* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    199    319     591
    1     0 S   NP   _N1_     1    28.70987    94.06494   -21.16287
    2     1 S   H    _HN1     2     1.02783    87.10645   -90.58501
    3     1 S   H    _H1_     3     1.02960    93.48716    17.57692
    4     1 S   H    _H2_     4     1.02841    30.62137   135.92050
    5     1 S   CT   _CA1     5     1.50084   141.04126   146.76370
    6     5 S   HC   _HA1     6     1.09565   105.32449    53.35349
    7     5 S   CO3  _C1_     7     1.53848   112.27557   -67.09817
    8     7 S   O2Z  _O11     8     1.26367   115.03441   -46.80517
    9     7 S   O2Z  _O12     9     1.26233   114.92044   132.50092
   10     5 S   CT   _CB1    10     1.53078   107.45633   171.40847
   11    10 S   HC   HB11    11     1.09823   109.65336   -49.90097
   12    10 S   HC   HB12    12     1.09783   110.22815    66.61654
   13    10 S   CT   _CG1    13     1.53004   112.57974  -170.90258
   14    13 S   HC   HG11    14     1.09532   110.51923   -58.11395
   15    13 S   HC   HG12    15     1.09630   110.01800    61.08685
   16    13 S   C    _CD1    16     1.51738   112.24767  -178.26134
   17    16 S   O    _OE1    17     1.22725   123.21375    -3.50196
   18    16 S   N    _N2_    18     1.38657   111.65709   176.22332
   19    18 S   H    _HN2    19     1.01575   119.12142     2.61487
   20    18 S   CT1  _CA2    20     1.46223   123.24480  -177.05609
   21    20 S   HC   _HA2    21     1.09739   109.33714    -7.51016
   22    20 S   C    _C2_    22     1.53400   108.64319  -123.28462
   23    22 S   O    _O2_    23     1.23027   122.13999  -146.29457
   24    20 S   CT   _CB2    32     1.53742   111.56672   114.20441
   25    24 S   HC   HB21    33     1.09435   109.13019    58.94432
   26    24 S   HC   HB22    34     1.09259   109.54772   177.24494
   27    22 S   N    _N3_    24     1.38471   113.45878    41.05870
   28    27 S   H    _HN3    25     1.01517   118.93135    -0.64285
   29    24 S   S    _SG2    35     1.83140   110.92294   -61.47837
   30    27 S   CT   _CA3    26     1.45456   123.51132   175.11232
   31    30 S   HC   HA31    27     1.09518   109.33373    22.67189
   32    30 S   HC   HA32    28     1.09498   107.10394   139.69045
   33    29 S   CT   _C21    36     1.88036   103.65050  -171.50632
   34    30 S   CO3  _C3_    29     1.52917   113.02180  -100.86917
   35    34 S   O2Z  _O31    30     1.26406   115.36292   -45.50807
   36    34 S   O2Z  _O32    31     1.26348   115.01160   135.40324
   37    33 S   CT   _C20    37     1.55719   110.89066   -41.57241
   38    37 S   HC   _H25    38     1.09642   111.21733    97.67168
   39    37 S   HC   _H26    39     1.09577   111.34036   -21.99600
   40    33 S   CT   _C22    96     1.56491   103.98283    74.17739
   41    40 S   HC   _H27    97     1.09472   111.88354   -52.31143
   42    40 S   HC   _H28    98     1.09407   111.66629  -169.11608
   43    37 S   CT   _C19    40     1.53283   110.45317  -140.09670
   44    43 S   HC   _H9_    41     1.09503   109.75540  -171.44969
   45    40 S   OH   _O35    99     1.41873   112.93191    69.28895
   46    45 S   HO   _H29   100     0.97238   107.31231  -179.78511
   47    43 S   CT   _C18    42     1.52621   113.15998   -48.12269
   48    47 S   HC   _H23    43     1.09652   109.96219   -58.92522
   49    47 S   HC   _H24    44     1.09308   108.31112  -174.61173
   50    47 S   CT   _C9_    45     1.55235   110.57485    62.91661
   51    50 S   HC   _H5_    46     1.09638   105.83270  -118.51565
   52    33 S   CT   _C8_    47     1.64170   113.08465  -160.38776
   53    52 S   CT   _C7_    48     1.56075   114.73233   -45.59487
   54    53 S   HC   _H4_    49     1.09271   109.38870   -45.15534
   55    52 S   CO   _C23    86     1.58195   106.62766    77.69647
   56    55 S   HC   _H10    87     1.08822   110.21790  -175.21726
   57    53 S   CT   _C6_    50     1.53321   113.11504  -165.05055
   58    57 S   HC   _H14    51     1.09569   110.83567   -69.07905
   59    57 S   HC   _H15    52     1.09846   107.95746   177.45224
   60    53 S   OS   _O39    79     1.44685   110.99424    75.21695
   61    43 S   OS   _O36    88     1.42946   109.21446    70.92328
   62    55 S   OS   _O37    89     1.44223   111.66695   -57.09071
   63    57 S   CT   _C5_    53     1.53525   112.61772    56.81422
   64    63 S   HC   _H3_    54     1.09923   105.82884    54.84911
   65    60 S   CO4  _C26    80     1.36248   118.42117  -150.89309
   66    65 S   O    _O40    81     1.22297   126.54507    -1.13229
   67    62 S   CO4  _C24    90     1.36096   117.23982  -163.42842
   68    67 S   O    _O38    91     1.22306   126.50427    -0.26319
   69    50 S   CT   _C10    55     1.59703   114.99823   130.37240
   70    63 S   CT   _C4_    75     1.53267   108.60134   168.02100
   71    70 S   HC   _H11    76     1.09321   112.36227    71.83545
   72    70 S   HC   _H12    77     1.09633   110.65234   -47.94430
   73    70 S   HC   _H13    78     1.09213   111.28854  -165.24129
   74    65 S   CT   _C27    82     1.49889   109.31071   179.14591
   75    74 S   HC   _H33    83     1.09266   109.85694   -58.40100
   76    74 S   HC   _H34    84     1.09365   109.41250  -177.30754
   77    74 S   HC   _H35    85     1.09277   109.82105    63.39412
   78    67 S   CT   _C25    92     1.49829   109.33970   179.48414
   79    78 S   HC   _H30    93     1.09266   109.73234   -61.21597
   80    78 S   HC   _H31    94     1.09364   109.42788   179.71745
   81    78 S   HC   _H32    95     1.09295   109.84125    60.59636
   82    69 S   CT   _C12    56     1.58421   106.58860    61.85866
   83    82 S   HC   _H6_    57     1.09639   108.54310   -39.46051
   84    69 S   CT   _C11    71     1.54698   113.11142   -56.68653
   85    84 S   HC   _H16    72     1.09455   111.72030   173.86020
   86    84 S   HC   _H17    73     1.09280   112.45908    54.51421
   87    84 S   HC   _H18    74     1.08781   113.38074   -68.03848
   88    82 S   CT   _C13    58     1.52699   119.38793  -160.74660
   89    88 S   HC   _H19    59     1.09526   112.18453    79.21747
   90    88 S   HC   _H20    60     1.09121   112.16528   -41.65968
   91    82 S   OS   _O34    70     1.43860   111.17771    76.27301
   92    88 S   CT   _C14    61     1.51400   103.43986  -158.47352
   93    92 S   HC   _H7_    62     1.09485   112.43052   148.04975
   94    92 S   CM   _C15    63     1.48433   115.73579   -84.60908
   95    94 S   HC   _H21    64     1.07895   125.78243   -63.20262
   96    94 S   CM   _C16    65     1.32682   108.48908   119.20862
   97    96 S   HC   _H22    66     1.07557   128.49484   177.64831
   98    96 S   OS   _O33    67     1.37668   116.47512    -1.50623
   99    92 S   CO   _C17    68     1.53045   104.16823    25.52616
  100    99 S   HC   _H8_    69     1.09528   112.26583   108.79621
  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
  23   2   1   1  16   7   6   9   4   3  12   6   2   1  12   6
   5  22   7  16  16   7   9   3  13   6   5   7   2   6  14   7
   5   4   5   4  16   5   2   1   1   3   2   1   1   3   2   1
   1  15   7   5   2   1   1  11   6   5   7   8   6   6   4   4
   2   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    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    52    53    55    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    47    50    51    52    53    54    57    69    60    55    56    61    62    40    41    42    45    46  
   35    36  
   36  
    0  
   38    39    43    44    47    48    49    50    52    53    55    61    40    41    42    45  
   39    43    44    47    52    61    40  
   43    44    47    52    61    40  
   41    42    45    46    43    50    52    53    55  
   42    45    46    52  
   45    46    52  
   44    47    48    49    50    51    52    69    55    56    61    62  
   47    48    49    50    55    61  
   46    52  
    0  
   48    49    50    51    52    53    63    69    82    84    55    61  
   49    50    51    52    69    61  
   50    51    52    69    61  
   51    52    53    54    57    63    64    69    82    83    88    91    84    85    86    87    70    60    55    56    61    62  
   52    53    63    69    82    84    55  
   53    54    57    58    59    63    69    82    84    60    65    55    56    61    62    67  
   54    57    58    59    63    64    69    70    60    65    66    74    55    56    61    62  
   57    58    59    63    60    65    55  
   56    61    62    67    68    78    57    60    69  
   61    62    67  
   58    59    63    64    69    82    84    70    71    72    73    60    65  
   59    63    64    69    70    60  
   63    64    69    70    60  
   65    66    74    75    76    77    63  
   62    67  
   67    68    78    79    80    81  
   64    69    82    83    88    91    84    85    86    87    70    71    72    73  
   69    82    84    70    71    72    73  
   66    74    75    76    77  
   74    75    76    77  
   68    78    79    80    81  
   78    79    80    81  
   82    83    88    89    90    92    99    91    84    85    86    87    70    71    72    73  
   71    72    73    82    84  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
   83    88    89    90    92    93    94    98    99   100    91    84    85    86    87  
   88    89    90    92    99    91    84  
   85    86    87    88    91  
   86    87  
   87  
    0  
   89    90    92    93    94    95    96    98    99   100    91  
   90    92    93    94    99    91  
   92    93    94    99    91  
   92    93    94    96    98    99   100  
   93    94    95    96    97    98    99   100  
   94    95    96    98    99   100  
   95    96    97    98    99   100  
   96    97    98    99  
   97    98    99   100  
   98    99  
   99   100  
  100  
    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   3.5000   0.0660   0.145000   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    61   320.000  1.410
   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   268.000  1.529
   50    69   268.000  1.529
   52    53   268.000  1.529
   52    55   250.000  1.527
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    70   268.000  1.529
   69    82   268.000  1.529
   69    84   268.000  1.529
   82    83   340.000  1.090
   82    88   268.000  1.529
   82    91   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    92   268.000  1.529
   92    93   340.000  1.090
   92    94   317.000  1.510
   92    99   250.000  1.527
   94    95   340.000  1.080
   94    96   549.000  1.340
   96    97   340.000  1.080
   96    98   440.000  1.360
   98    99   320.000  1.380
   99   100   340.000  1.090
   99    91   320.000  1.380
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   60    65   214.000  1.327
   65    66   570.000  1.229
   65    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   55    56   340.000  1.090
   55    61   320.000  1.380
   55    62   320.000  1.380
   62    67   214.000  1.327
   67    68   570.000  1.229
   67    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   320.000  1.410
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    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    58.35000  112.70000
   33    52    50    58.35000  112.70000
   33    52    53    58.35000  112.70000
   33    52    55    75.00000  109.43000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    50.00000  109.50000
   37    43    44    37.50000  110.70000
   37    43    47    58.35000  112.70000
   37    43    61    50.00000  109.50000
   39    37    38    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    39    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    58.35000  112.70000
   43    61    55    60.00000  109.50000
   47    43    44    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   47    50    69    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    52    53    58.35000  112.70000
   50    52    55    75.00000  109.43000
   50    69    63    58.35000  112.70000
   50    69    82    58.35000  112.70000
   50    69    84    58.35000  112.70000
   52    33    37    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    53    54    37.50000  110.70000
   52    53    57    58.35000  112.70000
   52    53    60    50.00000  109.50000
   52    55    56    45.00000  112.01100
   52    55    61    90.00000  108.56700
   52    55    62    90.00000  108.56700
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    63    58.35000  112.70000
   53    60    65    83.00000  116.90000
   57    53    54    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    69    58.35000  112.70000
   57    63    70    58.35000  112.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    69    82    58.35000  112.70000
   63    69    84    58.35000  112.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    37.50000  110.70000
   69    50    51    37.50000  110.70000
   69    50    52    58.35000  112.70000
   69    63    64    37.50000  110.70000
   69    82    83    37.50000  110.70000
   69    82    88    58.35000  112.70000
   69    82    91    50.00000  109.50000
   69    84    85    37.50000  110.70000
   69    84    86    37.50000  110.70000
   69    84    87    37.50000  110.70000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    92    58.35000  112.70000
   82    91    99    60.00000  109.50000
   88    82    83    37.50000  110.70000
   88    92    93    37.50000  110.70000
   88    92    94    70.00000  112.02700
   88    92    99    75.00000  109.43000
   90    88    89    33.00000  107.80000
   92    88    89    37.50000  110.70000
   92    88    90    37.50000  110.70000
   92    94    95    35.00000  117.00000
   92    94    96    70.00000  124.00000
   92    99    98    90.00000  108.56700
   92    99   100    45.00000  112.01100
   92    99    91    90.00000  108.56700
   94    92    93    35.00000  109.50000
   94    96    97    35.00000  120.00000
   94    96    98    80.00000  120.01400
   96    94    95    35.00000  120.00000
   96    98    99    85.00000  113.97000
   98    96    97    55.00000  109.52600
   98    99   100    35.00000  109.50000
   98    99    91    92.60000  111.55000
   99    92    93    45.00000  108.72000
   99    92    94    70.00000  112.02700
   91    82    83    35.00000  109.50000
   91    82    88    50.00000  109.50000
   91    99   100    35.00000  109.50000
   84    69    82    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    69    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    57    50.00000  109.50000
   60    65    66    83.00000  123.40000
   60    65    74    81.00000  111.40000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   74    65    66    80.00000  120.40000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   55    52    53    75.00000  109.43000
   55    62    67    95.00000  111.08000
   61    43    44    35.00000  109.50000
   61    43    47    50.00000  109.50000
   61    55    56    35.00000  109.50000
   62    55    56    35.00000  109.50000
   62    55    61    92.60000  111.55000
   62    67    68    83.00000  123.40000
   62    67    78    81.00000  111.40000
   67    78    79    35.00000  109.50000
   67    78    80    35.00000  109.50000
   67    78    81    35.00000  109.50000
   78    67    68    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   40    45    46    55.00000  108.50000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
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
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
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   55    62    67    78   2.92000 -1.0 2.0
   56    55    61    43   0.37050  1.0 3.0
   56    55    62    67   0.08050  1.0 3.0
   61    43    47    48   0.23400  1.0 3.0
   61    43    47    49   0.23400  1.0 3.0
   61    43   -47    50   0.62750  1.0 1.0
   61    43   -47    50  -0.30950 -1.0 2.0
   61    43   -47    50   0.27300  1.0 3.0
   61    55    62    67  -1.83450  1.0 1.0
   61    55    62    67  -0.02700 -1.0 2.0
   61    55    62    67  -0.20100  1.0 3.0
   62    55    61    43  -0.81800  1.0 1.0
   62    67    78    79   0.00000  1.0 1.0
   62    67    78    80   0.00000  1.0 1.0
   62    67    78    81   0.00000  1.0 1.0
   68    67    78    79   0.00000  1.0 1.0
   68    67    78    80   0.00000  1.0 1.0
   68    67    78    81   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.56750  1.0 1.0
   40    33    37    43  -0.07550 -1.0 2.0
   40    33    37    43   0.20000  1.0 3.0
   40    33    52    50   0.56750  1.0 1.0
   40    33    52    50  -0.07550 -1.0 2.0
   40    33    52    50   0.20000  1.0 3.0
   40    33    52    53   0.56750  1.0 1.0
   40    33    52    53  -0.07550 -1.0 2.0
   40    33    52    53   0.20000  1.0 3.0
   40    33    52    55   3.97050  1.0 1.0
   41    40    45    46   0.19450  1.0 3.0
   42    40    45    46   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   92    95    94    96   1.10000 -1.0 2.0
   98    97    96    94   1.10000 -1.0 2.0
   60    74    65    66  10.50000 -1.0 2.0
   62    78    67    68  10.50000 -1.0 2.0
END
