* LIGAND DATABASE FILE (OPLS2005)
*
001     114   123    229    380     673
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02082    33.42644   179.39802
    3     1 S   H    _H1_     3     1.02066    94.01982   -62.23986
    4     1 S   H    _H2_     4     1.02000    86.23752    46.29298
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.67486    58.67070
   26    24 S   HC   HB22    34     1.08491   110.07674   179.26272
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C33    36     1.90292    95.38765  -178.11104
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CR3  _C13    37     1.52666   106.86005    59.98294
   38    33 S   CM   _C22    61     1.52302   107.84046  -176.26461
   39    37 S   CA   _C11    38     1.40190   121.48786  -114.80032
   40    38 S   CMA  _C23    62     1.35675   109.61873    93.63432
   41    40 S   OM   _O39    63     1.26119   134.45050  -172.97976
   42    39 S   CA   _C5_    39     1.40373   120.62334   176.88819
   43    42 S   HA   _H48    40     1.08676   120.21724  -179.13295
   44    40 S   CT   _C35    64     1.55950   110.31943     7.23025
   45    42 S   CA   _C8_    41     1.39255   120.55093     0.54823
   46    45 S   HA   _H51    42     1.08653   119.72507  -179.77445
   47    44 S   CT   _C27    65     1.59855   112.40537   133.58457
   48    47 S   HC   _H59    66     1.09553   112.68377   -28.25215
   49    47 S   HC   _H60    67     1.09156   112.60354  -148.30239
   50    33 S   NT   _N38   103     1.50596   106.60867   -64.53226
   51    45 S   CA   _C18    43     1.38921   119.73762    -0.51396
   52    47 S   CT   _C30    68     1.53712   105.24636    93.71296
   53    52 S   HC   _H65    69     1.09772   107.94826   -78.99075
   54    50 S   CT   _C28   104     1.46873   112.79181   143.95586
   55    54 S   HC   _H61   105     1.09325   110.30556  -173.25145
   56    54 S   HC   _H62   106     1.09745   111.28455    66.38058
   57    37 S   CA   _C16    44     1.40485   120.90320    62.78581
   58    52 S   CT   _C31    70     1.55276   120.75096   156.25453
   59    58 S   HC   _H66    71     1.09714   107.82382    61.36841
   60    52 S   CT   _C34    83     1.51507   102.61592    37.80343
   61    39 S   CT   _C24   107     1.49588   119.33149    -0.54357
   62    61 S   HC   _H53   108     1.09609   109.15511    91.92397
   63    61 S   HC   _H54   109     1.09710   110.20185  -149.96337
   64    51 S   OS   _O43   110     1.36106   119.41010  -178.70155
   65    57 S   OS   _O40    45     1.37528   120.20725    -1.21354
   66    58 S   CT   _C25    72     1.57013   114.12302   -58.47817
   67    66 S   HC   _H55    73     1.09350   111.96720  -156.72405
   68    66 S   HC   _H56    74     1.09841   106.80396    87.37758
   69    60 S   CT   _C26    84     1.52676   110.05299  -166.45965
   70    69 S   HC   _H57    85     1.09654   111.59987  -175.45162
   71    69 S   HC   _H58    86     1.09848   109.20911    66.70855
   72    58 S   NT   _N37    90     1.48933   105.10124   176.00526
   73    44 S   CT   _C32    95     1.60057   111.12553  -110.92580
   74    73 S   HC   _H67    96     1.09634   111.58439     5.06941
   75    64 S   CT   _C37   111     1.42655   117.08503    89.35719
   76    75 S   HC   _H71   112     1.09304   109.50587  -179.96044
   77    75 S   HC   _H72   113     1.09362   109.47601    59.29314
   78    75 S   HC   _H73   114     1.09186   109.00679   -60.31756
   79    65 S   CA   _C15    46     1.37535   113.74992    74.17988
   80    66 S   CA   _C12    75     1.50657   114.87740   -30.90996
   81    69 S   CT   _C29    87     1.54370   111.04842   -53.15716
   82    81 S   HC   _H63    88     1.09660   107.72755   165.70531
   83    81 S   HC   _H64    89     1.09742   109.53150   -79.06900
   84    72 S   CT   _C36    91     1.45858   113.57065  -168.56651
   85    84 S   HC   _H68    92     1.09321   110.05887    48.98879
   86    84 S   HC   _H69    93     1.09266   110.20571   -71.04120
   87    84 S   HC   _H70    94     1.09346   110.18857   168.93416
   88   100 S   OS   _O41    97     1.37145   126.84639   169.42703
   89    79 S   CA   _C10    47     1.40912   123.75935   -63.09974
   90    80 S   CA   _C6_    76     1.39473   124.10568   175.05030
   91    90 S   HA   _H49    77     1.08601   120.44501     9.45762
   92    89 S   CA   _C4_    48     1.41110   115.30974   176.19718
   93    92 S   HA   _H47    49     1.08612   121.85810  -175.16398
   94    90 S   CA   _C9_    78     1.41101   120.09115  -167.50544
   95    94 S   HA   _H52    79     1.08740   118.97477   179.03086
   96    92 S   CA   _C7_    50     1.40163   122.60020     3.84654
   97    96 S   HA   _H50    51     1.08688   119.39711   179.39413
   98    94 S   CA   _C19    80     1.40165   121.02232     2.93091
   99    96 S   CA   _C20    52     1.38509   120.21866    -0.81325
  100    98 S   CA   _C17    81     1.37628   117.46422    -2.84586
  101    98 S   OS   _O44    98     1.35611   120.83684   174.39045
  102    79 S   CA   _C21    53     1.40542   114.03685   117.96535
  103    99 S   OS   _O45    56     1.36052   119.84999   179.48036
  104    80 S   CR3  _C14    82     1.38105   118.15863     4.28898
  105   101 S   CT   _C38    99     1.42909   117.27379     2.89306
  106   105 S   HC   _H74   100     1.09214   109.53480  -179.95154
  107   105 S   HC   _H75   101     1.09286   109.53588    59.14630
  108   105 S   HC   _H76   102     1.09278   108.98210   -60.40822
  109   102 S   OH   _O42    54     1.36623   120.26465     1.44780
  110   109 S   HO   _H80    55     0.96967   109.97905   180.00000
  111   103 S   CT   _C39    57     1.42713   117.08483    -0.86818
  112   111 S   HC   _H77    58     1.09196   109.53631   179.97202
  113   111 S   HC   _H78    59     1.09367   109.52579    59.16973
  114   111 S   HC   _H79    60     1.09210   109.00664   -60.38533
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   2   1   1  18  16  14  15   5  10   4  19   7   3  16   7
   6  13   8  19   8   6   4   3   7  18   8  16   2   1   1   5
   6  11   5   4  13   7   6   8   7   3   3   2   1   1   9   8
   7   2   1   3   2   1   1   5   7   7   4   6   3   6   3   6
   3   7   8   3   5   4   5   1   3   2   1   1   1   1   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    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    57    89    38    40    44    50    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    42    51    57    65    79    89    92    38    40    41    44    47    73    50    54    55    56    61  
   35    36  
   36  
    0  
   39    42    43    45    51    57    65    79    89    38    40    44    50    54    61    62    63    64  
   40    41    44    47    73    50    54    39    57    65    79    89    92    93    96   102  
   42    43    45    46    51    57    65    50    54    55    56    61    62    63  
   41    44    47    48    49    52    60    73    74    88    50    54    79    89    92  
   44    47    73    50    89  
   43    45    46    51    57    54    61    62    63    64  
   45    46    51    61  
   47    48    49    52    53    58   100   104    60    69    73    74    88    50    54    55    56    61    89  
   46    51    57    65    61    64    75  
   51    57    64  
   48    49    52    53    58    59    66   104    60    69    72    73    74    88    50    54  
   49    52    53    58    60    73    50  
   52    53    58    60    73    50  
   54    55    56    61    62    63    52    57    60    73    74    88    89  
   57    65    79    64    75    76    77    78  
   53    58    59    66    67    68    80   100   104    60    69    70    71    81    72    84    73    74    88  
   58    59    66   104    60    69    72    73  
   55    56    61    62    63    73  
   56    61    62    63  
   61    62    63  
   65    79    89   102    61    64    75  
   59    66    67    68    80    90   104    60    69    81    82    83    72    84    85    86    87    73  
   66    67    68    80    60    81    72    84  
   69    70    71    81    82    83    72    73    74    88    66    80    90    98   100   104  
   62    63  
   63  
    0  
   75    76    77    78    65  
   79    89    92    99   102   109  
   67    68    80    90    91    94   100   104    81    72    84  
   68    80    90   104    72  
   80    90   104    72  
   70    71    81    82    83    72    84    73    74    88    80   100   104  
   71    81    82    83    72    73   104  
   81    82    83    72    73   104  
   84    85    86    87    80    81    82    83  
   74    88    80    81    98   100   104  
   88   100   104  
   76    77    78  
   77    78  
   78  
    0  
   89    92    93    96    99   102   109   110   103  
   90    91    94    95    98   100   104    88  
   82    83    84    85    86    87   104  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    0  
  101    94    98   100   104  
   92    93    96    97    99   102   109  
   91    94    95    98   100   104   101  
   94    95    98   104  
   93    96    97    99   102   103  
   96    97    99  
   95    98   100   104   101   105  
   98   100   101  
   97    99   102   109   103   111  
   99   102   103  
  100   104   101   105   106   107   108  
  102   109   110   103   111   112   113   114  
  104   101   105  
  105   106   107   108   104  
  109   110   103   111  
  111   112   113   114   109  
    0  
  106   107   108  
  107   108  
  108  
    0  
  110  
    0  
  112   113   114  
  113   114  
  114  
    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   0.492500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   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   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   94   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   96   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   98   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   99   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
  100   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
  101   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  102   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  103   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  104   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
  105   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  110   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
  111   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   317.000  1.510
   33    50   382.000  1.448
   37    39   490.000  1.398
   37    57   490.000  1.398
   39    42   469.000  1.400
   39    61   317.000  1.510
   42    43   367.000  1.080
   42    45   469.000  1.400
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    57   469.000  1.400
   51    64   450.000  1.364
   57    65   450.000  1.364
   65    79   450.000  1.364
   79    89   469.000  1.400
   79   102   469.000  1.400
   89    92   469.000  1.400
   89    38   320.000  1.460
   92    93   367.000  1.080
   92    96   469.000  1.400
   96    97   367.000  1.080
   96    99   469.000  1.400
   99   102   469.000  1.400
   99   103   450.000  1.364
  102   109   450.000  1.364
  109   110   553.000  0.945
  103   111   320.000  1.410
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    44   270.000  1.512
   44    47   268.000  1.529
   44    73   268.000  1.529
   44    50   382.000  1.448
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    60   268.000  1.529
   58    59   340.000  1.090
   58    66   268.000  1.529
   58    72   382.000  1.448
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    80   317.000  1.510
   80    90   469.000  1.400
   80   104   490.000  1.398
   90    91   367.000  1.080
   90    94   469.000  1.400
   94    95   367.000  1.080
   94    98   469.000  1.400
   98   100   469.000  1.400
   98   101   450.000  1.364
  100   104   490.000  1.398
  100    88   450.000  1.364
  104    60   317.000  1.510
   60    69   268.000  1.529
   60    73   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    72   382.000  1.448
   72    84   382.000  1.448
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   73    74   340.000  1.090
   73    88   320.000  1.410
  101   105   320.000  1.410
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   50    54   382.000  1.448
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   64    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    50    85.00000  109.00000
   33    37    39    70.00000  120.00000
   33    37    57    70.00000  120.00000
   33    38    89    65.00000  118.87000
   33    38    40    70.00000  124.00000
   33    50    44    51.80000  107.20000
   33    50    54    51.80000  107.20000
   37    39    42    70.00000  112.88000
   37    39    61    80.00000  105.07000
   37    57    51    70.00000  112.88000
   37    57    65    70.00000  120.00000
   39    42    43    35.00000  120.00000
   39    42    45    63.00000  120.00000
   39    61    54    70.00000  112.17500
   39    61    62    35.00000  109.50000
   39    61    63    35.00000  109.50000
   42    45    46    35.00000  120.00000
   42    45    51    63.00000  120.00000
   45    42    43    35.00000  120.00000
   45    51    57    63.00000  120.00000
   45    51    64    70.00000  120.00000
   51    45    46    35.00000  120.00000
   51    57    65    70.00000  120.00000
   51    64    75    75.00000  111.00000
   57    37    39    60.00000  130.80000
   57    65    79    85.00000  114.70000
   65    79    89    70.00000  120.00000
   65    79   102    70.00000  120.00000
   79    89    92    63.00000  120.00000
   79    89    38    60.00000  120.93500
   79   102    99    63.00000  120.00000
   79   102   109    70.00000  120.00000
   89    92    93    35.00000  120.00000
   89    92    96    63.00000  120.00000
   89    38    40    60.00000  123.20500
   92    96    97    35.00000  120.00000
   92    96    99    63.00000  120.00000
   96    92    93    35.00000  120.00000
   96    99   102    63.00000  120.00000
   96    99   103    70.00000  120.00000
   99    96    97    35.00000  120.00000
   99   102   109    70.00000  120.00000
   99   103   111    75.00000  111.00000
  102    79    89    63.00000  120.00000
  102   109   110    35.00000  113.00000
  103    99   102    70.00000  120.00000
  103   111   112    35.00000  109.50000
  103   111   113    35.00000  109.50000
  103   111   114    35.00000  109.50000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   38    33    37    70.00000  112.99600
   38    89    92    60.00000  120.93500
   38    40    41    65.00000  137.10300
   38    40    44    65.00000  122.18000
   40    44    47    70.00000  112.02700
   40    44    73    70.00000  112.02700
   40    44    50    75.00000  110.70900
   44    40    41    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    52    58.35000  112.70000
   44    73    60    58.35000  112.70000
   44    73    74    37.50000  110.70000
   44    73    88    50.00000  109.50000
   44    50    54    51.80000  107.20000
   47    52    53    37.50000  110.70000
   47    52    58    58.35000  112.70000
   47    52    60    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    66    58.35000  112.70000
   52    58    72    56.20000  109.47000
   52    60   104    70.00000  112.17500
   52    60    69    58.35000  112.70000
   52    60    73    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    80    70.00000  112.17500
   58    72    81    51.80000  107.20000
   58    72    84    51.80000  107.20000
   66    58    59    37.50000  110.70000
   66    80    90    70.00000  120.00000
   66    80   104    80.00000  105.07000
   68    66    67    33.00000  107.80000
   80    66    67    35.00000  109.50000
   80    66    68    35.00000  109.50000
   80    90    91    35.00000  120.00000
   80    90    94    63.00000  120.00000
   80   104   100    60.00000  130.80000
   80   104    60    70.00000  120.00000
   90    94    95    35.00000  120.00000
   90    94    98    63.00000  120.00000
   94    90    91    35.00000  120.00000
   94    98   100    63.00000  120.00000
   94    98   101    70.00000  120.00000
   98    94    95    35.00000  120.00000
   98   100   104    70.00000  112.88000
   98   100    88    70.00000  120.00000
   98   101   105    75.00000  111.00000
  100   104    60    70.00000  120.00000
  100    88    73    75.00000  111.00000
  104    80    90    70.00000  112.88000
  104    60    69    70.00000  112.17500
  104    60    73    70.00000  112.17500
   60    52    53    37.50000  110.70000
   60    52    58    58.35000  112.70000
   60    69    70    37.50000  110.70000
   60    69    71    37.50000  110.70000
   60    69    81    58.35000  112.70000
   60    73    74    37.50000  110.70000
   60    73    88    50.00000  109.50000
   69    81    82    37.50000  110.70000
   69    81    83    37.50000  110.70000
   69    81    72    56.20000  109.47000
   71    69    70    33.00000  107.80000
   81    69    70    37.50000  110.70000
   81    69    71    37.50000  110.70000
   81    72    84    51.80000  107.20000
   83    81    82    33.00000  107.80000
   72    58    59    35.00000  109.50000
   72    58    66    56.20000  109.47000
   72    81    82    35.00000  109.50000
   72    81    83    35.00000  109.50000
   72    84    85    35.00000  109.50000
   72    84    86    35.00000  109.50000
   72    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   73    44    47    58.35000  112.70000
   73    60    69    58.35000  112.70000
   88   100   104    70.00000  120.00000
   88    73    74    35.00000  109.50000
  101    98   100    70.00000  120.00000
  101   105   106    35.00000  109.50000
  101   105   107    35.00000  109.50000
  101   105   108    35.00000  109.50000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   50    33    37    75.00000  112.33000
   50    33    38    75.00000  110.70900
   50    44    47    56.20000  109.47000
   50    44    73    56.20000  109.47000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    61    56.20000  109.47000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   56    54    55    33.00000  107.80000
   61    39    42    70.00000  120.00000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    51    57    70.00000  120.00000
   64    75    76    35.00000  109.50000
   64    75    77    35.00000  109.50000
   64    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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
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   66    80    90    94   3.62500 -1.0 2.0
   66    80   104   100   3.62500 -1.0 2.0
   66    80   104    60   3.62500 -1.0 2.0
   67    66    80    90   0.00000  1.0 1.0
   67    66    80   104   0.00000  1.0 1.0
   68    66    80    90   0.00000  1.0 1.0
   68    66    80   104   0.00000  1.0 1.0
   80    90    94    95   3.62500 -1.0 2.0
   80    90    94    98   3.62500 -1.0 2.0
   80   104   -60    52   0.04150 -1.0 2.0
   80   104    60    69   0.04150 -1.0 2.0
   80   104    60    73   0.04150 -1.0 2.0
   90    80   104   100   3.62500 -1.0 2.0
   90    80   104    60   3.62500 -1.0 2.0
   90    94   -98   100   3.62500 -1.0 2.0
   90    94    98   101   3.62500 -1.0 2.0
   91    90    94    95   3.62500 -1.0 2.0
   91    90    94    98   3.62500 -1.0 2.0
   94    98   100   104   3.62500 -1.0 2.0
   94    98   100    88   3.62500 -1.0 2.0
   94    98   101   105   1.63200 -1.0 2.0
   95    94    98   100   3.62500 -1.0 2.0
   95    94    98   101   3.62500 -1.0 2.0
   98   100  -104    80   3.62500 -1.0 2.0
   98   100   104    60   3.62500 -1.0 2.0
   98   100    88    73   1.63200 -1.0 2.0
   98   101   105   106   0.08050  1.0 3.0
   98   101   105   107   0.08050  1.0 3.0
   98   101   105   108   0.08050  1.0 3.0
  100    98   101   105   1.63200 -1.0 2.0
  100   104    60    52   0.04150 -1.0 2.0
  100   104    60    69   0.04150 -1.0 2.0
  100   104   -60    73   0.04150 -1.0 2.0
  104    80    90    91   3.62500 -1.0 2.0
  104    80   -90    94   3.62500 -1.0 2.0
  104   100   -88    73   1.63200 -1.0 2.0
  104    60    69    70   0.43200  1.0 3.0
  104    60    69    71   0.43200  1.0 3.0
  104    60    69    81  -0.03700  1.0 1.0
  104    60    69    81   0.37200 -1.0 2.0
  104    60    69    81  -0.47300  1.0 3.0
  104    60    73    44  -0.03700  1.0 1.0
  104    60    73    44   0.37200 -1.0 2.0
  104    60    73    44  -0.47300  1.0 3.0
  104    60    73    74   0.43200  1.0 3.0
  104    60   -73    88  -0.64350  1.0 1.0
  104    60   -73    88  -0.04200 -1.0 2.0
  104    60   -73    88   0.19800  1.0 3.0
   60    52    58    59   0.15000  1.0 3.0
   60    52   -58    66   0.56750  1.0 1.0
   60    52   -58    66  -0.07550 -1.0 2.0
   60    52   -58    66   0.20000  1.0 3.0
   60    52    58    72   1.53400  1.0 1.0
   60    52    58    72  -0.09950 -1.0 2.0
   60    52    58    72   0.05700  1.0 3.0
   60    69    81    82   0.15000  1.0 3.0
   60    69    81    83   0.15000  1.0 3.0
   60    69   -81    72   1.53400  1.0 1.0
   60    69   -81    72  -0.09950 -1.0 2.0
   60    69   -81    72   0.05700  1.0 3.0
   60    73   -88   100  -0.32850  1.0 1.0
   60    73   -88   100  -0.35800 -1.0 2.0
   60    73   -88   100   0.33950  1.0 3.0
   69    60    73    44   0.56750  1.0 1.0
   69    60    73    44  -0.07550 -1.0 2.0
   69    60    73    44   0.20000  1.0 3.0
   69    60    73    74   0.15000  1.0 3.0
   69    60    73    88   0.62750  1.0 1.0
   69    60    73    88  -0.30950 -1.0 2.0
   69    60    73    88   0.27300  1.0 3.0
   69    81   -72    58   0.23450  1.0 1.0
   69    81   -72    58   0.02050 -1.0 2.0
   69    81   -72    58   0.25250  1.0 3.0
   69    81    72    84   0.58650  1.0 1.0
   69    81    72    84   0.12600 -1.0 2.0
   69    81    72    84   0.33350  1.0 3.0
   70    69    81    82   0.15000  1.0 3.0
   70    69    81    83   0.15000  1.0 3.0
   70    69    81    72   0.15000  1.0 3.0
   71    69    81    82   0.15000  1.0 3.0
   71    69    81    83   0.15000  1.0 3.0
   71    69    81    72   0.15000  1.0 3.0
   81    72    84    85   0.28000  1.0 3.0
   81    72    84    86   0.28000  1.0 3.0
   81    72    84    87   0.28000  1.0 3.0
   82    81    72    58   0.28000  1.0 3.0
   82    81    72    84   0.28000  1.0 3.0
   83    81    72    58   0.28000  1.0 3.0
   83    81    72    84   0.28000  1.0 3.0
   72    58    66    67   0.15000  1.0 3.0
   72    58    66    68   0.15000  1.0 3.0
   72    58    66    80   0.83750  1.0 1.0
   72    58    66    80   0.32200 -1.0 2.0
   72    58    66    80   0.70600  1.0 3.0
   73    44    47    48   0.15000  1.0 3.0
   73    44    47    49   0.15000  1.0 3.0
   73    44   -47    52   0.56750  1.0 1.0
   73    44   -47    52  -0.07550 -1.0 2.0
   73    44   -47    52   0.20000  1.0 3.0
   73    44    50    33   0.23450  1.0 1.0
   73    44    50    33   0.02050 -1.0 2.0
   73    44    50    33   0.25250  1.0 3.0
   73    44    50    54   0.23450  1.0 1.0
   73    44    50    54   0.02050 -1.0 2.0
   73    44    50    54   0.25250  1.0 3.0
   73    60    69    70   0.15000  1.0 3.0
   73    60    69    71   0.15000  1.0 3.0
   73    60    69    81   0.56750  1.0 1.0
   73    60    69    81  -0.07550 -1.0 2.0
   73    60    69    81   0.20000  1.0 3.0
   74    73    88   100   0.08050  1.0 3.0
   88   100   104    80   3.62500 -1.0 2.0
   88   100  -104    60   3.62500 -1.0 2.0
  101    98   100   104   3.62500 -1.0 2.0
  101    98   100    88   3.62500 -1.0 2.0
   50    33    37    39   0.18550 -1.0 2.0
   50    33    37    39   0.14000  1.0 3.0
   50    33    37    57   0.18550 -1.0 2.0
   50    33    37    57   0.14000  1.0 3.0
   50    33    38    89   0.09700  1.0 1.0
   50    33    38    89   0.15600 -1.0 2.0
   50    33    38    89  -0.50800  1.0 3.0
   50    33   -38    40   0.90200  1.0 1.0
   50    33   -38    40   0.57900 -1.0 2.0
   50    33   -38    40  -0.62100  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    52   1.53400  1.0 1.0
   50    44    47    52  -0.09950 -1.0 2.0
   50    44    47    52   0.05700  1.0 3.0
   50    44    73    60   1.53400  1.0 1.0
   50    44    73    60  -0.09950 -1.0 2.0
   50    44    73    60   0.05700  1.0 3.0
   50    44    73    74   0.15000  1.0 3.0
   50    44    73    88   1.74050  1.0 1.0
   50    54   -61    39   0.83750  1.0 1.0
   50    54   -61    39   0.32200 -1.0 2.0
   50    54   -61    39   0.70600  1.0 3.0
   50    54    61    62   0.15000  1.0 3.0
   50    54    61    63   0.15000  1.0 3.0
   55    54    61    39   0.43200  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   56    54    61    39   0.43200  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   61    39    42    43   3.62500 -1.0 2.0
   61    39    42    45   3.62500 -1.0 2.0
   64    51    57    37   3.62500 -1.0 2.0
   64    51    57    65   3.62500 -1.0 2.0
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
   39    57    37    33   4.00000 -1.0 2.0
   42    61    39    37   4.00000 -1.0 2.0
   45    43    42    39   1.10000 -1.0 2.0
   51    46    45    42   1.10000 -1.0 2.0
   57    64    51    45   4.00000 -1.0 2.0
   51    65    57    37   4.00000 -1.0 2.0
   89   102    79    65   4.00000 -1.0 2.0
   92    38    89    79   4.00000 -1.0 2.0
   96    93    92    89   1.10000 -1.0 2.0
   99    97    96    92   1.10000 -1.0 2.0
  102   103    99    96   4.00000 -1.0 2.0
   99   109   102    79   4.00000 -1.0 2.0
   33    89    38    40   1.10000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   90   104    80    66   4.00000 -1.0 2.0
   94    91    90    80   1.10000 -1.0 2.0
   98    95    94    90   1.10000 -1.0 2.0
  100   101    98    94   4.00000 -1.0 2.0
  104    88   100    98   4.00000 -1.0 2.0
  100    60   104    80   4.00000 -1.0 2.0
END
