* LIGAND DATABASE FILE (OPLS2005)
*
001     112   116    211    316     598
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02067    38.00765   125.84038
    3     1 S   H    _H1_     3     1.02118    76.93851   -87.94595
    4     1 S   H    _H2_     4     1.02096   100.59174    18.95409
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO   _C25    36     1.84172    97.39302  -178.16592
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   C4T  _C17    37     1.53602   107.02518  -160.02762
   38    37 S   Cl   Cl1_    38     1.92294   105.82125   -62.25435
   39    33 S   OS   _O38    64     1.44125   109.50887   -37.96959
   40    33 S   OH   _O39   111     1.43575   107.11072    82.32808
   41    40 S   HO   _H19   112     0.96698   105.99232   -64.11462
   42    37 S   C4T  _C16    39     1.57792   126.03391    71.89351
   43    37 S   C4T  _C18    54     1.55377   110.94990   175.39249
   44    42 S   CA   _C11    40     1.57346   123.46649    19.58549
   45    42 S   C4T  _C15    52     1.55357    87.04225   136.16046
   46    45 S   Cl   Cl2_    53     1.88716   113.63572    95.08040
   47    43 S   CA   _C19    55     1.58128   113.20414   -27.51934
   48    43 S   CT   _C30    84     1.52566   114.48361    94.83211
   49    48 S   HC   _H30    85     1.08883   109.93415    54.08778
   50    48 S   HC   _H31    86     1.08892   109.92561   -65.95469
   51    48 S   HC   _H32    87     1.08954   109.86086   174.07017
   52    42 S   CT   _C31   107     1.52876   113.30310  -109.09250
   53    52 S   HC   _H33   108     1.08797   109.79288   -42.39121
   54    52 S   HC   _H34   109     1.08925   109.73845  -162.43281
   55    52 S   HC   _H35   110     1.08868   109.74505    77.60652
   56    44 S   CA   _C10    41     1.40669   123.44728   -72.34815
   57    56 S   HA   _H14    42     1.08574   119.78757    -0.92620
   58    47 S   CA   _C20    56     1.40670   122.83050  -178.32252
   59    58 S   HA   _H16    57     1.08772   119.68648    -1.05888
   60    56 S   CA   _C9_    43     1.39975   122.18911   179.30255
   61    60 S   HA   _H13    44     1.08680   119.43570  -179.11486
   62    58 S   CA   _C21    58     1.39592   121.56409   177.77103
   63    62 S   HA   _H17    59     1.08751   119.55748  -179.41717
   64    60 S   CA   _C8_    45     1.39031   120.16987     1.17902
   65    62 S   CA   _C22    60     1.39170   120.08836    -0.02798
   66    64 S   CA   _C13    46     1.38755   119.54233     0.93941
   67    66 S   HA   _H15    47     1.08689   120.37830   178.23697
   68    65 S   CA   _C23    61     1.39080   119.84076     0.66293
   69    68 S   HA   _H18    62     1.08685   120.07781   179.82868
   70    65 S   OS   _O40    65     1.36148   120.07526  -179.42768
   71    64 S   OS   _O35    88     1.36072   120.20841   179.96044
   72    44 S   CA   _C12    48     1.40332   121.04033   110.13406
   73    47 S   CA   _C24    63     1.40914   120.25571     1.01799
   74    70 S   P1   _P2_    66     1.62554   126.69193   150.04407
   75    74 S   ST   _S2_    67     1.95064   116.84559   -53.18294
   76    71 S   P1   _P1_    89     1.62665   126.70777    -0.01978
   77    76 S   ST   _S1_    90     1.95041   116.85791   -73.12335
   78    72 S   OS   _O36    49     1.42007   121.49235     3.10633
   79    74 S   OS   _O41    68     1.62882   101.26493   179.98022
   80    74 S   OS   _O42    76     1.62656   102.00282    76.10442
   81    76 S   OS   _O33    91     1.62929   101.27721   160.01428
   82    76 S   OS   _O34    99     1.62728   101.93287    56.14800
   83    78 S   CO4  _C14    50     1.40581   125.34321    -3.89692
   84    83 S   O    _O37    51     1.23356   119.36867   174.55256
   85    79 S   CT   _C26    69     1.41764   119.84247    59.99148
   86    85 S   HC   _H20    70     1.09426   108.80344   -59.43991
   87    85 S   HC   _H21    71     1.09427   108.81135    59.39024
   88    80 S   CT   _C28    77     1.41686   119.86143   160.01934
   89    88 S   HC   _H25    78     1.09496   108.74394   -59.40257
   90    88 S   HC   _H26    79     1.09437   108.82581    59.30591
   91    81 S   CT   _C5_    92     1.41794   119.82754    59.97566
   92    91 S   HC   _H6_    93     1.09403   108.78281   -59.36595
   93    91 S   HC   _H7_    94     1.09428   108.78344    59.40979
   94    82 S   CT   _C6_   100     1.41796   119.75538   159.99205
   95    94 S   HC   _H8_   101     1.09370   108.76930   -59.45377
   96    94 S   HC   _H9_   102     1.09364   108.81419    59.37512
   97    85 S   CT   _C27    72     1.51387   109.01464  -179.96574
   98    97 S   HC   _H22    73     1.09361   110.88001   -60.48627
   99    97 S   HC   _H23    74     1.09477   110.70071    60.37982
  100    97 S   HC   _H24    75     1.09524   110.64069   178.69989
  101    88 S   CT   _C29    80     1.51398   109.05692  -179.97202
  102   101 S   HC   _H27    81     1.09375   110.81622   -60.52046
  103   101 S   HC   _H28    82     1.09463   110.65860    60.35497
  104   101 S   HC   _H29    83     1.09483   110.59849   178.66148
  105    91 S   CT   _C4_    95     1.51335   108.98564  -179.97202
  106   105 S   HC   _H3_    96     1.09392   110.92470   -60.47726
  107   105 S   HC   _H4_    97     1.09499   110.66143    60.41074
  108   105 S   HC   _H5_    98     1.09503   110.67525   178.72313
  109    94 S   CT   _C7_   103     1.51394   108.95983   179.95577
  110   109 S   HC   _H10   104     1.09341   110.93303   -60.48007
  111   109 S   HC   _H11   105     1.09461   110.63166    60.45392
  112   109 S   HC   _H12   106     1.09539   110.57517   178.62044
  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   9   5   4   3
  14   2   1   1  23   9  10   4   1  18  17  16  17   6  13   6
   2   1   1   6   2   1   1   8   4   7   4   7   3   7   3   9
   8   6   3   4   2   7   7   3   1  11   4  11   4   2   9   8
   9   8   1   1   6   5   4   6   5   4   6   5   4   6   5   4
   3   2   1   1   3   2   1   1   3   2   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    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    43    73    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    44    45    43    47    68    73    39    48    52    40    41  
   35    36  
   36  
    0  
   38    42    44    56    72    83    45    46    43    47    58    73    39    48    49    50    51    52    53    54    55    40    41  
   42    44    45    43    47    39    48    52    40  
   40    41    42    43    47    58    65    68    69    73  
   41    42    43    73  
    0  
   44    56    57    60    66    72    78    83    84    45    46    43    47    48    52    53    54    55  
   47    58    59    62    68    73    48    49    50    51    52    44    45    46    78    83    84  
   56    57    60    61    64    66    67    72    78    83    45    46    52    53    54    55  
   46    47    58    73    48    49    50    51    52    53    54    55    56    72    78    83    84  
   47    48    52    78    83    84  
   58    59    62    63    65    68    69    73    48    49    50    51    83  
   49    50    51    58    73    83  
   50    51  
   51  
    0  
   53    54    55    56    72    83  
   54    55  
   55  
    0  
   57    60    61    64    66    72    78    71  
   60    61    64    72  
   59    62    63    65    68    73    70  
   62    63    65    73  
   61    64    66    67    72    71    76  
   64    66    71  
   63    65    68    69    73    70    74  
   65    68    70  
   66    67    72    78    71    76    77    81    82  
   68    69    73    70    74    75    79    80  
   67    72    78    83    71    76  
   72    78    71  
   69    73    70    74  
   73    70  
   74    75    79    85    80    88    73  
   76    77    81    91    82    94    72  
   78    83    84  
    0  
   75    79    85    86    87    97    80    88    89    90   101  
   79    85    80    88  
   77    81    91    92    93   105    82    94    95    96   109  
   81    91    82    94  
   83    84  
   85    86    87    97    98    99   100    80    88  
   88    89    90   101   102   103   104    85  
   91    92    93   105   106   107   108    82    94  
   94    95    96   109   110   111   112    91  
   84  
    0  
   86    87    97    98    99   100  
   87    97    98    99   100  
   97    98    99   100  
   89    90   101   102   103   104  
   90   101   102   103   104  
  101   102   103   104  
   92    93   105   106   107   108  
   93   105   106   107   108  
  105   106   107   108  
   95    96   109   110   111   112  
   96   109   110   111   112  
  109   110   111   112  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104  
  103   104  
  104  
    0  
  106   107   108  
  107   108  
  108  
    0  
  110   111   112  
  111   112  
  112  
    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  -0.175000   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   0.372200   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   0.267100   1.9750   1.7500   0.005000000  -0.741685710
   38   3.4000   0.3000  -0.267100   2.1950   1.9500   0.001000000   0.320982824
   39   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.121200   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  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.100000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.100000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   2.8500   0.1400  -0.288200   1.7660   1.5600   0.020110767  -0.896042159
   71   2.8500   0.1400  -0.288200   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.7400   0.2000   1.154100   2.1070   1.8700   0.005000000   0.000000000
   75   4.2500   0.5000  -0.589500   2.3875   2.1250   0.025682759  -1.666211680
   76   3.7400   0.2000   1.154100   2.1070   1.8700   0.005000000   0.000000000
   77   4.2500   0.5000  -0.589500   2.3875   2.1250   0.025682759  -1.666211680
   78   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   79   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   80   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   81   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   82   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   83   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.152900   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   0.152900   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   260.000  1.519
   33    39   320.000  1.380
   33    40   380.000  1.407
   37    38   185.000  1.815
   37    42   268.000  1.529
   37    43   268.000  1.529
   42    44   317.000  1.510
   42    45   268.000  1.529
   42    52   260.000  1.519
   44    56   469.000  1.400
   44    72   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    66   469.000  1.400
   64    71   450.000  1.364
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    78   450.000  1.364
   78    83   214.000  1.327
   83    84   570.000  1.229
   83    45   265.000  1.493
   45    46   185.000  1.815
   45    43   268.000  1.529
   43    47   317.000  1.510
   43    48   260.000  1.519
   47    58   469.000  1.400
   47    73   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    68   469.000  1.400
   65    70   450.000  1.364
   68    69   367.000  1.080
   68    73   469.000  1.400
   73    39   450.000  1.364
   70    74   405.000  1.623
   74    75   270.000  1.959
   74    79   405.000  1.623
   74    80   405.000  1.623
   79    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   80    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   71    76   405.000  1.623
   76    77   270.000  1.959
   76    81   405.000  1.623
   76    82   405.000  1.623
   81    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   82    94   320.000  1.410
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   40    41   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    39    85.00000  114.68000
   29    33    40    85.00000  114.68000
   33    37    38    75.00000  108.76400
   33    37    42    65.00000  119.52000
   33    37    43    65.00000  119.52000
   33    39    73   100.00000  112.36700
   33    40    41    70.00000  107.92000
   37    42    44    50.00000  118.80000
   37    42    45    63.00000   92.00000
   37    42    52    65.00000  119.52000
   37    43    45    63.00000   92.00000
   37    43    47    50.00000  118.80000
   37    43    48    65.00000  119.52000
   42    37    38    65.00000  118.08000
   42    44    56    70.00000  120.00000
   42    44    72    70.00000  120.00000
   42    45    83    80.00000  115.07000
   42    45    46    65.00000  118.08000
   42    45    43    63.00000   92.00000
   42    52    53    45.00000  111.22300
   42    52    54    45.00000  111.22300
   42    52    55    45.00000  111.22300
   44    56    57    35.00000  120.00000
   44    56    60    63.00000  120.00000
   44    72    66    63.00000  120.00000
   44    72    78    70.00000  120.00000
   56    60    61    35.00000  120.00000
   56    60    64    63.00000  120.00000
   60    56    57    35.00000  120.00000
   60    64    66    63.00000  120.00000
   60    64    71    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    72    63.00000  120.00000
   64    71    76    70.00000  122.28900
   66    72    78    70.00000  120.00000
   72    44    56    63.00000  120.00000
   72    66    67    35.00000  120.00000
   72    78    83    85.00000  115.98000
   78    83    84    83.00000  123.40000
   78    83    45    81.00000  111.40000
   83    45    46    70.00000  110.66000
   83    45    43    80.00000  115.07000
   45    42    44    50.00000  118.80000
   45    83    84    65.00000  127.62700
   45    43    47    50.00000  118.80000
   45    43    48    65.00000  119.52000
   43    37    38    65.00000  118.08000
   43    37    42    63.00000   92.00000
   43    45    46    65.00000  118.08000
   43    47    58    70.00000  120.00000
   43    47    73    70.00000  120.00000
   43    48    49    45.00000  111.22300
   43    48    50    45.00000  111.22300
   43    48    51    45.00000  111.22300
   47    58    59    35.00000  120.00000
   47    58    62    63.00000  120.00000
   47    73    68    63.00000  120.00000
   47    73    39    70.00000  120.00000
   58    62    63    35.00000  120.00000
   58    62    65    63.00000  120.00000
   62    58    59    35.00000  120.00000
   62    65    68    63.00000  120.00000
   62    65    70    70.00000  120.00000
   65    62    63    35.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    73    63.00000  120.00000
   65    70    74    70.00000  122.28900
   68    73    39    70.00000  120.00000
   73    47    58    63.00000  120.00000
   73    68    69    35.00000  120.00000
   39    33    37    90.00000  108.56700
   70    65    68    70.00000  120.00000
   70    74    75    80.00000  117.31900
   70    74    79   120.00000  102.38000
   70    74    80   120.00000  102.38000
   74    79    85    75.00000  119.24600
   74    80    88    75.00000  119.24600
   79    74    75    80.00000  117.31900
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    97    50.00000  109.50000
   85    97    98    37.50000  110.70000
   85    97    99    37.50000  110.70000
   85    97   100    37.50000  110.70000
   87    85    86    33.00000  107.80000
   97    85    86    37.50000  110.70000
   97    85    87    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   80    74    75    80.00000  117.31900
   80    74    79   120.00000  102.38000
   80    88    89    35.00000  109.50000
   80    88    90    35.00000  109.50000
   80    88   101    50.00000  109.50000
   88   101   102    37.50000  110.70000
   88   101   103    37.50000  110.70000
   88   101   104    37.50000  110.70000
   90    88    89    33.00000  107.80000
  101    88    89    37.50000  110.70000
  101    88    90    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   48    43    47    70.00000  112.17500
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   71    64    66    70.00000  120.00000
   71    76    77    80.00000  117.31900
   71    76    81   120.00000  102.38000
   71    76    82   120.00000  102.38000
   76    81    91    75.00000  119.24600
   76    82    94    75.00000  119.24600
   81    76    77    80.00000  117.31900
   81    91    92    35.00000  109.50000
   81    91    93    35.00000  109.50000
   81    91   105    50.00000  109.50000
   91   105   106    37.50000  110.70000
   91   105   107    37.50000  110.70000
   91   105   108    37.50000  110.70000
   93    91    92    33.00000  107.80000
  105    91    92    37.50000  110.70000
  105    91    93    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   82    76    77    80.00000  117.31900
   82    76    81   120.00000  102.38000
   82    94    95    35.00000  109.50000
   82    94    96    35.00000  109.50000
   82    94   109    50.00000  109.50000
   94   109   110    37.50000  110.70000
   94   109   111    37.50000  110.70000
   94   109   112    37.50000  110.70000
   96    94    95    33.00000  107.80000
  109    94    95    37.50000  110.70000
  109    94    96    37.50000  110.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   52    42    44    70.00000  112.17500
   52    42    45    65.00000  119.52000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   40    33    37    90.00000  110.19100
   40    33    39   110.00000  112.08000
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
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
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   96    94   109   112   0.15000  1.0 3.0
   52    42    44    56   0.04150 -1.0 2.0
   52    42    44    72   0.04150 -1.0 2.0
   52    42    45    83  -0.95700  1.0 1.0
   52    42    45    83  -0.18200 -1.0 2.0
   52    42    45    83   0.29450  1.0 3.0
   52    42    45    46   0.35600  1.0 1.0
   52    42    45    46  -0.14650 -1.0 2.0
   52    42    45    46   0.33350  1.0 3.0
   52    42   -45    43  -0.70950  1.0 1.0
   52    42   -45    43   0.38400 -1.0 2.0
   40    33    37    38   0.56750  1.0 1.0
   40    33    37    38  -0.07550 -1.0 2.0
   40    33    37    38   0.20000  1.0 3.0
   40    33    37    42   0.86500  1.0 1.0
   40    33    37    42  -0.17500 -1.0 2.0
   40    33    37    42   0.20800  1.0 3.0
   40    33    37    43   0.86500  1.0 1.0
   40    33    37    43  -0.17500 -1.0 2.0
   40    33    37    43   0.20800  1.0 3.0
   40    33    39    73  -0.25600  1.0 1.0
   40    33    39    73  -0.40050 -1.0 2.0
   40    33    39    73   0.34700  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
   56    72    44    42   4.00000 -1.0 2.0
   60    57    56    44   1.10000 -1.0 2.0
   64    61    60    56   1.10000 -1.0 2.0
   66    71    64    60   4.00000 -1.0 2.0
   72    67    66    64   1.10000 -1.0 2.0
   66    78    72    44   4.00000 -1.0 2.0
   78    45    83    84  10.50000 -1.0 2.0
   58    73    47    43   4.00000 -1.0 2.0
   62    59    58    47   1.10000 -1.0 2.0
   65    63    62    58   1.10000 -1.0 2.0
   68    70    65    62   4.00000 -1.0 2.0
   73    69    68    65   1.10000 -1.0 2.0
   68    39    73    47   4.00000 -1.0 2.0
END
