* LIGAND DATABASE FILE (OPLS2005)
*
001     113   115    207    318     597
    1     0 S   NP   _N1_     1    29.14964    94.94902   -17.66262
    2     1 S   H    _HN1     2     1.02777    65.62539   -93.90095
    3     1 S   H    _H1_     3     1.02960    97.71374    12.79993
    4     1 S   H    _H2_     4     1.02837    48.91015   118.66776
    5     1 S   CT   _CA1     5     1.50109   150.17266   173.45342
    6     5 S   HC   _HA1     6     1.09569   105.25414    17.89870
    7     5 S   CO3  _C1_     7     1.53852   112.44343  -102.36549
    8     7 S   O2Z  _O11     8     1.26363   114.97745   -41.78592
    9     7 S   O2Z  _O12     9     1.26242   114.97095   137.48463
   10     5 S   CT   _CB1    10     1.53114   107.44437   135.91724
   11    10 S   HC   HB11    11     1.09811   109.50327   -49.88001
   12    10 S   HC   HB12    12     1.09817   110.36272    66.76059
   13    10 S   CT   _CG1    13     1.52914   112.52435  -170.97324
   14    13 S   HC   HG11    14     1.09536   110.31360   -60.63484
   15    13 S   HC   HG12    15     1.09641   110.12462    58.36523
   16    13 S   C    _CD1    16     1.51806   112.43979   178.68597
   17    16 S   O    _OE1    17     1.22683   123.35038   -10.85339
   18    16 S   N    _N2_    18     1.38463   111.35977   169.86789
   19    18 S   H    _HN2    19     1.01439   118.70567     1.03703
   20    18 S   CT1  _CA2    20     1.46061   124.01631  -178.99148
   21    20 S   HC   _HA2    21     1.09716   109.35119   -15.82363
   22    20 S   C    _C2_    22     1.53489   107.93860  -131.53467
   23    22 S   O    _O2_    23     1.23009   122.30028  -146.66175
   24    20 S   CT   _CB2    32     1.53427   111.43001   106.67086
   25    24 S   HC   HB21    33     1.09450   110.04204    55.10305
   26    24 S   HC   HB22    34     1.09530   110.39043   172.89389
   27    22 S   N    _N3_    24     1.38529   113.38479    40.58246
   28    27 S   H    _HN3    25     1.01528   118.89748    -0.36904
   29    24 S   S    _SG2    35     1.82885   111.97109   -68.71584
   30    27 S   CT   _CA3    26     1.45441   123.48698   175.66808
   31    30 S   HC   HA31    27     1.09522   109.24830    23.79286
   32    30 S   HC   HA32    28     1.09499   107.09604   140.74834
   33    29 S   CT   _C13    36     1.84344   100.75686   132.42451
   34    33 S   HC   _H4_    37     1.09683   102.75646    40.96175
   35    30 S   CO3  _C3_    29     1.52904   113.12666   -99.73101
   36    35 S   O2Z  _O31    30     1.26403   115.40829   -44.28837
   37    35 S   O2Z  _O32    31     1.26355   114.97818   136.64511
   38    33 S   CM   _C11    38     1.53294   110.77221   -76.34803
   39    33 S   CM   _C14    64     1.54040   112.78168   155.64538
   40    38 S   CM   _C10    39     1.35184   119.31432   113.04545
   41    40 S   HC   _H19    40     1.09008   117.73252     0.45413
   42    38 S   CT   _C12    60     1.50863   117.64800   -69.42200
   43    42 S   HC   _H20    61     1.09433   110.33828   -65.63893
   44    42 S   HC   _H21    62     1.09156   113.50416   175.02846
   45    42 S   HC   _H22    63     1.09360   111.12599    54.93687
   46    39 S   CMA  _C15    65     1.37083   122.57294  -143.95524
   47    46 S   OM   _O39    66     1.26322   128.13981   178.40455
   48    39 S   CT   _C34   110     1.52195   117.37503    34.52260
   49    48 S   HC   _H38   111     1.09494   110.41725   -77.38156
   50    48 S   HC   _H39   112     1.09348   111.44883    43.43439
   51    48 S   HC   _H40   113     1.09483   112.98812   162.44854
   52    40 S   CT   _C8_    41     1.51310   128.07626   179.16608
   53    52 S   HC   _H3_    42     1.09512   110.43079    28.00082
   54    46 S   NE   _N4_    67     1.40212   120.03514    -5.33759
   55    54 S   H    _H23    68     1.01576   113.14495   -24.06508
   56    52 S   CT   _C9_    43     1.53070   109.40831   -91.12792
   57    56 S   HC   _H16    44     1.09583   111.53282   -61.65918
   58    56 S   HC   _H17    45     1.09539   110.69982   178.23664
   59    56 S   HC   _H18    46     1.09572   111.14725    58.79205
   60    52 S   CT   _C7_    47     1.54461   112.02778   147.02206
   61    60 S   HC   _H14    48     1.09782   108.79966   176.54713
   62    60 S   HC   _H15    49     1.09806   110.03300    60.18120
   63    54 S   CM   _C16    69     1.39126   135.33644   156.77013
   64    60 S   CT   _C6_    50     1.53169   113.14489   -62.44911
   65    64 S   HC   _H12    51     1.09642   109.45489   -55.02539
   66    64 S   HC   _H13    52     1.09554   109.87710    62.89112
   67    63 S   CM   _C17    70     1.34746   128.06061   -14.76049
   68    67 S   HC   _H24    71     1.08836   118.07812    -0.52265
   69    64 S   CT   _C5_    53     1.52832   111.56251  -176.18515
   70    69 S   HC   _H10    54     1.09616   109.94016   -57.32148
   71    69 S   HC   _H11    55     1.09612   109.85631    60.51213
   72    67 S   CT   _C18    72     1.51715   127.54872   178.82563
   73    69 S   CT   _C4_    56     1.52070   111.29766  -178.37804
   74    73 S   HC   _H7_    57     1.09473   111.07445   -59.10955
   75    73 S   HC   _H8_    58     1.09457   110.88673    61.38128
   76    73 S   HC   _H9_    59     1.09440   110.29277  -178.99089
   77    72 S   C3T  _C19    73     1.50566   114.02822    11.30005
   78    77 S   HC   _H5_    74     1.08127   114.97465  -164.87309
   79    72 S   CM   _C22    80     1.52294   108.10960  -117.08103
   80    79 S   HC   _H25    81     1.09025   115.32975   -74.02212
   81    72 S   OH   _O38   108     1.43666   107.95046   128.50710
   82    81 S   HO   _H37   109     0.97224   108.69418    44.67542
   83    77 S   C3T  _C20    75     1.49463   118.83419   -11.07935
   84    83 S   HC   _H6_    76     1.08370   117.17641  -148.61080
   85    79 S   CM   _C23    82     1.34355   126.34722   105.06439
   86    85 S   HC   _H26    83     1.08650   120.22474    -0.32143
   87    63 S   CO4  _C21    77     1.50503   113.46784   167.95749
   88    87 S   O    _O33    78     1.22671   121.69698    -4.46353
   89    77 S   O3T  _O34    79     1.43761   115.89065    55.81561
   90    85 S   CM   _C24    84     1.44682   122.96084  -179.69353
   91    90 S   HC   _H27    85     1.08790   117.04668    -0.05595
   92    90 S   CM   _C25    86     1.34174   123.00180   179.93439
   93    92 S   HC   _H28    87     1.08785   119.95673    -0.02798
   94    92 S   CM   _C26    88     1.44706   122.96923   179.96044
   95    94 S   HC   _H29    89     1.08756   116.86270     0.11014
   96    94 S   CM   _C27    90     1.34049   122.75180  -179.88465
   97    96 S   HC   _H30    91     1.08486   121.45683    -0.02798
   98    96 S   C    _C28    92     1.48835   120.03212   179.95154
   99    98 S   O    _O35    93     1.22620   122.66229    -0.30774
  100    98 S   N    _N5_    94     1.38316   112.06068   179.78694
  101   100 S   H    _H31    95     1.01571   119.86210    -0.35222
  102   100 S   CT1  _C29    96     1.44278   121.93075  -179.28290
  103   102 S   HC   _H32    97     1.09354   112.60290   -30.61628
  104   102 S   CO4  _C30    98     1.51026   110.76641  -154.45093
  105   104 S   O    _O36    99     1.22390   124.77156    50.48011
  106   104 S   CT   _C31   100     1.50867   111.25542  -131.53293
  107   106 S   HC   _H33   101     1.09283   110.91990   140.35746
  108   106 S   HC   _H34   102     1.09426   108.58871   -98.70209
  109   106 S   CT   _C32   103     1.52915   104.94038    19.90916
  110   109 S   HC   _H35   104     1.09281   111.41403  -137.75501
  111   109 S   HC   _H36   105     1.09444   110.57174    99.62164
  112   102 S   CO4  _C33   106     1.51309   110.32734    92.23609
  113   112 S   O    _O37   107     1.22438   124.82237   -56.80190
  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   8   5   4   3
  17   6   2   1   1  13  11  15   5   4   2   1   1  10   4   4
   2   1   1  12   8   8   3   7   3   2   1   9   5   4  11   9
   5   4  13   5   6   5   4  13   3   2   1   1  11   6  10   4
   4   1   4   3   6   3   2   1   1   6   3   6   3   6   3   6
   3   7   3   9   4  11   6   9   5   7   5   4   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    42    39    46    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    52    42    43    44    45    39    46    47    54    48    49    50    51  
   38    40    42    39    46    48  
   36    37  
   37  
    0  
   40    41    52    53    56    60    42    43    44    45    39    46    48  
   46    47    54    55    63    48    49    50    51    40    42  
   41    52    53    56    57    58    59    60    61    62    64    42    43    44    45  
   52    53    56    60    42  
   43    44    45    52  
   44    45  
   45  
    0  
   47    54    55    63    67    87    48    49    50    51  
   54    55    63    48  
   49    50    51    54  
   50    51  
   51  
    0  
   53    56    57    58    59    60    61    62    64    65    66    69  
   56    57    58    59    60    61    62    64  
   55    63    67    68    72    83    87    88  
   63    67    87  
   57    58    59    60    61    62    64  
   58    59    60  
   59    60  
   60  
   61    62    64    65    66    69    70    71    73  
   62    64    65    66    69  
   64    65    66    69  
   67    68    72    77    83    84    87    88    89    79    81  
   65    66    69    70    71    73    74    75    76  
   66    69    70    71    73  
   69    70    71    73  
   68    72    77    78    83    87    88    89    79    80    85    81    82  
   72    77    87    79    81  
   70    71    73    74    75    76  
   71    73    74    75    76  
   73    74    75    76  
   77    78    83    84    87    89    79    80    85    86    90    81    82  
   74    75    76  
   75    76  
   76  
    0  
   78    83    84    87    88    89    79    80    85    81    82  
   83    84    87    89    79    81  
   80    85    86    90    91    92    81    82    83    89  
   85    86    90    81  
   82    83    85    89  
    0  
   84    87    88    89  
   87    88    89  
   86    90    91    92    93    94  
   90    91    92  
   88    89  
   89  
    0  
   91    92    93    94    95    96  
   92    93    94  
   93    94    95    96    97    98  
   94    95    96  
   95    96    97    98    99   100  
   96    97    98  
   97    98    99   100   101   102  
   98    99   100  
   99   100   101   102   103   104   112  
  100   101   102  
  101   102   103   104   105   106   109   112   113  
  102   103   104   112  
  103   104   105   106   107   108   109   110   111   112   113  
  104   105   106   109   112   113  
  105   106   107   108   109   110   111   112   113  
  106   107   108   109   112  
  107   108   109   110   111   112   113  
  108   109   110   111   112  
  109   110   111   112  
  110   111   112   113  
  111   112   113  
  112   113  
  113  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.2500   0.1700  -0.894200   1.8650   1.6500   0.051222218  -2.220205820
   55   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   89   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   90   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   93   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  100   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  101   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  102   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  106   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    40   549.000  1.340
   38    42   317.000  1.510
   40    41   340.000  1.080
   40    52   317.000  1.510
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    60   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   39    46   465.000  1.376
   39    48   317.000  1.510
   46    47   745.000  1.250
   46    54   415.000  1.382
   54    55   434.000  1.010
   54    63   425.000  1.378
   63    67   549.000  1.340
   63    87   320.000  1.462
   67    68   340.000  1.080
   67    72   317.000  1.510
   72    77   275.000  1.510
   72    79   317.000  1.510
   72    81   320.000  1.410
   77    78   340.000  1.088
   77    83   260.000  1.509
   77    89   335.000  1.432
   83    84   340.000  1.088
   83    87   290.000  1.496
   83    89   335.000  1.432
   87    88   570.000  1.229
   79    80   340.000  1.080
   79    85   549.000  1.340
   85    86   340.000  1.080
   85    90   380.000  1.444
   90    91   340.000  1.080
   90    92   549.000  1.340
   92    93   340.000  1.080
   92    94   380.000  1.444
   94    95   340.000  1.080
   94    96   549.000  1.340
   96    97   340.000  1.080
   96    98   410.000  1.444
   98    99   570.000  1.229
   98   100   490.000  1.335
  100   101   434.000  1.010
  100   102   337.000  1.449
  102   103   340.000  1.090
  102   104   255.000  1.522
  102   112   255.000  1.522
  104   105   570.000  1.229
  104   106   317.000  1.522
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   317.000  1.522
  112   113   570.000  1.229
   81    82   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  124.00000
   33    38    42    65.00000  117.92700
   33    39    46    70.00000  124.00000
   33    39    48    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    52    70.00000  124.00000
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    45    35.00000  109.50000
   40    52    53    35.00000  109.50000
   40    52    56    70.00000  112.02700
   40    52    60    70.00000  112.02700
   52    40    41    35.00000  117.00000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    59    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    64    58.35000  112.70000
   56    52    53    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    56    58.35000  112.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    69    58.35000  112.70000
   62    60    61    33.00000  107.80000
   64    60    61    37.50000  110.70000
   64    60    62    37.50000  110.70000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    73    58.35000  112.70000
   66    64    65    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    76    37.50000  110.70000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   42    38    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    46    47    65.00000  137.10300
   39    46    54    75.00000  114.40000
   39    48    49    35.00000  109.50000
   39    48    50    35.00000  109.50000
   39    48    51    35.00000  109.50000
   46    54    55    50.00000  121.48000
   46    54    63    75.00000  118.45600
   54    46    47   105.00000  113.92000
   54    63    67    70.00000  124.03900
   54    63    87    70.00000  117.92000
   63    54    55    35.00000  114.50000
   63    67    68    35.00000  120.00000
   63    67    72    70.00000  124.00000
   63    87    83    65.00000  118.62400
   63    87    88    80.00000  123.72100
   67    72    77    70.00000  112.02700
   67    72    79    70.00000  110.12100
   67    72    81    90.00000  110.39200
   72    67    68    35.00000  117.00000
   72    77    78    40.00000  115.04500
   72    77    83    60.00000  120.94000
   72    77    89    80.00000  116.47100
   72    79    80    35.00000  117.00000
   72    79    85    70.00000  124.00000
   72    81    82    55.00000  108.50000
   77    83    84    37.50000  117.20000
   77    83    87    65.00000  117.18000
   77    83    89    15.00000   60.43100
   77    89    83    15.00000   59.14900
   83    77    78    37.50000  117.20000
   83    87    88    75.00000  121.36600
   87    63    67    65.00000  118.96000
   87    83    84    40.00000  116.18000
   89    77    78    50.00000  114.27700
   89    77    83    15.00000   60.43100
   89    83    84    50.00000  114.27700
   89    83    87    80.00000  114.91000
   79    72    77    70.00000  112.02700
   79    85    86    35.00000  120.00000
   79    85    90    70.00000  123.01800
   85    79    80    35.00000  120.00000
   85    90    91    35.00000  120.00000
   85    90    92    70.00000  123.01800
   90    85    86    35.00000  120.00000
   90    92    93    35.00000  120.00000
   90    92    94    70.00000  123.01800
   92    90    91    35.00000  120.00000
   92    94    95    35.00000  120.00000
   92    94    96    70.00000  123.01800
   94    92    93    35.00000  120.00000
   94    96    97    35.00000  120.00000
   94    96    98    70.00000  118.70000
   96    94    95    35.00000  120.00000
   96    98    99    80.00000  125.30000
   96    98   100    80.00000  111.56200
   98    96    97    35.00000  119.70000
   98   100   101    35.00000  119.80000
   98   100   102    50.00000  121.90000
  100    98    99    80.00000  122.90000
  100   102   103    35.00000  109.50000
  100   102   104    80.00000  110.29000
  100   102   112    80.00000  110.29000
  102   100   101    38.00000  118.40000
  102   104   105    75.00000  123.42600
  102   104   106    65.00000  117.09000
  102   112   109    65.00000  117.09000
  102   112   113    75.00000  123.42600
  104   102   103    45.00000  110.09800
  104   106   107    35.00000  109.50000
  104   106   108    35.00000  109.50000
  104   106   109    63.00000  111.10000
  106   104   105    80.00000  120.40000
  106   109   110    37.50000  110.70000
  106   109   111    37.50000  110.70000
  106   109   112    63.00000  111.10000
  108   106   107    33.00000  107.80000
  109   106   107    37.50000  110.70000
  109   106   108    37.50000  110.70000
  109   112   113    80.00000  120.40000
  111   109   110    33.00000  107.80000
  112   102   103    45.00000  110.09800
  112   102   104    65.00000  112.16000
  112   109   110    35.00000  109.50000
  112   109   111    35.00000  109.50000
   81    72    77    50.00000  109.50000
   81    72    79    90.00000  110.39200
   48    39    46    70.00000  124.00000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
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   81    72    77    83   0.86500  1.0 1.0
   81    72    77    83  -0.17500 -1.0 2.0
   81    72    77    83   0.20800  1.0 3.0
   81    72    77    89   3.69350  1.0 1.0
   81    72    77    89  -1.82950 -1.0 2.0
   81    72    79    80   0.00000  1.0 1.0
   81    72    79    85   0.67800  1.0 1.0
   81    72    79    85   0.47050 -1.0 2.0
   81    72    79    85  -0.62500  1.0 3.0
   48    39    46    47   7.00000 -1.0 2.0
   48    39    46    54   7.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    40  15.00000 -1.0 2.0
   52    41    40    38  15.00000 -1.0 2.0
   33    48    39    46  15.00000 -1.0 2.0
   54    47    46    39  15.00000 -1.0 2.0
   55    46    54    63   1.00000 -1.0 2.0
   54    87    63    67   1.10000 -1.0 2.0
   72    68    67    63   1.10000 -1.0 2.0
   63    83    87    88  10.50000 -1.0 2.0
   72    80    79    85  15.00000 -1.0 2.0
   90    86    85    79  15.00000 -1.0 2.0
   85    91    90    92  15.00000 -1.0 2.0
   94    93    92    90  15.00000 -1.0 2.0
   92    95    94    96  15.00000 -1.0 2.0
   98    97    96    94  15.00000 -1.0 2.0
   96   100    98    99  10.50000 -1.0 2.0
  101    98   100   102   1.00000 -1.0 2.0
  102   106   104   105  10.50000 -1.0 2.0
  102   109   112   113  10.50000 -1.0 2.0
END
