* LIGAND DATABASE FILE (OPLS2005)
*
001     111   112    207    310     611
    1     0 S   NP   _N1_     1    28.67222   100.96339   -19.26909
    2     1 S   H    _HN1     2     1.02777    86.56796  -101.17179
    3     1 S   H    _H1_     3     1.02957    54.55089    14.27108
    4     1 S   H    _H2_     4     1.02835    67.25952   147.79625
    5     1 S   CT   _CA1     5     1.50128   159.98235    59.44568
    6     5 S   HC   _HA1     6     1.09574   105.21966   139.49055
    7     5 S   CO3  _C1_     7     1.53791   112.36654    19.29021
    8     7 S   O2Z  _O11     8     1.26366   114.99736   -43.82185
    9     7 S   O2Z  _O12     9     1.26236   114.93402   135.29109
   10     5 S   CT   _CB1    10     1.53097   107.42193  -102.59134
   11    10 S   HC   HB11    11     1.09826   109.34789   -50.46608
   12    10 S   HC   HB12    12     1.09817   110.41953    66.09572
   13    10 S   CT   _CG1    13     1.53011   112.66243  -171.53821
   14    13 S   HC   HG11    14     1.09597   110.48072   -64.10156
   15    13 S   HC   HG12    15     1.09656   109.93085    55.09654
   16    13 S   C    _CD1    16     1.51838   112.32943   175.47511
   17    16 S   O    _OE1    17     1.22749   123.28763    -0.19584
   18    16 S   N    _N2_    18     1.38526   111.67314   179.75934
   19    18 S   H    _HN2    19     1.01560   119.06460     4.60190
   20    18 S   CT1  _CA2    20     1.45900   122.99755   178.22469
   21    20 S   HC   _HA2    21     1.09733   108.94704    22.86909
   22    20 S   C    _C2_    22     1.52915   106.86854   -94.13716
   23    22 S   O    _O2_    23     1.22996   122.99470   -28.25205
   24    20 S   CT   _CB2    32     1.53379   112.06562   146.01458
   25    24 S   HC   HB21    33     1.09329   109.39967    54.58153
   26    24 S   HC   HB22    34     1.09361   109.37836   173.47628
   27    22 S   N    _N3_    24     1.38506   112.64217   154.20598
   28    27 S   H    _HN3    25     1.01657   120.35132    -0.93753
   29    24 S   S    _SG2    35     1.82635   110.31585   -67.05642
   30    27 S   CT   _CA3    26     1.45355   122.41978   178.80417
   31    30 S   HC   HA31    27     1.09568   107.55929   -61.50193
   32    30 S   HC   HA32    28     1.09572   107.82710    54.78934
   33    29 S   CT   _C23    36     1.87458   103.24272   166.23241
   34    30 S   CO3  _C3_    29     1.52889   114.43969   176.78618
   35    34 S   O2Z  _O31    30     1.26323   116.11986     0.39366
   36    34 S   O2Z  _O32    31     1.26461   114.39075  -179.56076
   37    33 S   CT   _C14    37     1.57966   105.53558  -178.42704
   38    37 S   HC   _H45    38     1.09659   109.67664   -59.83599
   39    37 S   HC   _H46    39     1.09675   107.54410  -174.04510
   40    33 S   CT   _C19    68     1.60680   115.15773    64.23234
   41    40 S   OM   _O29    69     1.32516   111.08489   -76.43616
   42    40 S   HC   _H52    70     1.10019   103.79722   157.53980
   43    33 S   CT   _C30   108     1.54877   109.43351   -63.08030
   44    43 S   HC   _H73   109     1.09397   113.15158    70.86711
   45    43 S   HC   _H74   110     1.09555   112.17302   -49.71588
   46    43 S   HC   _H75   111     1.09666   110.37238  -169.49734
   47    37 S   CT   _C12    40     1.54383   118.35865    64.24432
   48    47 S   HC   _H41    41     1.09464   110.82071    62.95042
   49    47 S   HC   _H42    42     1.09473   110.04405   -55.46188
   50    47 S   CT   _C13    43     1.54062   111.54663  -174.79602
   51    50 S   HC   _H43    44     1.09342   107.96575    49.29509
   52    50 S   HC   _H44    45     1.09747   108.54161   163.39545
   53    50 S   CT   _C18    46     1.54700   113.38101   -74.57667
   54    53 S   HC   _H51    47     1.09480   109.80372    25.61260
   55    53 S   CT   _C21    48     1.55300   113.34976   145.41623
   56    55 S   HC   _H54    49     1.09771   106.95240   173.51463
   57    53 S   CT   _C27   104     1.53584   109.55955   -90.74896
   58    57 S   HC   _H64   105     1.09508   111.68030   -62.45165
   59    57 S   HC   _H65   106     1.09524   110.67909   177.26290
   60    57 S   HC   _H66   107     1.09497   110.85619    57.99431
   61    55 S   CT   _C16    50     1.55307   112.38448   -66.43058
   62    61 S   HC   _H49    51     1.09214   108.34712    -8.02661
   63    55 S   OH   _O36   102     1.42446   109.56359    58.63917
   64    63 S   HO   _H77   103     0.97282   107.34531   169.56996
   65    61 S   CO4  _C7_    52     1.53752   109.76995  -125.36394
   66    65 S   O    _O30    53     1.23483   119.68705   -68.37613
   67    61 S   CT   _C26    98     1.53043   115.34497   112.40608
   68    67 S   HC   _H61    99     1.09535   111.94340    63.57751
   69    67 S   HC   _H62   100     1.09338   111.62926   -57.83469
   70    67 S   HC   _H63   101     1.09588   110.36931  -177.46402
   71    65 S   CT   _C22    54     1.55467   118.85218   110.42640
   72    71 S   CT   _C20    55     1.56012   109.64330    60.56743
   73    72 S   HC   _H53    56     1.09089   108.43167   -51.39921
   74    71 S   CT   _C28    90     1.54028   107.61046   -61.20730
   75    74 S   HC   _H67    91     1.09523   111.88620  -162.73316
   76    74 S   HC   _H68    92     1.09437   111.50120    76.96702
   77    74 S   HC   _H69    93     1.09620   111.26010   -43.10845
   78    71 S   CT   _C29    94     1.54308   108.72564  -177.63189
   79    78 S   HC   _H70    95     1.09510   111.55010  -179.08571
   80    78 S   HC   _H71    96     1.09679   110.95278    61.21479
   81    78 S   HC   _H72    97     1.09539   111.94207   -58.01183
   82    72 S   CT   _C11    57     1.54052   115.16086  -174.20695
   83    82 S   HC   _H39    58     1.09342   112.10076    37.72874
   84    82 S   HC   _H40    59     1.09609   110.22938   -82.95269
   85    72 S   OH   _O35    88     1.43228   110.14306    62.69214
   86    85 S   HO   _H76    89     0.97191   108.62075    72.86277
   87    82 S   CO4  _C8_    60     1.51704   113.35997   156.80913
   88    87 S   O    _O33    61     1.22408   123.48755   140.97089
   89    87 S   OS   _O34    62     1.35920   110.33124   -43.20684
   90    89 S   CT   _C17    63     1.44708   119.60472  -174.29927
   91    90 S   HC   _H50    64     1.09730   108.04787    49.98061
   92    90 S   CT   _C15    65     1.54982   106.85402   167.22516
   93    92 S   HC   _H47    66     1.09535   107.22023    57.79065
   94    92 S   HC   _H48    67     1.10014   109.34172   172.59983
   95    90 S   CM   _C10    71     1.52789   110.49239   -71.99837
   96    95 S   CM   _C9_    72     1.35018   119.13217   124.69639
   97    96 S   HC   _H38    73     1.08995   116.65172    -2.03346
   98    95 S   CT   _C25    84     1.50791   116.26117   -54.55916
   99    98 S   HC   _H58    85     1.09439   110.29375   -86.67546
  100    98 S   HC   _H59    86     1.09319   112.59577   151.38453
  101    98 S   HC   _H60    87     1.09496   111.20616    33.13493
  102    96 S   C5B  _C5_    74     1.42923   128.86668   177.47850
  103   102 S   C5A  _C4_    75     1.38043   123.42121   160.19515
  104   103 S   HA   _H37    76     1.08120   129.05717    -1.64877
  105   103 S   SA   _S36    77     1.71448   109.70935   178.65681
  106   105 S   CRA  _C6_    78     1.71917    89.47515    -0.82187
  107   102 S   N5B  _N28    79     1.38024   121.09729   -22.73267
  108   106 S   CT   _C24    80     1.48670   120.03517  -179.75934
  109   108 S   HC   _H55    81     1.09460   110.85799   -60.26588
  110   108 S   HC   _H56    82     1.09460   110.85016    60.65854
  111   108 S   HC   _H57    83     1.09479   110.44981  -179.79923
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  18   2   1   1  17   7   6  14   6   5   5   2   1   1   9   5
   4  12   5   4  13   8  16   7   5   2   1   1  13   8   3   1
  18   5   4   2   1   1  16  17   8   9   3   2   1   5   2   1
   1   8   5   4   2   1   6   2   8  12   6   5   2   1   9  11
   4   4   2   1   1   6   5   3   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    92    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    50    90    92    93    94    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    52    53    92    40    41    42    43    44    45    46  
   39    47    48    49    50    40    43  
   47    48    49    50    40    43  
   41    42    95    43    44    45    46    47    89    90    91    92    93    94  
   42    43    90    92    93    94  
   43    90    92    93    94  
   44    45    46    47    92  
   45    46  
   46  
    0  
   48    49    50    51    52    53    54    55    57  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53    54    55    56    61    63    57    58    59    60  
   52    53    54    55    57  
   53    54    55    57  
   54    55    56    61    62    65    67    63    64    57    58    59    60  
   55    56    61    63    57    58    59    60  
   56    61    62    65    66    71    67    68    69    70    63    64    57    58    59    60  
   61    62    65    67    63    64    57  
   58    59    60    61    63  
   59    60  
   60  
    0  
   62    65    66    71    72    74    78    67    68    69    70    63    64  
   65    66    71    67    68    69    70    63  
   64    65    67  
    0  
   66    71    72    73    82    85    74    75    76    77    78    79    80    81    67    68    69    70  
   71    72    74    78    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    82    83    84    87    85    86    74    75    76    77    78    79    80    81  
   73    82    83    84    87    88    89    85    86    74    75    76    77    78    79    80    81  
   82    83    84    87    85    86    74    78  
   75    76    77    78    79    80    81    82    85  
   76    77    78  
   77    78  
   78  
   79    80    81    82    85  
   80    81  
   81  
    0  
   83    84    87    88    89    90    85    86  
   84    87    88    89    85  
   87    88    89    85  
   86    87  
    0  
   88    89    90    91    92    95  
   89    90  
   90    91    92    93    94    95    96    98  
   91    92    93    94    95    96    97   102    98    99   100   101  
   92    93    94    95    96    98  
   93    94    95    96    98  
   94    95  
   95  
   96    97   102   103   107    98    99   100   101  
   97   102   103   104   105   106   107    98    99   100   101  
  102   103   107    98  
   99   100   101   102  
  100   101  
  101  
    0  
  103   104   105   106   107   108  
  104   105   106   107   108  
  105   106   107  
  106   107   108   109   110   111  
  107   108   109   110   111  
  108   109   110   111  
  109   110   111  
  110   111  
  111  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
  103   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
  104   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
  105   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
  106   3.5500   0.0700   0.185900   2.0020   1.7750   0.001000000  -0.843144165
  107   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
  108   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.3810   1.2100   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   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    57   268.000  1.529
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    63   320.000  1.410
   61    62   340.000  1.090
   61    65   317.000  1.522
   61    67   268.000  1.529
   65    66   570.000  1.229
   65    71   317.000  1.522
   71    72   268.000  1.529
   71    74   268.000  1.529
   71    78   268.000  1.529
   72    73   340.000  1.090
   72    82   268.000  1.529
   72    85   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    87   317.000  1.522
   87    88   570.000  1.229
   87    89   214.000  1.327
   89    90   320.000  1.410
   90    91   340.000  1.090
   90    92   268.000  1.529
   90    95   317.000  1.510
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   95    96   549.000  1.340
   95    98   317.000  1.510
   96    97   340.000  1.080
   96   102   320.000  1.460
  102   103   520.000  1.370
  102   107   410.000  1.394
  103   104   367.000  1.080
  103   105   265.000  1.745
  105   106   250.000  1.765
  106   107   488.000  1.335
  106   108   295.000  1.488
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   85    86   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   63    64   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    92    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    58.35000  112.70000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    58.35000  112.70000
   50    53    57    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    61    58.35000  112.70000
   53    55    63    50.00000  109.50000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   55    53    54    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    65    63.00000  111.10000
   55    61    67    58.35000  112.70000
   55    63    64    55.00000  108.50000
   61    55    56    37.50000  110.70000
   61    65    66    80.00000  120.40000
   61    65    71    70.00000  116.00000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    70    37.50000  110.70000
   65    61    62    35.00000  109.50000
   65    71    72    63.00000  111.10000
   65    71    74    63.00000  111.10000
   65    71    78    63.00000  111.10000
   71    65    66    80.00000  120.40000
   71    72    73    37.50000  110.70000
   71    72    82    58.35000  112.70000
   71    72    85    50.00000  109.50000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    37.50000  110.70000
   72    82    83    37.50000  110.70000
   72    82    84    37.50000  110.70000
   72    82    87    63.00000  111.10000
   72    85    86    55.00000  108.50000
   82    72    73    37.50000  110.70000
   82    87    88    80.00000  120.40000
   82    87    89    81.00000  111.40000
   84    82    83    33.00000  107.80000
   87    82    83    35.00000  109.50000
   87    82    84    35.00000  109.50000
   87    89    90    83.00000  116.90000
   89    87    88    83.00000  123.40000
   89    90    91    35.00000  109.50000
   89    90    92    50.00000  109.50000
   89    90    95    85.00000  110.90400
   90    92    93    37.50000  110.70000
   90    92    94    37.50000  110.70000
   90    92    40    58.35000  112.70000
   90    95    96    70.00000  124.00000
   90    95    98    65.00000  117.92700
   92    90    91    37.50000  110.70000
   92    40    41    50.00000  109.50000
   92    40    42    37.50000  110.70000
   94    92    93    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    92    93    37.50000  110.70000
   40    92    94    37.50000  110.70000
   42    40    41    45.00000  125.66300
   95    90    91    35.00000  109.50000
   95    90    92    70.00000  112.02700
   95    96    97    35.00000  120.00000
   95    96   102    60.00000  123.20500
   95    98    99    35.00000  109.50000
   95    98   100    35.00000  109.50000
   95    98   101    35.00000  109.50000
   96   102   103    60.00000  120.93500
   96   102   107    70.00000  118.40000
  102    96    97    40.00000  117.26300
  102   103   104    35.00000  130.70000
  102   103   105    80.00000  111.29200
  102   107   106    70.00000  110.00000
  103   105   106   120.00000   89.04400
  105   103   104    40.00000  122.38200
  105   106   107    80.00000  114.57700
  105   106   108    65.00000  125.49400
  106   108   109    45.00000  109.19200
  106   108   110    45.00000  109.19200
  106   108   111    45.00000  109.19200
  107   102   103    70.00000  111.00000
  108   106   107    65.00000  125.57700
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   98    95    96    70.00000  124.00000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   85    72    73    35.00000  109.50000
   85    72    82    50.00000  109.50000
   74    71    72    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    71    72    58.35000  112.70000
   78    71    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   67    61    62    37.50000  110.70000
   67    61    65    63.00000  111.10000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   63    55    56    35.00000  109.50000
   63    55    61    50.00000  109.50000
   57    53    54    37.50000  110.70000
   57    53    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
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   43    33    40    92   0.56750  1.0 1.0
   43    33    40    92  -0.07550 -1.0 2.0
   43    33    40    92   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   61    71    65    66  10.50000 -1.0 2.0
   82    89    87    88  10.50000 -1.0 2.0
   90    98    95    96  15.00000 -1.0 2.0
  102    97    96    95  15.00000 -1.0 2.0
  103   107   102    96   4.00000 -1.0 2.0
  105   104   103   102   1.10000 -1.0 2.0
  108   107   106   105   4.00000 -1.0 2.0
END
