* LIGAND DATABASE FILE (OPLS2005)
*
001     101   104    200    311     584
    1     0 S   NP   _N1_     1    28.92112    94.86140   -18.83017
    2     1 S   H    _HN1     2     1.02961    95.62997    35.72483
    3     1 S   H    _H1_     3     1.02837    39.82894   145.66054
    4     1 S   H    _H2_     4     1.02776    76.00115   -71.80935
    5     1 S   CT   _CA1     5     1.50115   147.16526   178.69404
    6     5 S   HC   _HA1     6     1.09571   105.24660    37.20971
    7     5 S   CO3  _C1_     7     1.53804   112.40124   -83.02388
    8     7 S   O2Z  _O11     8     1.26365   114.98747   -42.80131
    9     7 S   O2Z  _O12     9     1.26240   114.95570   136.50512
   10     5 S   CT   _CB1    10     1.53119   107.43361   155.17616
   11    10 S   HC   HB11    11     1.09818   109.41288   -50.35094
   12    10 S   HC   HB12    12     1.09821   110.38001    66.24981
   13    10 S   CT   _CG1    13     1.52969   112.63140  -171.46116
   14    13 S   HC   HG11    14     1.09554   110.29710   -62.72379
   15    13 S   HC   HG12    15     1.09641   110.06945    56.44077
   16    13 S   C    _CD1    16     1.51819   112.41954   176.90554
   17    16 S   O    _OE1    17     1.22703   123.30760    -4.65004
   18    16 S   N    _N2_    18     1.38580   111.52835   175.48447
   19    18 S   H    _HN2    19     1.01578   118.88441     1.75279
   20    18 S   CT1  _CA2    20     1.46237   123.64031  -178.03676
   21    20 S   HC   _HA2    21     1.09730   109.38172   -16.03192
   22    20 S   C    _C2_    22     1.53422   108.10406  -131.72641
   23    22 S   O    _O2_    23     1.23004   122.29476  -145.27046
   24    20 S   CT   _CB2    32     1.53542   111.26062   106.29171
   25    24 S   HC   HB21    33     1.09405   109.37727    52.99697
   26    24 S   HC   HB22    34     1.09480   110.46711   171.69830
   27    22 S   N    _N3_    24     1.38521   113.30173    42.04581
   28    27 S   H    _HN3    25     1.01533   118.91671    -0.53155
   29    24 S   S    _SG2    35     1.82903   111.52798   -68.98464
   30    27 S   CT   _CA3    26     1.45452   123.45290   175.11288
   31    30 S   HC   HA31    27     1.09523   109.24316    24.19001
   32    30 S   HC   HA32    28     1.09495   107.11785   141.20407
   33    29 S   CT   _C20    36     1.83868   101.16610   161.66596
   34    30 S   CO3  _C3_    29     1.52930   113.11885   -99.28623
   35    34 S   O2Z  _O31    30     1.26402   115.41202   -43.96888
   36    34 S   O2Z  _O32    31     1.26355   114.97457   136.95573
   37    33 S   CT   _C7_    37     1.53023   109.17721   165.73951
   38    37 S   HC   _H33    38     1.09182   113.56121    91.22024
   39    37 S   HC   _H34    39     1.09600   113.38340   -35.03345
   40    33 S   CT   _C27    46     1.56024   112.99896   -69.95793
   41    40 S   HC   _H66    47     1.09434   107.99204  -173.48808
   42    40 S   HC   _H67    48     1.09558   108.81415    72.50083
   43    37 S   CO4  _C4_    40     1.50123   102.46481  -150.15506
   44    43 S   O    _O25    41     1.22076   125.57098  -161.13896
   45    40 S   CT   _C26    49     1.54176   115.78285   -50.15914
   46    45 S   HC   _H64    50     1.09619   107.97359    66.18235
   47    45 S   HC   _H65    51     1.09471   109.68466   -46.73661
   48    43 S   OS   _O28    42     1.36582   109.73133    20.47249
   49    45 S   CT   _C19    52     1.58138   117.07456  -171.53893
   50    33 S   CT   _C13    43     1.52677   111.93977    55.55883
   51    50 S   HC   _H45    44     1.09471   113.02970   -90.97769
   52    50 S   HC   _H46    45     1.09636   113.67887    33.29187
   53    49 S   CT   _C14    53     1.58757   111.00143    60.84786
   54    53 S   HC   _H47    54     1.09986   104.73037   -57.45074
   55    49 S   CT   _C15    75     1.57081   110.10405   -59.26321
   56    55 S   HC   _H48    76     1.09796   107.80925    56.43414
   57    49 S   CT   _C24    98     1.55081   104.25840  -178.03696
   58    57 S   HC   _H59    99     1.09623   110.98576    45.30196
   59    57 S   HC   _H60   100     1.09356   112.04747   -73.19950
   60    57 S   HC   _H61   101     1.08868   113.43301   163.84994
   61    53 S   CT   _C9_    55     1.55296   114.20598    56.35292
   62    61 S   HC   _H37    56     1.09407   111.14180    68.74290
   63    61 S   HC   _H38    57     1.09302   110.88206   -49.41026
   64    55 S   CT   _C23    77     1.53493   114.77969   -61.80088
   65    64 S   HC   _H56    78     1.09411   111.96942   -63.08602
   66    64 S   HC   _H57    79     1.09599   110.39601   177.44825
   67    64 S   HC   _H58    80     1.09211   111.67570    58.96466
   68    61 S   CT   _C8_    58     1.53075   112.22083  -168.59970
   69    68 S   HC   _H35    59     1.09759   108.79663    67.31518
   70    68 S   HC   _H36    60     1.09587   109.68756  -176.15926
   71    68 S   CT   _C10    61     1.52138   112.27090   -53.82286
   72    71 S   HC   _H39    62     1.09693   109.02907   175.03765
   73    71 S   HC   _H40    63     1.09527   110.32603   -68.99060
   74    71 S   C3T  _C18    64     1.50712   109.86403    53.07600
   75    74 S   C3T  _C12    65     1.52218   116.82034    99.67900
   76    75 S   HC   _H43    66     1.07952   121.65425  -152.72116
   77    75 S   HC   _H44    67     1.08414   118.71726    -3.61070
   78    53 S   CT   _C17    69     1.59114   116.99877  -171.02817
   79    74 S   O3T  _O29    68     1.43587   113.69177   164.21825
   80    78 S   CT   _C16    70     1.56365   107.55876    50.74970
   81    80 S   HC   _H49    71     1.09565   109.10379    65.38595
   82    78 S   CT   _C25    88     1.56587   113.11030   -71.67498
   83    82 S   HC   _H62    89     1.08877   111.46926    72.09356
   84    82 S   HC   _H63    90     1.09340   111.75311   -48.84268
   85    80 S   CT   _C11    72     1.53198   112.95018   -53.37272
   86    85 S   HC   _H41    73     1.09547   111.01227   -66.18895
   87    85 S   HC   _H42    74     1.09856   108.38632   179.84423
   88    80 S   OS   _O30    81     1.44426   110.43344  -174.06955
   89    82 S   OS   _O33    91     1.44222   110.96788  -169.28671
   90    88 S   CO4  _C5_    82     1.36136   118.08424  -147.73234
   91    90 S   O    _O26    83     1.22302   126.53385    -0.92704
   92    89 S   CO4  _C6_    92     1.36111   116.17857   179.34002
   93    92 S   O    _O27    93     1.22310   126.31304    -0.53155
   94    90 S   CT   _C21    84     1.49835   109.33020   179.01961
   95    94 S   HC   _H50    85     1.09303   109.79813   -60.58304
   96    94 S   HC   _H51    86     1.09372   109.38107  -179.63577
   97    94 S   HC   _H52    87     1.09291   109.82277    61.25428
   98    92 S   CT   _C22    94     1.49821   109.45791   179.45464
   99    98 S   HC   _H53    95     1.09304   109.81140   -60.40988
  100    98 S   HC   _H54    96     1.09374   109.37572  -179.45285
  101    98 S   HC   _H55    97     1.09290   109.81303    61.44166
  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
  16   2   1   1  12   6   5  14   6   5   5   2  16   5   4   3
  23   2   1   1  27  10  17   9   7   2   1   1  12   6   5   7
   3   2   1   9   5   4  10   5   4  13   6   3   2  13   2  12
   6   8   3   2   4   2   1   6   6   5   4   5   4   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    50    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    50    51    52    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    48    50    51    52    40    41    42    45    46    47    49  
   35    36  
   36  
    0  
   38    39    43    44    48    50    51    52    40    41    42    45  
   39    43    44    48    50    40  
   43    44    48    50    40  
   41    42    45    46    47    49    53    55    57    43    48    50    51    52  
   42    45    46    47    49    50  
   45    46    47    49    50  
   44    48    50    51    52  
   48    50  
   46    47    49    53    54    61    78    85    55    56    64    57    58    59    60    50  
   47    49    53    55    57  
   49    53    55    57  
   50    51    52  
   53    54    61    62    63    68    74    78    80    85    86    87    55    56    64    65    66    67    82    57    58    59    60  
   51    52  
   52  
    0  
   54    61    62    63    68    69    70    71    74    75    79    78    80    81    85    55    56    64    88    82    83    84    89    57    58    59    60  
   61    62    63    68    74    78    80    55    82    57  
   56    64    65    66    67    88    57    58    59    60    61    78    80    81    85    86    87  
   64    65    66    67    57    80    85    86    87  
   58    59    60    61    64    78    85  
   59    60  
   60  
    0  
   62    63    68    69    70    71    72    73    74    78    80    82  
   63    68    69    70    71    78  
   68    69    70    71    78  
   65    66    67    80    85    86    87  
   66    67    85  
   67    85  
   85  
   69    70    71    72    73    74    75    79    78  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74    75    76    77    79    78    80    82  
   73    74    75    79    78  
   74    75    79    78  
   75    76    77    79    78    80    81    85    88    82    83    84    89  
   76    77    79    78    80    82  
   77    79    78  
   79    78  
   80    81    85    86    87    88    90    82    83    84    89    92    79  
   80    82  
   81    85    86    87    88    90    91    94    82    83    84    89  
   85    86    87    88    90    82  
   83    84    89    92    93    98    85    88  
   84    89    92  
   89    92  
   86    87    88    90  
   87    88  
   88  
   90    91    94    95    96    97  
   92    93    98    99   100   101  
   91    94    95    96    97  
   94    95    96    97  
   93    98    99   100   101  
   98    99   100   101  
   95    96    97  
   96    97  
   97  
    0  
   99   100   101  
  100   101  
  101  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.030000   1.3810   1.2100   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  -0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   80   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   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    50   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   268.000  1.529
   49    53   268.000  1.529
   49    55   268.000  1.529
   49    57   268.000  1.529
   53    54   340.000  1.090
   53    61   268.000  1.529
   53    78   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   275.000  1.510
   74    75   260.000  1.509
   74    79   335.000  1.432
   74    78   275.000  1.510
   75    76   340.000  1.088
   75    77   340.000  1.088
   75    79   335.000  1.432
   78    80   268.000  1.529
   78    82   268.000  1.529
   80    81   340.000  1.090
   80    85   268.000  1.529
   80    88   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    55   268.000  1.529
   55    56   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   88    90   214.000  1.327
   90    91   570.000  1.229
   90    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    89   320.000  1.410
   89    92   214.000  1.327
   92    93   570.000  1.229
   92    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    50    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    50    48    50.00000  109.50000
   33    50    51    37.50000  110.70000
   33    50    52    37.50000  110.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    58.35000  112.70000
   37    43    44    80.00000  120.40000
   37    43    48    81.00000  111.40000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    48    50    83.00000  116.90000
   48    43    44    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   50    33    37    58.35000  112.70000
   52    50    51    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    50    58.35000  112.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    49    58.35000  112.70000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    49    53    58.35000  112.70000
   45    49    55    58.35000  112.70000
   45    49    57    58.35000  112.70000
   47    45    46    33.00000  107.80000
   49    45    46    37.50000  110.70000
   49    45    47    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    61    58.35000  112.70000
   49    53    78    58.35000  112.70000
   49    55    85    58.35000  112.70000
   49    55    56    37.50000  110.70000
   49    55    64    58.35000  112.70000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    60    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    68    58.35000  112.70000
   53    78    74    70.00000  112.37300
   53    78    80    58.35000  112.70000
   53    78    82    58.35000  112.70000
   61    53    54    37.50000  110.70000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    58.35000  112.70000
   63    61    62    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    63    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    70.00000  112.37300
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    74    75    60.00000  120.94000
   71    74    79    80.00000  116.47100
   71    74    78    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    45.00000  109.38400
   74    71    73    45.00000  109.38400
   74    75    76    37.50000  117.20000
   74    75    77    37.50000  117.20000
   74    75    79    15.00000   60.43100
   74    79    75    15.00000   59.14900
   74    78    80    70.00000  112.37300
   74    78    82    70.00000  112.37300
   77    75    76    35.00000  114.30000
   79    74    75    15.00000   60.43100
   79    75    76    50.00000  114.27700
   79    75    77    50.00000  114.27700
   78    53    54    37.50000  110.70000
   78    53    61    58.35000  112.70000
   78    74    75    60.00000  120.94000
   78    74    79    80.00000  116.47100
   78    80    81    37.50000  110.70000
   78    80    85    58.35000  112.70000
   78    80    88    50.00000  109.50000
   78    82    83    37.50000  110.70000
   78    82    84    37.50000  110.70000
   78    82    89    50.00000  109.50000
   80    85    86    37.50000  110.70000
   80    85    87    37.50000  110.70000
   80    85    55    58.35000  112.70000
   80    88    90    83.00000  116.90000
   85    80    81    37.50000  110.70000
   85    55    56    37.50000  110.70000
   85    55    64    58.35000  112.70000
   87    85    86    33.00000  107.80000
   55    49    53    58.35000  112.70000
   55    85    86    37.50000  110.70000
   55    85    87    37.50000  110.70000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    67    37.50000  110.70000
   64    55    56    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   88    80    81    35.00000  109.50000
   88    80    85    50.00000  109.50000
   88    90    91    83.00000  123.40000
   88    90    94    81.00000  111.40000
   90    94    95    35.00000  109.50000
   90    94    96    35.00000  109.50000
   90    94    97    35.00000  109.50000
   94    90    91    80.00000  120.40000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   82    78    80    58.35000  112.70000
   82    89    92    83.00000  116.90000
   84    82    83    33.00000  107.80000
   89    82    83    35.00000  109.50000
   89    82    84    35.00000  109.50000
   89    92    93    83.00000  123.40000
   89    92    98    81.00000  111.40000
   92    98    99    35.00000  109.50000
   92    98   100    35.00000  109.50000
   92    98   101    35.00000  109.50000
   98    92    93    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   57    49    53    58.35000  112.70000
   57    49    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
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
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
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   57    49    55    85   0.20000  1.0 3.0
   57    49    55    56   0.15000  1.0 3.0
   57    49    55    64   0.56750  1.0 1.0
   57    49    55    64  -0.07550 -1.0 2.0
   57    49    55    64   0.20000  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
   37    48    43    44  10.50000 -1.0 2.0
   88    94    90    91  10.50000 -1.0 2.0
   89    98    92    93  10.50000 -1.0 2.0
END
