* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    203    334     614
    1     0 S   NP   _N1_     1    28.60178    96.35813   -22.56184
    2     1 S   H    _HN1     2     1.02786    98.44928   -91.21197
    3     1 S   H    _H1_     3     1.02949    74.19575    15.58636
    4     1 S   H    _H2_     4     1.02828    39.55840   160.86073
    5     1 S   CT   _CA1     5     1.50112   144.54228   118.71544
    6     5 S   HC   _HA1     6     1.09573   105.19230    86.44393
    7     5 S   CO3  _C1_     7     1.53786   112.46861   -33.79306
    8     7 S   O2Z  _O11     8     1.26372   115.00579   -42.43951
    9     7 S   O2Z  _O12     9     1.26240   114.94928   136.68508
   10     5 S   CT   _CB1    10     1.53077   107.41910  -155.56789
   11    10 S   HC   HB11    11     1.09834   109.37311   -49.63513
   12    10 S   HC   HB12    12     1.09812   110.44980    66.97564
   13    10 S   CT   _CG1    13     1.52990   112.60467  -170.60455
   14    13 S   HC   HG11    14     1.09580   110.64313   -65.80252
   15    13 S   HC   HG12    15     1.09670   109.77452    53.43106
   16    13 S   C    _CD1    16     1.51798   112.20540   173.89536
   17    16 S   O    _OE1    17     1.22731   123.27691     7.59290
   18    16 S   N    _N2_    18     1.38652   111.68292  -172.51109
   19    18 S   H    _HN2    19     1.01575   118.93506     1.72862
   20    18 S   CT1  _CA2    20     1.46216   123.40029   177.43036
   21    20 S   HC   _HA2    21     1.09741   109.37949     3.47378
   22    20 S   C    _C2_    22     1.53586   108.52835  -111.98644
   23    22 S   O    _O2_    23     1.23059   122.30114  -147.30700
   24    20 S   CT   _CB2    32     1.53533   111.67028   125.51058
   25    24 S   HC   HB21    33     1.09518   109.43486    55.94159
   26    24 S   HC   HB22    34     1.09274   109.55182   174.79820
   27    22 S   N    _N3_    24     1.38332   113.70711    40.08813
   28    27 S   H    _HN3    25     1.01578   119.59847    -3.18506
   29    24 S   S    _SG2    35     1.83021   111.04141   -64.28728
   30    27 S   CT   _CA3    26     1.45284   123.22035   177.18603
   31    30 S   HC   HA31    27     1.09549   107.49816   -64.91922
   32    30 S   HC   HA32    28     1.09556   108.00195    51.52402
   33    29 S   CT   _C10    36     1.89963   103.43199  -170.14003
   34    30 S   CO3  _C3_    29     1.52963   114.07502   173.52846
   35    34 S   O2Z  _O31    30     1.26377   116.07380    -0.76745
   36    34 S   O2Z  _O32    31     1.26428   114.41156   179.29807
   37    33 S   CT   _C9_    37     1.54942   105.55415    74.06673
   38    37 S   HC   _H14    38     1.09530   111.71075   -51.97199
   39    37 S   HC   _H15    39     1.09307   112.45734  -169.39535
   40    33 S   CT   _C11    56     1.54607   108.42126   -44.35611
   41    40 S   HC   _H16    57     1.09633   110.67228    65.39371
   42    40 S   HC   _H17    58     1.09747   110.32990   -52.21490
   43    37 S   CO4  _C8_    40     1.51378   112.56190    69.93310
   44    43 S   O    _O33    41     1.23110   121.27984  -136.01605
   45    43 S   CT   _C7_    42     1.50774   117.18142    49.54267
   46    45 S   HC   _H12    43     1.09337   108.74481    75.39835
   47    45 S   HC   _H13    44     1.09598   108.50363  -168.36897
   48    45 S   CT   _C6_    45     1.52182   111.23280   -48.31773
   49    48 S   HC   _H10    46     1.09599   108.91123   175.72410
   50    48 S   HC   _H11    47     1.09810   107.76819   -71.43099
   51    33 S   CT   _C5_    48     1.60724   110.81812  -165.10935
   52    51 S   CT   _C14    49     1.60145   109.98944   172.87619
   53    52 S   F    F1__    50     1.38099   106.84650    59.21934
   54    51 S   CT   _C4_    97     1.56084   110.58045    51.12989
   55    54 S   HC   _H7_    98     1.09240   112.72177    66.82578
   56    54 S   HC   _H8_    99     1.09341   112.71825   -54.41254
   57    54 S   HC   _H9_   100     1.09198   112.03123  -171.00986
   58    52 S   CT   _C13    51     1.55889   111.66391   -55.28083
   59    58 S   HC   _H3_    52     1.09390   110.06640   -64.07571
   60    52 S   CT   _C15    71     1.56177   116.65630   173.93256
   61    60 S   HC   _H4_    72     1.09603   108.28924   -63.72953
   62    58 S   CT   _C12    53     1.53359   110.97510    54.98719
   63    62 S   HC   _H18    54     1.09705   109.57381  -174.38745
   64    62 S   HC   _H19    55     1.09674   110.14980    69.50614
   65    58 S   CT   _C18    59     1.53862   109.03047   176.08463
   66    65 S   HC   _H5_    60     1.10062   105.72618   -58.60493
   67    60 S   OH   _O38    73     1.41775   112.76403    54.22633
   68    67 S   HO   _H36    74     0.97245   107.96102  -174.69289
   69    65 S   CT   _C19    61     1.52762   118.84942  -177.08677
   70    69 S   HC   _H22    62     1.09585   110.20241   -44.77390
   71    69 S   HC   _H23    63     1.09472   111.95147    75.75543
   72    69 S   CT   _C20    64     1.54177   103.96593  -162.82881
   73    72 S   HC   _H6_    65     1.09418   109.30423   135.08555
   74    72 S   CT   _C21    66     1.54086   107.19448     9.90252
   75    65 S   CT   _C17    67     1.54742   113.95588    60.15065
   76    74 S   OS   _O34    79     1.42771   104.18612   -98.37222
   77    74 S   CO4  _C25    90     1.53857   113.21400   143.80746
   78    77 S   O    _O36    91     1.23265   121.42513   -22.63632
   79    75 S   CT   _C16    68     1.54264   106.52558   -61.61985
   80    79 S   HC   _H20    69     1.09709   109.91724   -65.17949
   81    79 S   HC   _H21    70     1.09500   109.71739   177.68353
   82    75 S   CT   _C27    75     1.55147   113.17313    60.53573
   83    82 S   HC   _H33    76     1.09508   112.40827    67.68879
   84    82 S   HC   _H34    77     1.09142   113.32889   -52.50597
   85    82 S   HC   _H35    78     1.09608   110.55193  -172.76682
   86    76 S   CO   _C22    80     1.42996   107.14388   -21.31040
   87    77 S   CT   _C26    92     1.52093   117.37955   158.72658
   88    87 S   HC   _H30    93     1.09024   109.69175    63.31767
   89    87 S   HC   _H31    94     1.09250   109.70716   -58.24638
   90    72 S   OS   _O35    81     1.42502   110.60982  -105.88191
   91    86 S   CT   _C23    82     1.52365   108.83745   135.53833
   92    91 S   HC   _H24    83     1.09519   110.77572   -61.34068
   93    91 S   HC   _H25    84     1.09515   111.30651   179.88809
   94    91 S   HC   _H26    85     1.09503   111.31339    57.78290
   95    86 S   CT   _C24    86     1.52617   109.44893  -103.71660
   96    95 S   HC   _H27    87     1.09532   110.96504    62.95189
   97    95 S   HC   _H28    88     1.09500   111.26761   -56.39218
   98    95 S   HC   _H29    89     1.09525   111.21895  -178.37574
   99    87 S   OH   _O37    95     1.41481   110.28090  -177.50315
  100    99 S   HO   _H32    96     0.97224   107.26667   178.49950
  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  15   6   5  13   6   5   8   4   8   5   4  11
   4   3  14  21   9   5   2   1   1  17   8  11   6   6   2   1
  18   8   5   1  12   6   5  13   6  19  13  15  10   4   6   2
   1   3   2   1   1   9   4   3   2   8   7   3   2   1   3   2
   1   1   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    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    62    40    41    42    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    58    62    63    64    40    41    42    60    54    55    56    57  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    62    40    41    42    54  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    65    54    43    48    51    52    58    59    62    63    64  
   42    51    58    62    63    64  
   51    58    62    63    64  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    58    60    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    62    65    79    60    61    67    54    55    56    57  
   53    58    59    62    63    64    65    66    69    75    79    80    81    60    61    67    68    54    55    56    57  
   58    59    62    65    79    60    61    67    54  
   55    56    57    58    60  
   56    57  
   57  
    0  
   59    62    63    64    65    66    69    70    71    72    74    75    79    60    61    67    82  
   62    63    64    65    66    69    75    60  
   61    67    68    82    62    65    74    75    79    80    81  
   67    68    75    79    80    81  
   63    64    65    66    69    75  
   64    65  
   65  
   66    69    70    71    72    73    74    75    79    80    81    82    83    84    85    76    90    77  
   69    70    71    72    74    75    79    82  
   68    75    79    80    81  
   79  
   70    71    72    73    74    75    79    82    76    86    90    77  
   71    72    73    74    75    90  
   72    73    74    75    90  
   73    74    75    79    82    76    86    90    91    95    77    78    87  
   74    75    76    86    90    77  
   75    79    80    81    82    83    84    85    76    86    90    91    95    77    78    87    88    89    99  
   79    80    81    82    83    84    85    76    86    90    77    78    87  
   86    90    91    92    93    94    95    96    97    98    77    78    87    79    82  
   78    87    88    89    99   100    79    82    86    90  
   87    88    89    99  
   80    81    82    83    84    85  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
   90    91    92    93    94    95    96    97    98  
   88    89    99   100  
   89    99   100  
   99   100  
   91    92    93    94    95    96    97    98  
   92    93    94    95    96    97    98  
   93    94    95  
   94    95  
   95  
   96    97    98  
   97    98  
   98  
    0  
  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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   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   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    51   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    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    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   268.000  1.529
   51    54   268.000  1.529
   52    53   367.000  1.332
   52    58   268.000  1.529
   52    60   268.000  1.529
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    75   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    90   320.000  1.410
   74    75   268.000  1.529
   74    76   320.000  1.410
   74    77   317.000  1.522
   75    79   268.000  1.529
   75    82   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    60   268.000  1.529
   60    61   340.000  1.090
   60    67   320.000  1.410
   67    68   553.000  0.945
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   76    86   320.000  1.380
   86    90   320.000  1.380
   86    91   250.000  1.527
   86    95   250.000  1.527
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   77    78   570.000  1.229
   77    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    99   320.000  1.410
   99   100   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    51    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    51    48    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    40    62    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    58.35000  112.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    50.00000  109.50000
   51    52    58    58.35000  112.70000
   51    52    60    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    62    58.35000  112.70000
   52    58    65    58.35000  112.70000
   52    60    79    58.35000  112.70000
   52    60    61    37.50000  110.70000
   52    60    67    50.00000  109.50000
   58    52    53    50.00000  109.50000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    40    58.35000  112.70000
   58    65    66    37.50000  110.70000
   58    65    69    58.35000  112.70000
   58    65    75    58.35000  112.70000
   62    58    59    37.50000  110.70000
   62    40    41    37.50000  110.70000
   62    40    42    37.50000  110.70000
   64    62    63    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    62    63    37.50000  110.70000
   40    62    64    37.50000  110.70000
   42    40    41    33.00000  107.80000
   65    58    59    37.50000  110.70000
   65    58    62    58.35000  112.70000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    58.35000  112.70000
   65    75    74    58.35000  112.70000
   65    75    79    58.35000  112.70000
   65    75    82    58.35000  112.70000
   69    65    66    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    58.35000  112.70000
   69    72    90    50.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    74    75    58.35000  112.70000
   72    74    76    50.00000  109.50000
   72    74    77    63.00000  111.10000
   72    90    86    60.00000  109.50000
   74    72    73    37.50000  110.70000
   74    75    79    58.35000  112.70000
   74    75    82    58.35000  112.70000
   74    76    86    60.00000  109.50000
   74    77    78    80.00000  120.40000
   74    77    87    70.00000  116.00000
   75    65    66    37.50000  110.70000
   75    65    69    58.35000  112.70000
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    60    58.35000  112.70000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    85    37.50000  110.70000
   79    60    61    37.50000  110.70000
   79    60    67    50.00000  109.50000
   81    79    80    33.00000  107.80000
   60    52    53    50.00000  109.50000
   60    52    58    58.35000  112.70000
   60    79    80    37.50000  110.70000
   60    79    81    37.50000  110.70000
   60    67    68    55.00000  108.50000
   67    60    61    35.00000  109.50000
   82    75    79    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   76    74    75    50.00000  109.50000
   76    86    90    92.60000  111.55000
   76    86    91    90.00000  108.56700
   76    86    95    90.00000  108.56700
   86    91    92    45.00000  108.72000
   86    91    93    45.00000  108.72000
   86    91    94    45.00000  108.72000
   86    95    96    45.00000  108.72000
   86    95    97    45.00000  108.72000
   86    95    98    45.00000  108.72000
   90    72    73    35.00000  109.50000
   90    72    74    50.00000  109.50000
   91    86    90    90.00000  108.56700
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   95    86    90    90.00000  108.56700
   95    86    91    65.00000  112.71400
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   77    74    75    63.00000  111.10000
   77    74    76    90.00000  108.74100
   77    87    88    35.00000  109.50000
   77    87    89    35.00000  109.50000
   77    87    99    90.00000  109.61100
   87    77    78    80.00000  120.40000
   87    99   100    55.00000  108.50000
   89    87    88    33.00000  107.80000
   99    87    88    35.00000  109.50000
   99    87    89    35.00000  109.50000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
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   60    52   -58    65   0.56750  1.0 1.0
   60    52   -58    65  -0.07550 -1.0 2.0
   60    52   -58    65   0.20000  1.0 3.0
   61    60    67    68   0.19450  1.0 3.0
   82    75    79    80   0.15000  1.0 3.0
   82    75    79    81   0.15000  1.0 3.0
   82    75    79    60   0.56750  1.0 1.0
   82    75    79    60  -0.07550 -1.0 2.0
   82    75    79    60   0.20000  1.0 3.0
   76    74    75    65   0.62750  1.0 1.0
   76    74    75    65  -0.30950 -1.0 2.0
   76    74    75    65   0.27300  1.0 3.0
   76    74    75    79   0.62750  1.0 1.0
   76    74    75    79  -0.30950 -1.0 2.0
   76    74    75    79   0.27300  1.0 3.0
   76    74    75    82   0.62750  1.0 1.0
   76    74    75    82  -0.30950 -1.0 2.0
   76    74    75    82   0.27300  1.0 3.0
   76    74    77    78   0.30150 -1.0 2.0
   76    74    77    87   0.55300  1.0 1.0
   76    74    77    87   1.25850 -1.0 2.0
   76    74    77    87  -0.23600  1.0 3.0
   76    86   -90    72  -0.53350  1.0 1.0
   76    86   -90    72  -0.78350 -1.0 2.0
   76    86   -90    72   0.33750  1.0 3.0
   76    86    91    92   0.23400  1.0 3.0
   76    86    91    93   0.23400  1.0 3.0
   76    86    91    94   0.23400  1.0 3.0
   76    86    95    96   0.23400  1.0 3.0
   76    86    95    97   0.23400  1.0 3.0
   76    86    95    98   0.23400  1.0 3.0
   90    72    74    75   0.62750  1.0 1.0
   90    72    74    75  -0.30950 -1.0 2.0
   90    72    74    75   0.27300  1.0 3.0
   90    72   -74    76   1.11900  1.0 1.0
   90    72   -74    76  -1.16350 -1.0 2.0
   90    72   -74    76  -0.34150  1.0 3.0
   90    72    74    77  -0.09450  1.0 1.0
   90    72    74    77  -1.12950 -1.0 2.0
   90    72    74    77   0.54000  1.0 3.0
   90    86    91    92   0.23400  1.0 3.0
   90    86    91    93   0.23400  1.0 3.0
   90    86    91    94   0.23400  1.0 3.0
   90    86    95    96   0.23400  1.0 3.0
   90    86    95    97   0.23400  1.0 3.0
   90    86    95    98   0.23400  1.0 3.0
   91    86    90    72   0.06250  1.0 1.0
   91    86    90    72  -0.01100 -1.0 2.0
   91    86    90    72   0.28050  1.0 3.0
   91    86    95    96   0.15000  1.0 3.0
   91    86    95    97   0.15000  1.0 3.0
   91    86    95    98   0.15000  1.0 3.0
   95    86    90    72   0.06250  1.0 1.0
   95    86    90    72  -0.01100 -1.0 2.0
   95    86    90    72   0.28050  1.0 3.0
   95    86    91    92   0.15000  1.0 3.0
   95    86    91    93   0.15000  1.0 3.0
   95    86    91    94   0.15000  1.0 3.0
   77    74    75    65  -0.95700  1.0 1.0
   77    74    75    65  -0.18200 -1.0 2.0
   77    74    75    65   0.29450  1.0 3.0
   77    74    75    79  -0.95700  1.0 1.0
   77    74    75    79  -0.18200 -1.0 2.0
   77    74    75    79   0.29450  1.0 3.0
   77    74    75    82  -0.95700  1.0 1.0
   77    74    75    82  -0.18200 -1.0 2.0
   77    74    75    82   0.29450  1.0 3.0
   77    74    76    86  -1.11000  1.0 1.0
   77    74    76    86   0.50250 -1.0 2.0
   77    74    76    86   0.47450  1.0 3.0
   77    87    99   100   0.91850  1.0 1.0
   77    87    99   100   0.57950  1.0 3.0
   78    77    87    88   0.00000  1.0 1.0
   78    77    87    89   0.00000  1.0 1.0
   78    77    87    99   0.30150 -1.0 2.0
   88    87    99   100   0.19450  1.0 3.0
   89    87    99   100   0.19450  1.0 3.0
   54    51    52    53   0.39650  1.0 1.0
   54    51    52    53  -0.18350 -1.0 2.0
   54    51    52    53   0.41450  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    60   0.56750  1.0 1.0
   54    51    52    60  -0.07550 -1.0 2.0
   54    51    52    60   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   74    87    77    78  10.50000 -1.0 2.0
END
