* LIGAND DATABASE FILE (OPLS2005)
*
001     101   104    198    313     589
    1     0 S   NP   _N1_     1    28.69012    95.72152   -22.23870
    2     1 S   H    _HN1     2     1.02951    79.53237    18.83526
    3     1 S   H    _H1_     3     1.02831    36.30863   157.86822
    4     1 S   H    _H2_     4     1.02782    95.30838   -88.90785
    5     1 S   CT   _CA1     5     1.50119   144.50356   129.41006
    6     5 S   HC   _HA1     6     1.09562   105.23786    76.85234
    7     5 S   CO3  _C1_     7     1.53806   112.41700   -43.54378
    8     7 S   O2Z  _O11     8     1.26382   114.97605   -41.88037
    9     7 S   O2Z  _O12     9     1.26223   114.97824   137.30531
   10     5 S   CT   _CB1    10     1.53071   107.45402  -164.97310
   11    10 S   HC   HB11    11     1.09829   109.55531   -48.07619
   12    10 S   HC   HB12    12     1.09823   110.36201    68.57924
   13    10 S   CT   _CG1    13     1.53002   112.58972  -169.00282
   14    13 S   HC   HG11    14     1.09571   110.64806   -62.51817
   15    13 S   HC   HG12    15     1.09657   109.87215    56.73458
   16    13 S   C    _CD1    16     1.51774   112.17161   177.22230
   17    16 S   O    _OE1    17     1.22743   123.24538     3.45774
   18    16 S   N    _N2_    18     1.38659   111.67817  -176.86369
   19    18 S   H    _HN2    19     1.01581   119.06697     1.90711
   20    18 S   CT1  _CA2    20     1.46207   123.24257   179.82529
   21    20 S   HC   _HA2    21     1.09750   109.28237    -3.73596
   22    20 S   C    _C2_    22     1.53431   108.62930  -119.22964
   23    22 S   O    _O2_    23     1.23046   122.30666  -148.42002
   24    20 S   CT   _CB2    32     1.53627   111.79719   118.06982
   25    24 S   HC   HB21    33     1.09494   109.45954    58.37480
   26    24 S   HC   HB22    34     1.09254   109.31914   177.27193
   27    22 S   N    _N3_    24     1.38342   113.58083    39.04828
   28    27 S   H    _HN3    25     1.01620   119.51582    -3.58971
   29    24 S   S    _SG2    35     1.82771   110.79973   -61.86084
   30    27 S   CT   _CA3    26     1.45285   123.15531   176.97832
   31    30 S   HC   HA31    27     1.09552   107.52344   -63.94593
   32    30 S   HC   HA32    28     1.09558   107.95375    52.46676
   33    29 S   CT   _C21    36     1.88870   103.99918  -170.12399
   34    30 S   CO3  _C3_    29     1.52942   114.12595   174.45055
   35    34 S   O2Z  _O31    30     1.26370   116.06729    -0.80794
   36    34 S   O2Z  _O32    31     1.26431   114.40929   179.25612
   37    33 S   CT   _C20    37     1.55854   107.08120   -49.28643
   38    37 S   HC   _H25    38     1.09693   110.70613    66.67602
   39    37 S   HC   _H26    39     1.09654   110.93898   -50.19016
   40    33 S   CT   _C22    97     1.56333   106.75988    65.84007
   41    40 S   HC   _H27    98     1.09517   111.14234   -68.69967
   42    40 S   HC   _H28    99     1.09206   111.88754   173.63591
   43    37 S   CT   _C19    40     1.52349   114.30861  -173.11809
   44    43 S   HC   _H23    41     1.09668   109.80813   -69.38541
   45    43 S   HC   _H24    42     1.09668   109.06659   174.68087
   46    40 S   OH   _O35   100     1.42094   113.26779    52.03726
   47    46 S   HO   _H29   101     0.97232   107.32238   179.39737
   48    43 S   CT   _C18    43     1.52124   112.90476    53.07884
   49    48 S   HC   _H21    44     1.09486   109.54353    66.58506
   50    48 S   HC   _H22    45     1.09201   107.09936  -179.76344
   51    48 S   CT   _C9_    46     1.54834   111.33981   -56.65387
   52    51 S   HC   _H5_    47     1.09679   105.76828   -51.66987
   53    51 S   CT   _C10    48     1.61827   113.74598  -162.82163
   54    53 S   CT   _C5_    49     1.58121   108.77139  -173.10847
   55    54 S   HC   _H3_    50     1.09833   107.91512   -69.25685
   56    53 S   CT   _C12    78     1.59310   106.68944    68.04584
   57    56 S   HC   _H6_    79     1.09274   108.95220   -37.87584
   58    53 S   CT   _C11    93     1.54645   112.10836   -49.66351
   59    58 S   HC   _H14    94     1.09447   111.98158   169.58167
   60    58 S   HC   _H15    95     1.09355   112.08084    50.36208
   61    58 S   HC   _H16    96     1.08903   112.99722   -72.66460
   62    54 S   CT   _C6_    51     1.53323   113.09712    46.54789
   63    62 S   HC   _H12    52     1.09514   111.83028    64.30248
   64    62 S   HC   _H13    53     1.09802   109.31827   179.48187
   65    54 S   CT   _C4_    74     1.53419   116.18768   172.58704
   66    65 S   HC   _H9_    75     1.09321   112.42932   -55.38521
   67    65 S   HC   _H10    76     1.09654   110.63145  -174.99821
   68    65 S   HC   _H11    77     1.09090   111.49837    67.86701
   69    56 S   CT   _C13    80     1.52725   119.74455  -159.15270
   70    69 S   HC   _H17    81     1.09533   112.15220    79.09253
   71    69 S   HC   _H18    82     1.09010   112.31246   -41.84392
   72    56 S   OS   _O34    92     1.43947   111.31686    77.46111
   73    62 S   CT   _C7_    54     1.52982   110.66555   -61.01346
   74    73 S   HC   _H4_    55     1.09501   107.21285   -52.48992
   75    69 S   CT   _C14    83     1.51415   103.51598  -158.66120
   76    75 S   HC   _H7_    84     1.09488   112.42611   148.00177
   77    33 S   CT   _C8_    56     1.65035   111.68619  -169.10650
   78    73 S   OS   _O38    67     1.44128   108.25397  -169.76642
   79    75 S   CM   _C15    85     1.48438   115.75927   -84.67417
   80    79 S   HC   _H19    86     1.07895   125.78901   -63.13136
   81    77 S   CT   _C23    57     1.58221   109.36830    53.60957
   82    81 S   HC   _H30    58     1.08459   110.97404   164.14946
   83    81 S   HC   _H31    59     1.09283   111.41195    45.62788
   84    78 S   CO4  _C26    68     1.36186   118.33244    83.94161
   85    84 S   O    _O39    69     1.22321   126.57880    -1.29331
   86    79 S   CM   _C16    87     1.32683   108.48063   119.30065
   87    86 S   HC   _H20    88     1.07557   128.49835   177.62768
   88    81 S   OS   _O36    60     1.43748   113.54621   -76.67949
   89    84 S   CT   _C27    70     1.49874   109.34999   178.41218
   90    89 S   HC   _H35    71     1.09265   109.84439   -66.47617
   91    89 S   HC   _H36    72     1.09373   109.34469   174.17617
   92    89 S   HC   _H37    73     1.09318   109.89880    55.40904
   93    86 S   OS   _O33    89     1.37671   116.46911    -1.51220
   94    88 S   CO4  _C24    61     1.36173   116.31518   175.70490
   95    94 S   O    _O37    62     1.22326   126.22634     0.85501
   96    75 S   CO   _C17    90     1.53018   104.17616    25.47857
   97    96 S   HC   _H8_    91     1.09529   112.26613   108.65897
   98    94 S   CT   _C25    63     1.49826   109.50106  -179.12957
   99    98 S   HC   _H32    64     1.09295   109.84207   -60.37603
  100    98 S   HC   _H33    65     1.09355   109.28871  -179.39348
  101    98 S   HC   _H34    66     1.09266   109.86058    61.47229
  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
  24   2   1   1  16   7   6   9   4   3   9   5   4   2   1  11
   5   4  22   7  24  20  10  18   7   8   2   1   1  12   6   5
   4   2   1   1  11   6   5   7  10   4   8   6   7   7   6   4
   6   3   2   5   4   4   2   6   3   2   1   1   2   5   4   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    77    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    73    77    81    40    41    42    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    51    52    53    62    73    74    77    81    82    83    88    78    40    41    42    46    47  
   35    36  
   36  
    0  
   38    39    43    44    45    48    49    50    51    73    77    81    40    41    42    46  
   39    43    44    45    48    77    40  
   43    44    45    48    77    40  
   41    42    46    47    43    51    73    77    81  
   42    46    47    77  
   46    47    77  
   44    45    48    49    50    51    52    53    77  
   45    48    49    50    51  
   48    49    50    51  
   47    77  
    0  
   49    50    51    52    53    54    73    77    81    56    58  
   50    51    52    53    77  
   51    52    53    77  
   52    53    54    55    62    73    74    77    81    82    83    88    78    65    56    57    69    72    58    59    60    61  
   53    54    73    77    81    56    58  
   54    55    62    63    64    73    77    81    65    66    67    68    56    57    69    70    71    75    96    72    58    59    60    61  
   55    62    63    64    73    74    77    78    65    66    67    68    56    57    69    72    58    59    60    61  
   62    63    64    73    65    66    67    68    56    58  
   57    69    70    71    75    76    79    93    96    97    72    58    59    60    61    62    65    77  
   69    70    71    75    96    72    58  
   59    60    61    62    65    69    72    77  
   60    61  
   61  
    0  
   63    64    73    74    77    81    78    84    65    66    67    68  
   64    73    74    77    78    65  
   73    74    77    78    65  
   66    67    68    73  
   67    68  
   68  
    0  
   70    71    75    76    79    80    86    93    96    97    72  
   71    75    76    79    96    72  
   75    76    79    96    72  
   75    76    79    86    93    96    97  
   74    77    81    82    83    88    78    84    85    89  
   77    81    78    84  
   76    79    80    86    87    93    96    97  
   79    80    86    93    96    97  
   81    82    83    88    94    78    84  
   84    85    89    90    91    92    81  
   80    86    87    93    96    97  
   86    87    93    96  
   82    83    88    94    95    98  
   83    88    94  
   88    94  
   85    89    90    91    92  
   89    90    91    92  
   87    93    96    97  
   93    96  
   94    95    98    99   100   101  
   90    91    92  
   91    92  
   92  
    0  
   96    97  
   95    98    99   100   101  
   98    99   100   101  
   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   2.5000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   94   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   96   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   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    77   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    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    77   268.000  1.529
   53    54   268.000  1.529
   53    56   268.000  1.529
   53    58   268.000  1.529
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    73   268.000  1.529
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    78   320.000  1.410
   77    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    88   320.000  1.410
   88    94   214.000  1.327
   94    95   570.000  1.229
   94    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   78    84   214.000  1.327
   84    85   570.000  1.229
   84    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   56    57   340.000  1.090
   56    69   268.000  1.529
   56    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    79   317.000  1.510
   75    96   250.000  1.527
   79    80   340.000  1.080
   79    86   549.000  1.340
   86    87   340.000  1.080
   86    93   440.000  1.360
   93    96   320.000  1.380
   96    97   340.000  1.090
   96    72   320.000  1.380
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   320.000  1.410
   46    47   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    77    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    77    51    58.35000  112.70000
   33    77    73    58.35000  112.70000
   33    77    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    46    50.00000  109.50000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    48    58.35000  112.70000
   39    37    38    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    39    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    77    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    58.35000  112.70000
   51    53    56    58.35000  112.70000
   51    53    58    58.35000  112.70000
   51    77    73    58.35000  112.70000
   51    77    81    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    62    58.35000  112.70000
   53    54    65    58.35000  112.70000
   53    56    57    37.50000  110.70000
   53    56    69    58.35000  112.70000
   53    56    72    50.00000  109.50000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    61    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    73    58.35000  112.70000
   54    65    66    37.50000  110.70000
   54    65    67    37.50000  110.70000
   54    65    68    37.50000  110.70000
   62    54    55    37.50000  110.70000
   62    73    74    37.50000  110.70000
   62    73    77    58.35000  112.70000
   62    73    78    50.00000  109.50000
   64    62    63    33.00000  107.80000
   73    62    63    37.50000  110.70000
   73    62    64    37.50000  110.70000
   73    77    81    58.35000  112.70000
   73    78    84    83.00000  116.90000
   77    33    37    58.35000  112.70000
   77    51    52    37.50000  110.70000
   77    51    53    58.35000  112.70000
   77    73    74    37.50000  110.70000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    88    50.00000  109.50000
   81    88    94    83.00000  116.90000
   83    81    82    33.00000  107.80000
   88    81    82    35.00000  109.50000
   88    81    83    35.00000  109.50000
   88    94    95    83.00000  123.40000
   88    94    98    81.00000  111.40000
   94    98    99    35.00000  109.50000
   94    98   100    35.00000  109.50000
   94    98   101    35.00000  109.50000
   98    94    95    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
   78    73    74    35.00000  109.50000
   78    73    77    50.00000  109.50000
   78    84    85    83.00000  123.40000
   78    84    89    81.00000  111.40000
   84    89    90    35.00000  109.50000
   84    89    91    35.00000  109.50000
   84    89    92    35.00000  109.50000
   89    84    85    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   65    54    55    37.50000  110.70000
   65    54    62    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   56    53    54    58.35000  112.70000
   56    69    70    37.50000  110.70000
   56    69    71    37.50000  110.70000
   56    69    75    58.35000  112.70000
   56    72    96    60.00000  109.50000
   69    56    57    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    79    70.00000  112.02700
   69    75    96    75.00000  109.43000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    79    80    35.00000  117.00000
   75    79    86    70.00000  124.00000
   75    96    93    90.00000  108.56700
   75    96    97    45.00000  112.01100
   75    96    72    90.00000  108.56700
   79    75    76    35.00000  109.50000
   79    86    87    35.00000  120.00000
   79    86    93    80.00000  120.01400
   86    79    80    35.00000  120.00000
   86    93    96    85.00000  113.97000
   93    86    87    55.00000  109.52600
   93    96    97    35.00000  109.50000
   93    96    72    92.60000  111.55000
   96    75    76    45.00000  108.72000
   96    75    79    70.00000  112.02700
   72    56    57    35.00000  109.50000
   72    56    69    50.00000  109.50000
   72    96    97    35.00000  109.50000
   58    53    54    58.35000  112.70000
   58    53    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    77    58.35000  112.70000
   40    46    47    55.00000  108.50000
   42    40    41    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    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
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   58    53    56    69  -0.07550 -1.0 2.0
   58    53    56    69   0.20000  1.0 3.0
   58    53    56    72   0.62750  1.0 1.0
   58    53    56    72  -0.30950 -1.0 2.0
   58    53    56    72   0.27300  1.0 3.0
   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    77    51   0.56750  1.0 1.0
   40    33    77    51  -0.07550 -1.0 2.0
   40    33    77    51   0.20000  1.0 3.0
   40    33    77    73   0.56750  1.0 1.0
   40    33    77    73  -0.07550 -1.0 2.0
   40    33    77    73   0.20000  1.0 3.0
   40    33    77    81   0.56750  1.0 1.0
   40    33    77    81  -0.07550 -1.0 2.0
   40    33    77    81   0.20000  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   42    40    46    47   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
   88    98    94    95  10.50000 -1.0 2.0
   78    89    84    85  10.50000 -1.0 2.0
   75    80    79    86   1.10000 -1.0 2.0
   93    87    86    79   1.10000 -1.0 2.0
END
