1.11900  1.0 1.0
   98   103  -106   109  -1.16350 -1.0 2.0
   98   103  -106   109  -0.34150  1.0 3.0
  103   106  -109    90   0.06250  1.0 1.0
  103   106  -109    90  -0.01100 -1.0 2.0
  103   106  -109    90   0.28050  1.0 3.0
  104   103   106   107   0.15000  1.0 3.0
  104   103   106   108   0.15000  1.0 3.0
  104   103   106   109   0.23400  1.0 3.0
  105   103   106   107   0.15000  1.0 3.0
  105   103   106   108   0.15000  1.0 3.0
  105   103   106   109   0.23400  1.0 3.0
  107   106   109    90   0.37050  1.0 3.0
  108   106   109    90   0.37050  1.0 3.0
  109    90   -98   103  -0.53350  1.0 1.0
  109    90   -98   103  -0.78350 -1.0 2.0
  109    90   -98   103   0.33750  1.0 3.0
  109    90    99   100   0.23400  1.0 3.0
  109    90    99   101   0.23400  1.0 3.0
  109    90    99   102   0.23400  1.0 3.0
   99    90    98   103   0.06250  1.0 1.0
   99    90    98   103  -0.01100 -1.0 2.0
   99    90    98   103   0.28050  1.0 3.0
   99    90   109   106   0.06250  1.0 1.0
   99    90   109   106  -0.01100 -1.0 2.0
   99    90   109   106   0.28050  1.0 3.0
   60    54    58    59   0.15000  1.0 3.0
   60    54    58    65   0.56750  1.0 1.0
   60    54    58    65  -0.07550 -1.0 2.0
   60    54    58    65   0.20000  1.0 3.0
   60    54    58    67   0.56750  1.0 1.0
   60    54    58    67  -0.07550 -1.0 2.0
   60    54    58    67   0.20000  1.0 3.0
   47    43    44    45   0.23400  1.0 3.0
   47    43    44    46   0.23400  1.0 3.0
   47    43    44    48   0.62750  1.0 1.0
   47    43    44    48  -0.30950 -1.0 2.0
   47    43    44    48   0.27300  1.0 3.0
   47    43   -64    55  -0.53350  1.0 1.0
   47    43   -64    55  -0.78350 -1.0 2.0
   47    43   -64    55   0.33750  1.0 3.0
   47    51    55    56   0.23400  1.0 3.0
   47    51    55    57   0.23400  1.0 3.0
   47    51   -55    64   1.11900  1.0 1.0
   47    51   -55    64  -1.16350 -1.0 2.0
   47    51   -55    64  -0.34150  1.0 3.0
   51    55   -64    43   0.06250  1.0 1.0
   51    55   -64    43  -0.01100 -1.0 2.0
   51    55   -64    43   0.28050  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    64   0.23400  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    64   0.23400  1.0 3.0
   56    55    64    43   0.37050  1.0 3.0
   57    55    64    43   0.37050  1.0 3.0
   64    43    44    45   0.23400  1.0 3.0
   64    43    44    46   0.23400  1.0 3.0
   64    43    44    48   0.62750  1.0 1.0
   64    43    44    48  -0.30950 -1.0 2.0
   64    43    44    48   0.27300  1.0 3.0
   64    43   -47    51  -0.53350  1.0 1.0
   64    43   -47    51  -0.78350 -1.0 2.0
   64    43   -47    51   0.33750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   74    83    78    79  10.50000 -1.0 2.0
END
