* LIGAND DATABASE FILE (OPLS2005)
*
001     113   114    216    324     643
    1     0 S   NP   _N1_     1    28.78552    94.71841   -25.45175
    2     1 S   H    _HN1     2     1.02782   111.62913   -79.19469
    3     1 S   H    _H1_     3     1.02952    77.00435    25.63930
    4     1 S   H    _H2_     4     1.02829    30.94129  -168.11570
    5     1 S   CT   _CA1     5     1.50105   129.82358   131.50870
    6     5 S   HC   _HA1     6     1.09573   105.22493    87.77259
    7     5 S   CO3  _C1_     7     1.53803   112.41691   -32.49093
    8     7 S   O2Z  _O11     8     1.26369   115.01168   -43.59927
    9     7 S   O2Z  _O12     9     1.26241   114.94418   135.59006
   10     5 S   CT   _CB1    10     1.53090   107.42813  -154.25149
   11    10 S   HC   HB11    11     1.09828   109.41406   -50.04218
   12    10 S   HC   HB12    12     1.09816   110.42484    66.56977
   13    10 S   CT   _CG1    13     1.52975   112.58043  -171.05710
   14    13 S   HC   HG11    14     1.09592   110.54348   -64.02764
   15    13 S   HC   HG12    15     1.09665   109.87913    55.18946
   16    13 S   C    _CD1    16     1.51793   112.32829   175.63632
   17    16 S   O    _OE1    17     1.22721   123.33003     2.43903
   18    16 S   N    _N2_    18     1.38638   111.57991  -177.64333
   19    18 S   H    _HN2    19     1.01587   118.94008     1.91765
   20    18 S   CT1  _CA2    20     1.46190   123.42185   178.80450
   21    20 S   HC   _HA2    21     1.09733   109.40230    -2.15013
   22    20 S   C    _C2_    22     1.53457   108.54108  -117.67873
   23    22 S   O    _O2_    23     1.23045   122.30949  -147.98991
   24    20 S   CT   _CB2    32     1.53315   111.42862   119.87234
   25    24 S   HC   HB21    33     1.09512   109.94992    56.18928
   26    24 S   HC   HB22    34     1.09522   110.31788   175.13305
   27    22 S   N    _N3_    24     1.38344   113.60882    39.48439
   28    27 S   H    _HN3    25     1.01614   119.55046    -3.51368
   29    24 S   S    _SG2    35     1.82902   111.43231   -65.39012
   30    27 S   CT   _CA3    26     1.45290   123.15376   177.02428
   31    30 S   HC   HA31    27     1.09551   107.52226   -64.02132
   32    30 S   HC   HA32    28     1.09558   107.95725    52.39473
   33    29 S   CT   _C8_    36     1.84832    99.78323   173.68897
   34    33 S   HC   _H4_    37     1.09795   104.44471    31.58513
   35    30 S   CO3  _C3_    29     1.52945   114.12109   174.37939
   36    35 S   O2Z  _O31    30     1.26369   116.06484    -0.78534
   37    35 S   O2Z  _O32    31     1.26430   114.41063   179.27503
   38    33 S   CT   _C9_    38     1.54260   108.56546   -82.41603
   39    38 S   HC   _H18    39     1.09663   110.21570    36.29143
   40    38 S   HC   _H19    40     1.09010   111.03654   -81.55301
   41    33 S   CT   _C7_    59     1.57480   113.71588   146.24633
   42    38 S   CO4  _C10    41     1.52751   113.96911   153.45728
   43    42 S   O    _O33    42     1.23327   121.87667   -14.35135
   44    41 S   CT   _C28    60     1.54568   110.24197   -57.97987
   45    44 S   HC   _H44    61     1.09674   110.67396  -169.63082
   46    44 S   HC   _H45    62     1.09275   113.21240    69.07812
   47    44 S   HC   _H46    63     1.09656   110.71422   -52.64002
   48    41 S   OH   _O39    64     1.44522   107.55733  -171.04691
   49    48 S   HO   _H47    65     0.97328   108.49505    47.91822
   50    42 S   CT   _C11    43     1.52987   118.40090   167.99091
   51    50 S   HC   _H5_    44     1.09654   106.82144   171.70483
   52    50 S   CT   _C12    45     1.53703   112.29373   -68.47973
   53    52 S   HC   _H20    46     1.09344   108.30498    63.93406
   54    52 S   HC   _H21    47     1.09809   108.67854   178.42517
   55    50 S   CT   _C27   110     1.52814   110.54193    56.01111
   56    55 S   HC   _H41   111     1.09527   111.73385   -69.25654
   57    55 S   HC   _H42   112     1.09514   110.60993   170.73581
   58    55 S   HC   _H43   113     1.09538   110.90323    50.91868
   59    52 S   CT   _C13    48     1.54887   114.62037   -59.30794
   60    59 S   HC   _H6_    49     1.09441   109.32346    49.44769
   61    59 S   CT   _C14    50     1.56004   112.60447   169.13057
   62    61 S   HC   _H7_    51     1.09927   107.84931   174.78966
   63    59 S   CT   _C26   106     1.53587   110.39349   -67.28122
   64    63 S   HC   _H38   107     1.09472   111.62534   -54.85908
   65    63 S   HC   _H39   108     1.09524   110.81505  -175.64270
   66    63 S   HC   _H40   109     1.09416   111.21913    65.70014
   67    61 S   CT   _C15    52     1.54781   113.02017   -65.49405
   68    67 S   HC   _H8_    53     1.09576   110.37080    62.16404
   69    61 S   OS   _O36    77     1.43526   108.19232    55.14841
   70    67 S   CO4  _C16    54     1.51834   110.72155   -58.95118
   71    70 S   O    _O34    55     1.22416   123.83057   -71.21998
   72    67 S   CT   _C17    73     1.53141   112.92589   179.81762
   73    72 S   HC   _H22    74     1.09544   111.43631    54.72416
   74    72 S   HC   _H23    75     1.09393   111.16306   -66.31934
   75    72 S   HC   _H24    76     1.09600   110.75713   174.22260
   76    69 S   CO   _C18    78     1.43444   114.20278   126.07054
   77    76 S   HC   _H9_    79     1.09695   108.72557    52.79465
   78    70 S   OS   _O35    56     1.36498   109.83336   109.19975
   79    76 S   CT   _C19    80     1.53777   107.13446   171.98408
   80    79 S   HC   _H10    81     1.09517   108.66854    52.77859
   81    78 S   CT   _C6_    57     1.45062   118.35726   174.37852
   82    81 S   HC   _H3_    58     1.09839   108.63706    -6.29382
   83    79 S   CT   _C20    82     1.53539   110.34681   174.63776
   84    83 S   HC   _H11    83     1.09840   107.84653    68.95923
   85    79 S   OH   _O38   104     1.42846   110.55620   -64.41587
   86    85 S   HO   _H37   105     0.97268   108.41345   -51.00128
   87    81 S   CT   _C5_    66     1.53530   106.77593  -121.47495
   88    87 S   HC   _H16    67     1.09386   110.93348  -172.69416
   89    87 S   HC   _H17    68     1.09486   110.18244   -52.31021
   90    83 S   CT   _C21    84     1.52745   111.37959   -51.17327
   91    90 S   HC   _H25    85     1.09523   111.02308   174.48957
   92    90 S   HC   _H26    86     1.09651   109.94817   -66.25763
   93    83 S   NP   _N4_    94     1.52712   110.20001  -177.06342
   94    93 S   H    _H30    95     1.03037   104.85281   -42.57657
   95    87 S   CT   _C4_    69     1.52663   112.05021    66.49135
   96    95 S   HC   _H13    70     1.09431   111.46524   -62.23230
   97    95 S   HC   _H14    71     1.09472   110.04325   178.25841
   98    95 S   HC   _H15    72     1.09459   110.99184    58.73216
   99    90 S   CT   _C22    87     1.53079   109.23593    52.77297
  100    99 S   HC   _H12    88     1.09734   110.60365    62.54262
  101    93 S   CT   _C24    96     1.50615   116.38819    73.57086
  102   101 S   HC   _H31    97     1.09270   108.99436    70.95792
  103   101 S   HC   _H32    98     1.09370   107.66865  -169.45111
  104   101 S   HC   _H33    99     1.09097   109.07794   -50.82305
  105    93 S   CT   _C25   100     1.50763   112.64665  -156.68098
  106   105 S   HC   _H34   101     1.09253   108.82419   -67.29044
  107   105 S   HC   _H35   102     1.09303   108.26608    53.70640
  108   105 S   HC   _H36   103     1.09340   107.98953   172.35076
  109    76 S   OS   _O37    89     1.42922   111.08131   -68.05084
  110    99 S   CT   _C23    90     1.52232   111.13821  -176.60564
  111   110 S   HC   _H27    91     1.09567   111.06497    61.10073
  112   110 S   HC   _H28    92     1.09413   111.33719   -60.28203
  113   110 S   HC   _H29    93     1.09546   110.30751   179.06455
  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
  18   8   2   1   1  12   5   4  15  11   4   9   4   3   2   5
   1  12   8  16   6   5   4   2   1   1  13   8  19   7   5   2
   1   1  11   8  10   9   3   4   2   1   1  13   6   6  14   7
   8   4  20   9   4   1   6   5   4  13   6   5  10   8   3   2
   1   1   6   5   7   3   2   1   3   2   1   1   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    81    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    50    78    81    82    41    44    45    46    47    48    49    87  
   38    39    40    42    81    41    44    48  
   36    37  
   37  
    0  
   39    40    42    43    50    51    52    81    41    44    48    55  
   40    42    43    50    41  
   42    43    50    41  
   44    45    46    47    48    49    87    88    89    95    42    70    78    81    82  
   43    50    51    52    53    54    59    55    56    57    58  
   50    51    52    55  
   45    46    47    48    49    87    78    81    82  
   46    47    48    81  
   47    48    81  
   48    81  
   49    87    78    81    82  
   81  
   51    52    53    54    59    60    61    63    55    56    57    58  
   52    53    54    59    55    56    57    58  
   53    54    59    60    61    62    67    69    63    64    65    66    55    56    57    58  
   54    59    60    61    63    55  
   59    60    61    63    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    67    68    70    72    69    76    63    64    65    66  
   61    62    67    69    63    64    65    66  
   62    67    68    70    71    78    72    73    74    75    69    76    77    79   109    63    64    65    66  
   67    68    70    72    69    76    63  
   64    65    66    67    69  
   65    66  
   66  
    0  
   68    70    71    78    81    72    73    74    75    69    76  
   70    71    78    72    73    74    75    69  
   76    77    79    80    83    99   109    85    70    72  
   71    78    81    82    87    72    73    74    75  
   78    81    72  
   73    74    75    78  
   74    75  
   75  
    0  
   77    79    80    83    84    90    99   100   109   110    93    85    86  
   79    80    83    99   109    85  
   81    82    87    88    89    95  
   80    83    84    90    91    92    99   109    93    94   101   105    85    86  
   83    84    90   109    93    85    86  
   82    87    88    89    95    96    97    98  
   87    88    89    95  
   84    90    91    92    99   100   109   110    93    94   101   102   103   104   105   106   107   108    85    86  
   90    91    92    99    93    94   101   105    85  
   86    90    93   109  
    0  
   88    89    95    96    97    98  
   89    95    96    97    98  
   95    96    97    98  
   91    92    99   100   109   110   111   112   113    93    94   101   105  
   92    99   100   109   110    93  
   99   100   109   110    93  
   94   101   102   103   104   105   106   107   108    99  
  101   102   103   104   105   106   107   108  
   96    97    98  
   97    98  
   98  
    0  
  100   109   110   111   112   113  
  109   110   111   112   113  
  102   103   104   105   106   107   108  
  103   104   105  
  104   105  
  105  
  106   107   108  
  107   108  
  108  
    0  
  110   111   112   113  
  111   112   113  
  112   113  
  113  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.6450   1.4500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   93   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   94   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
  101   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  109   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  113   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.522
   42    43   570.000  1.229
   42    50   317.000  1.522
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    69   320.000  1.410
   67    68   340.000  1.090
   67    70   317.000  1.522
   67    72   268.000  1.529
   70    71   570.000  1.229
   70    78   214.000  1.327
   78    81   320.000  1.410
   81    82   340.000  1.090
   81    41   268.000  1.529
   81    87   268.000  1.529
   41    44   268.000  1.529
   41    48   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   553.000  0.945
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   69    76   320.000  1.380
   76    77   340.000  1.090
   76    79   250.000  1.527
   76   109   320.000  1.380
   79    80   340.000  1.090
   79    83   268.000  1.529
   79    85   320.000  1.410
   83    84   340.000  1.090
   83    90   268.000  1.529
   83    93   367.000  1.471
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    99   268.000  1.529
   99   100   340.000  1.090
   99   109   320.000  1.410
   99   110   268.000  1.529
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   93    94   434.000  1.010
   93   101   367.000  1.471
   93   105   367.000  1.471
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   85    86   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    41    81    58.35000  112.70000
   33    41    44    58.35000  112.70000
   33    41    48    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    80.00000  120.40000
   38    42    50    70.00000  116.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    50    51    35.00000  109.50000
   42    50    52    63.00000  111.10000
   42    50    55    63.00000  111.10000
   50    42    43    80.00000  120.40000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    59    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    58.35000  112.70000
   52    59    63    58.35000  112.70000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    67    58.35000  112.70000
   59    61    69    50.00000  109.50000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    66    37.50000  110.70000
   61    59    60    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    70    63.00000  111.10000
   61    67    72    58.35000  112.70000
   61    69    76    60.00000  109.50000
   67    61    62    37.50000  110.70000
   67    70    71    80.00000  120.40000
   67    70    78    81.00000  111.40000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   70    67    68    35.00000  109.50000
   70    78    81    83.00000  116.90000
   78    70    71    83.00000  123.40000
   78    81    82    35.00000  109.50000
   78    81    41    50.00000  109.50000
   78    81    87    50.00000  109.50000
   81    41    44    58.35000  112.70000
   81    41    48    50.00000  109.50000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    95    58.35000  112.70000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    81    82    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    55.00000  108.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    44    50.00000  109.50000
   87    81    82    37.50000  110.70000
   87    81    41    58.35000  112.70000
   87    95    96    37.50000  110.70000
   87    95    97    37.50000  110.70000
   87    95    98    37.50000  110.70000
   89    87    88    33.00000  107.80000
   95    87    88    37.50000  110.70000
   95    87    89    37.50000  110.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    70    63.00000  111.10000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   69    61    62    35.00000  109.50000
   69    61    67    50.00000  109.50000
   69    76    77    35.00000  109.50000
   69    76    79    90.00000  108.56700
   69    76   109    92.60000  111.55000
   76    79    80    45.00000  108.72000
   76    79    83    75.00000  109.43000
   76    79    85    90.00000  111.58700
   76   109    99    60.00000  109.50000
   79    76    77    45.00000  112.01100
   79    83    84    37.50000  110.70000
   79    83    90    58.35000  112.70000
   79    83    93    80.00000  111.20000
   79    85    86    55.00000  108.50000
   83    79    80    37.50000  110.70000
   83    90    91    37.50000  110.70000
   83    90    92    37.50000  110.70000
   83    90    99    58.35000  112.70000
   83    93    94    35.00000  109.50000
   83    93   101    75.00000  113.01200
   83    93   105    75.00000  113.01200
   90    83    84    37.50000  110.70000
   90    99   100    37.50000  110.70000
   90    99   109    50.00000  109.50000
   90    99   110    58.35000  112.70000
   92    90    91    33.00000  107.80000
   99    90    91    37.50000  110.70000
   99    90    92    37.50000  110.70000
   99   110   111    37.50000  110.70000
   99   110   112    37.50000  110.70000
   99   110   113    37.50000  110.70000
  109    76    77    35.00000  109.50000
  109    76    79    90.00000  108.56700
  109    99   100    35.00000  109.50000
  110    99   100    37.50000  110.70000
  110    99   109    50.00000  109.50000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   93    83    84    35.00000  109.50000
   93    83    90    80.00000  111.20000
   93   101   102    35.00000  109.50000
   93   101   103    35.00000  109.50000
   93   101   104    35.00000  109.50000
   93   105   106    35.00000  109.50000
   93   105   107    35.00000  109.50000
   93   105   108    35.00000  109.50000
  101    93    94    35.00000  109.50000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
  105    93    94    35.00000  109.50000
  105    93   101    75.00000  113.01200
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   85    79    80    35.00000  109.50000
   85    79    83    50.00000  109.50000
   63    59    60    37.50000  110.70000
   63    59    61    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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
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   92    90    99   110   0.15000  1.0 3.0
  100    99   109    76   0.37050  1.0 3.0
  100    99   110   111   0.15000  1.0 3.0
  100    99   110   112   0.15000  1.0 3.0
  100    99   110   113   0.15000  1.0 3.0
  109    76    79    80   0.23400  1.0 3.0
  109    76   -79    83   0.62750  1.0 1.0
  109    76   -79    83  -0.30950 -1.0 2.0
  109    76   -79    83   0.27300  1.0 3.0
  109    76    79    85   3.69350  1.0 1.0
  109    76    79    85  -1.82950 -1.0 2.0
  109    99   110   111   0.23400  1.0 3.0
  109    99   110   112   0.23400  1.0 3.0
  109    99   110   113   0.23400  1.0 3.0
  110    99   109    76   0.06250  1.0 1.0
  110    99   109    76  -0.01100 -1.0 2.0
  110    99   109    76   0.28050  1.0 3.0
   93    83    90    91   0.19200  1.0 3.0
   93    83    90    92   0.19200  1.0 3.0
   93    83    90    99   1.36600  1.0 1.0
   93    83    90    99  -0.11450 -1.0 2.0
   93    83    90    99   0.24250  1.0 3.0
   94    93   101   102   0.13050  1.0 3.0
   94    93   101   103   0.13050  1.0 3.0
   94    93   101   104   0.13050  1.0 3.0
   94    93   105   106   0.13050  1.0 3.0
   94    93   105   107   0.13050  1.0 3.0
   94    93   105   108   0.13050  1.0 3.0
  101    93   105   106   0.15000  1.0 3.0
  101    93   105   107   0.15000  1.0 3.0
  101    93   105   108   0.15000  1.0 3.0
  105    93   101   102   0.15000  1.0 3.0
  105    93   101   103   0.15000  1.0 3.0
  105    93   101   104   0.15000  1.0 3.0
   85    79    83    84   0.23400  1.0 3.0
   85    79    83    90   0.86500  1.0 1.0
   85    79    83    90  -0.17500 -1.0 2.0
   85    79    83    90   0.20800  1.0 3.0
   85    79    83    93   1.69300  1.0 1.0
   85    79    83    93  -0.48450 -1.0 2.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    67   0.56750  1.0 1.0
   63    59    61    67  -0.07550 -1.0 2.0
   63    59    61    67   0.20000  1.0 3.0
   63    59    61    69   0.62750  1.0 1.0
   63    59    61    69  -0.30950 -1.0 2.0
   63    59    61    69   0.27300  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    59   0.56750  1.0 1.0
   55    50    52    59  -0.07550 -1.0 2.0
   55    50    52    59   0.20000  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
   36    30    35    37  10.50000 -1.0 2.0
   38    50    42    43  10.50000 -1.0 2.0
   67    78    70    71  10.50000 -1.0 2.0
END
