* LIGAND DATABASE FILE (OPLS2005)
*
001     106   111    219    365     663
    1     0 S   NP   _N1_     1    29.23681    92.53921   -17.73936
    2     1 S   H    _HN1     2     1.02816    61.73372   -99.70846
    3     1 S   H    _H1_     3     1.02946   103.60913     3.82955
    4     1 S   H    _H2_     4     1.02854    49.67475   104.95923
    5     1 S   CT   _CA1     5     1.50068   144.92346   171.62776
    6     5 S   HC   _HA1     6     1.09552   105.35526    11.18197
    7     5 S   CO3  _C1_     7     1.53866   112.25943  -109.49619
    8     7 S   O2Z  _O11     8     1.26493   115.33247   -48.41812
    9     7 S   O2Z  _O12     9     1.26186   115.23794   131.05704
   10     5 S   CT   _CB1    10     1.53119   107.48769   129.46126
   11    10 S   HC   HB11    11     1.09817   110.02734   -46.39211
   12    10 S   HC   HB12    12     1.09827   110.06219    70.25983
   13    10 S   CT   _CG1    13     1.53073   112.48062  -167.28498
   14    13 S   HC   HG11    14     1.09469   110.43176   -51.67468
   15    13 S   HC   HG12    15     1.09611   110.10965    67.37530
   16    13 S   C    _CD1    16     1.51758   112.03301  -171.91196
   17    16 S   O    _OE1    17     1.22764   123.07549    -7.82983
   18    16 S   N    _N2_    18     1.38649   111.88050   171.70743
   19    18 S   H    _HN2    19     1.01590   119.32411     4.20407
   20    18 S   CT1  _CA2    20     1.46195   123.06086  -174.97633
   21    20 S   HC   _HA2    21     1.09738   109.03029    -7.18048
   22    20 S   C    _C2_    22     1.53363   109.41465  -122.91162
   23    22 S   O    _O2_    23     1.23057   122.18390  -153.40533
   24    20 S   CT   _CB2    32     1.53650   111.71351   114.06849
   25    24 S   HC   HB21    33     1.09042   110.26834    66.61092
   26    24 S   HC   HB22    34     1.09591   109.66323  -176.72302
   27    22 S   N    _N3_    24     1.38311   113.71241    34.15259
   28    27 S   H    _HN3    25     1.01627   119.43807    -3.80946
   29    24 S   S    _SG2    35     1.83064   111.51178   -58.65504
   30    27 S   CT   _CA3    26     1.45276   123.12263   177.03100
   31    30 S   HC   HA31    27     1.09553   107.51032   -63.95442
   32    30 S   HC   HA32    28     1.09558   107.96492    52.44972
   33    29 S   CT   _C26    36     1.89125   103.40329   124.10992
   34    30 S   CO3  _C3_    29     1.52925   114.14718   174.40350
   35    34 S   O2Z  _O31    30     1.26367   116.06350    -2.09134
   36    34 S   O2Z  _O32    31     1.26439   114.41633   177.96982
   37    33 S   CM   _C25    37     1.53686   106.77106    67.05315
   38    33 S   CT   _C10    76     1.59733   107.28941  -175.05252
   39    33 S   CT   _C27   103     1.54596   108.94824   -56.35133
   40    39 S   HC   _H29   104     1.09260   112.26532   -57.57231
   41    39 S   HC   _H30   105     1.09629   111.06926  -177.51667
   42    39 S   HC   _H31   106     1.09208   113.93580    62.17339
   43    37 S   CMA  _C24    38     1.35848   130.60616  -106.54101
   44    43 S   OM   _O34    39     1.25611   134.98725    -0.29275
   45    38 S   CT   _C9_    77     1.59541   114.21881    62.31539
   46    45 S   HC   _H6_    78     1.09509   111.17388    -9.88290
   47    43 S   CT   _C23    40     1.53547   109.57552   172.88137
   48    47 S   HC   _H10    41     1.10506   105.52254   -87.99703
   49    45 S   CT   _C8_    79     1.52155   101.37656   105.53554
   50    49 S   HC   _H5_    80     1.09706   109.18328   -83.98130
   51    45 S   CT   _C29    99     1.53130   116.19737  -130.23235
   52    51 S   HC   _H36   100     1.09394   112.54229   -62.16620
   53    51 S   HC   _H37   101     1.09573   110.40975   177.80073
   54    51 S   HC   _H38   102     1.09439   110.98704    59.81569
   55    47 S   CT   _C14    42     1.53527   100.65309    24.21931
   56    55 S   HC   _H8_    43     1.09986   109.27553    82.18003
   57    49 S   CT   _C7_    81     1.50386   102.29939    34.09707
   58    57 S   HC   _H4_    82     1.09858   112.08940    68.86420
   59    55 S   CT   _C15    44     1.52213   110.63099  -159.54444
   60    59 S   HC   _H20    45     1.09593   109.50331  -169.44154
   61    59 S   HC   _H21    46     1.09618   111.24377    72.20116
   62    37 S   CT   _C13    68     1.51701   118.03671    71.08659
   63    62 S   HC   _H7_    69     1.09731   109.29938   -77.17886
   64    57 S   CT   _C6_    83     1.51879   110.08093  -169.86038
   65    64 S   HC   _H14    84     1.09648   109.91936  -179.97202
   66    64 S   HC   _H15    85     1.09768   110.15448    63.62471
   67    38 S   OS   _O33    98     1.47568   106.88511   177.70868
   68    59 S   CM   _C16    47     1.50222   110.61393   -48.86122
   69    68 S   HC   _H22    48     1.08731   115.72949  -164.21099
   70    62 S   CT   _C12    70     1.52544   113.45540    45.89805
   71    70 S   HC   _H18    71     1.09683   109.54886  -170.77853
   72    70 S   HC   _H19    72     1.09771   110.85730    72.63239
   73    64 S   CT   _C5_    86     1.54363   109.05095   -58.30699
   74    73 S   HC   _H3_    87     1.09873   107.79549   -66.46686
   75    68 S   CM   _C17    49     1.34909   124.56601    14.69494
   76    70 S   CT   _C11    73     1.52520   112.22123   -48.98301
   77    76 S   HC   _H16    74     1.09637   106.26938   176.01169
   78    76 S   HC   _H17    75     1.09515   109.17495   -68.82501
   79    73 S   CT   _C30    88     1.54020   112.37982    52.21608
   80    79 S   HC   _H41    89     1.09556   111.92987    68.15739
   81    79 S   HC   _H42    90     1.09447   111.65812  -169.31190
   82    73 S   CT   _C4_    94     1.52669   110.55764   175.98063
   83    82 S   HC   _H11    95     1.09527   111.27267   -62.42467
   84    82 S   HC   _H12    96     1.09508   110.76159   177.39406
   85    82 S   HC   _H13    97     1.09505   110.77414    57.77345
   86    75 S   CT   _C18    50     1.51067   119.98239  -177.85360
   87    86 S   HC   _H23    51     1.09776   111.65641    -5.26388
   88    86 S   HC   _H24    52     1.09746   109.59287   110.48174
   89    49 S   NP   _N4_    91     1.47531   118.35610   153.93483
   90    89 S   H    _H39    92     1.03456   109.39957    60.81991
   91    89 S   H    _H40    93     1.02849   111.49103   -56.12824
   92    86 S   CT   _C19    53     1.52512   111.65905  -127.33615
   93    92 S   HC   _H9_    54     1.09694   109.76295    67.74981
   94    92 S   CT   _C20    55     1.52497   111.13208   -54.17855
   95    94 S   HC   _H25    56     1.09686   110.16615   -67.28933
   96    94 S   HC   _H26    57     1.09716   109.51939   177.43036
   97    92 S   OH   _O35    66     1.42460   108.65370  -174.71198
   98    97 S   HO   _H35    67     0.97243   107.45896   179.73166
   99    94 S   CT   _C21    58     1.52905   111.46114    55.99085
  100    99 S   HC   _H27    59     1.09859   107.71634    67.49468
  101    99 S   HC   _H28    60     1.09519   107.63262  -178.18307
  102    47 S   CT   _C22    61     1.58136   125.50261   147.63988
  103   102 S   CT   _C28    62     1.54686   111.94345   -45.56924
  104   103 S   HC   _H32    63     1.09395   111.86565    61.01775
  105   103 S   HC   _H33    64     1.09449   112.17573   -60.03058
  106   103 S   HC   _H34    65     1.09514   112.05948  -179.60733
  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  12   5   4   3
  22   2   1   1  21  25   8   2   1   1  13   5  19  10  21   8
  19   9   7   2   1   1  16   8  13   6  10   5   4   9   4  13
   6   5   6   9   3   5   4   3  11   8  15   2   1   1   9   5
   4   4   2   1   1  12   6   5   2   1   1  10   6   9   6   5
   2   1   7   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    62    76    38    45    67    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    47    55    62    63    70    76    77    78    38    45    46    49    57    67    51    39    40    41    42  
   35    36  
   36  
    0  
   43    44    47    48    55    56    59   102    62    63    70    71    72    76    38    45    67    39    40    41    42  
   45    46    49    50    57    58    64    89    67    51    52    53    54    39    40    41    42    43    62    70    71    72    76    77    78  
   40    41    42    43    45    62    67    76  
   41    42  
   42  
    0  
   44    47    48    55    56    59    75    99   102   103    62    63    70  
   47    48    55   102    62  
   46    49    50    57    58    64    79    89    90    91    67    51    52    53    54    70    76    77    78  
   49    50    57    89    67    51    52    53    54    76  
   48    55    56    59    60    61    68    75    86    94    99   100   101   102   103   104   105   106    62    63    70  
   55    56    59    75    99   102   103    62  
   50    57    58    64    65    66    73    79    80    81    89    90    91    67    51    52    53    54    76  
   57    58    64    79    89    90    91    67    51  
   52    53    54    57    67    76    89  
   53    54  
   54  
    0  
   56    59    60    61    68    69    75    99   102   103    62    63    70    71    72    76  
   59    60    61    68   102    62    63    70  
   58    64    65    66    73    74    79    89    90    91    82    67    76  
   64    65    66    73    89    67  
   60    61    68    69    75    86   102    62    63    70  
   61    68    69    75    62  
   68    69    75    62  
   63    70    71    72    76    77    78    68   102  
   70    71    72    76  
   65    66    73    74    79    80    81    89    82    83    84    85    67  
   66    73    74    79    82    67  
   73    74    79    82    67  
   70    73    76    77    78    89  
   69    75    86    87    88    92    99   102   103  
   75    86   102  
   71    72    76    77    78  
   72    76    77    78  
   76    77    78  
   74    79    80    81    89    90    91    82    83    84    85  
   79    80    81    89    82    83    84    85  
   86    87    88    92    93    94    99   100   101   102   103   104   105   106    97  
   77    78  
   78  
    0  
   80    81    89    90    91    82    83    84    85  
   81    89    90    91    82  
   89    90    91    82  
   83    84    85    89  
   84    85  
   85  
    0  
   87    88    92    93    94    95    96    99   102   103    97    98  
   88    92    93    94   102    97  
   92    93    94   102    97  
   90    91  
   91  
    0  
   93    94    95    96    99   100   101   102    97    98  
   94    95    96    99    97    98  
   95    96    99   100   101   102   103    97    98  
   96    99   100   101   102    97  
   99   100   101   102    97  
   98    99  
    0  
  100   101   102   103   104   105   106  
  101   102   103  
  102   103  
  103   104   105   106  
  104   105   106  
  105   106  
  106  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.005600   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   90   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   91   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    38   268.000  1.529
   33    39   268.000  1.529
   37    43   465.000  1.376
   37    62   317.000  1.510
   43    44   745.000  1.250
   43    47   270.000  1.512
   47    48   340.000  1.090
   47    55   268.000  1.529
   47   102   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    68   317.000  1.510
   68    69   340.000  1.080
   68    75   549.000  1.340
   75    86   317.000  1.510
   75   102   317.000  1.510
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    92   268.000  1.529
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    97   320.000  1.410
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   97    98   553.000  0.945
   62    63   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    38   268.000  1.529
   38    45   268.000  1.529
   38    67   320.000  1.410
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   268.000  1.529
   49    50   340.000  1.090
   49    57   268.000  1.529
   49    89   367.000  1.471
   57    58   340.000  1.090
   57    64   268.000  1.529
   57    67   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    73   268.000  1.529
   73    74   340.000  1.090
   73    79   268.000  1.529
   73    82   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    89   367.000  1.471
   89    90   434.000  1.010
   89    91   434.000  1.010
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    38    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    43    70.00000  124.00000
   33    37    62    65.00000  117.92700
   33    38    76    58.35000  112.70000
   33    38    45    58.35000  112.70000
   33    38    67    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    47    65.00000  122.18000
   37    62    55    70.00000  112.02700
   37    62    63    35.00000  109.50000
   37    62    70    70.00000  112.02700
   43    47    48    45.00000  110.52000
   43    47    55    70.00000  112.02700
   43    47   102    70.00000  112.02700
   47    43    44    85.00000  112.85300
   47    55    56    37.50000  110.70000
   47    55    59    58.35000  112.70000
   47    55    62    58.35000  112.70000
   47   102    75    70.00000  112.02700
   47   102    99    58.35000  112.70000
   47   102   103    58.35000  112.70000
   55    47    48    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    68    70.00000  112.02700
   55    62    63    37.50000  110.70000
   55    62    70    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    68    69    35.00000  117.00000
   59    68    75    70.00000  124.00000
   61    59    60    33.00000  107.80000
   68    59    60    35.00000  109.50000
   68    59    61    35.00000  109.50000
   68    75    86    70.00000  124.00000
   68    75   102    70.00000  124.00000
   75    68    69    35.00000  120.00000
   75    86    87    35.00000  109.50000
   75    86    88    35.00000  109.50000
   75    86    92    70.00000  112.02700
   75   102    99    70.00000  112.02700
   75   102   103    70.00000  112.02700
   86    92    93    37.50000  110.70000
   86    92    94    58.35000  112.70000
   86    92    97    50.00000  109.50000
   88    86    87    33.00000  107.80000
   92    86    87    37.50000  110.70000
   92    86    88    37.50000  110.70000
   92    94    95    37.50000  110.70000
   92    94    96    37.50000  110.70000
   92    94    99    58.35000  112.70000
   92    97    98    55.00000  108.50000
   94    92    93    37.50000  110.70000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   102    58.35000  112.70000
   96    94    95    33.00000  107.80000
   99    94    95    37.50000  110.70000
   99    94    96    37.50000  110.70000
   99   102   103    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    47    48    37.50000  110.70000
  102    47    55    58.35000  112.70000
  102    75    86    65.00000  117.92700
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   103   104    37.50000  110.70000
  102   103   105    37.50000  110.70000
  102   103   106    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   97    92    93    35.00000  109.50000
   97    92    94    50.00000  109.50000
   62    37    43    70.00000  124.00000
   62    55    56    37.50000  110.70000
   62    55    59    58.35000  112.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    76    58.35000  112.70000
   70    62    63    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    38    58.35000  112.70000
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   76    38    45    58.35000  112.70000
   76    38    67    50.00000  109.50000
   78    76    77    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    76    77    37.50000  110.70000
   38    76    78    37.50000  110.70000
   38    45    46    37.50000  110.70000
   38    45    49    58.35000  112.70000
   38    45    51    58.35000  112.70000
   38    67    57    60.00000  109.50000
   45    49    50    37.50000  110.70000
   45    49    57    58.35000  112.70000
   45    49    89    80.00000  111.20000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    54    37.50000  110.70000
   49    45    46    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    64    58.35000  112.70000
   49    57    67    50.00000  109.50000
   49    89    79    75.00000  113.01200
   49    89    90    35.00000  109.50000
   49    89    91    35.00000  109.50000
   57    49    50    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    73    58.35000  112.70000
   64    57    58    37.50000  110.70000
   64    73    74    37.50000  110.70000
   64    73    79    58.35000  112.70000
   64    73    82    58.35000  112.70000
   66    64    65    33.00000  107.80000
   73    64    65    37.50000  110.70000
   73    64    66    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    89    80.00000  111.20000
   73    82    83    37.50000  110.70000
   73    82    84    37.50000  110.70000
   73    82    85    37.50000  110.70000
   79    73    74    37.50000  110.70000
   79    89    90    35.00000  109.50000
   79    89    91    35.00000  109.50000
   81    79    80    33.00000  107.80000
   89    49    50    35.00000  109.50000
   89    49    57    80.00000  111.20000
   89    79    80    35.00000  109.50000
   89    79    81    35.00000  109.50000
   91    89    90    35.00000  109.50000
   82    73    74    37.50000  110.70000
   82    73    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
   67    38    45    50.00000  109.50000
   67    57    58    35.00000  109.50000
   67    57    64    50.00000  109.50000
   51    45    46    37.50000  110.70000
   51    45    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    38    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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
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   38    33    39    42   0.15000  1.0 3.0
   38    45    49    50   0.15000  1.0 3.0
   38    45   -49    57   0.56750  1.0 1.0
   38    45   -49    57  -0.07550 -1.0 2.0
   38    45   -49    57   0.20000  1.0 3.0
   38    45    49    89   1.36600  1.0 1.0
   38    45    49    89  -0.11450 -1.0 2.0
   38    45    49    89   0.24250  1.0 3.0
   38    45    51    52   0.15000  1.0 3.0
   38    45    51    53   0.15000  1.0 3.0
   38    45    51    54   0.15000  1.0 3.0
   45    38   -67    57   0.06250  1.0 1.0
   45    38   -67    57  -0.01100 -1.0 2.0
   45    38   -67    57   0.28050  1.0 3.0
   45    49    57    58   0.15000  1.0 3.0
   45    49    57    64   0.56750  1.0 1.0
   45    49    57    64  -0.07550 -1.0 2.0
   45    49    57    64   0.20000  1.0 3.0
   45    49   -57    67   0.62750  1.0 1.0
   45    49   -57    67  -0.30950 -1.0 2.0
   45    49   -57    67   0.27300  1.0 3.0
   45    49    89    79   0.47100  1.0 1.0
   45    49    89    90   0.17350  1.0 3.0
   45    49    89    91   0.17350  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    57   0.15000  1.0 3.0
   46    45    49    89   0.19200  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53   0.15000  1.0 3.0
   46    45    51    54   0.15000  1.0 3.0
   49    45    51    52   0.15000  1.0 3.0
   49    45    51    53   0.15000  1.0 3.0
   49    45    51    54   0.15000  1.0 3.0
   49    57    64    65   0.15000  1.0 3.0
   49    57    64    66   0.15000  1.0 3.0
   49    57    64    73   0.56750  1.0 1.0
   49    57    64    73  -0.07550 -1.0 2.0
   49    57    64    73   0.20000  1.0 3.0
   49    57   -67    38   0.06250  1.0 1.0
   49    57   -67    38  -0.01100 -1.0 2.0
   49    57   -67    38   0.28050  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    64   0.15000  1.0 3.0
   50    49    57    67   0.23400  1.0 3.0
   50    49    89    79   0.15000  1.0 3.0
   50    49    89    90   0.13050  1.0 3.0
   50    49    89    91   0.13050  1.0 3.0
   57    49    89    79   0.47100  1.0 1.0
   57    49    89    90   0.17350  1.0 3.0
   57    49    89    91   0.17350  1.0 3.0
   57    64    73    74   0.15000  1.0 3.0
   57    64   -73    79   0.56750  1.0 1.0
   57    64   -73    79  -0.07550 -1.0 2.0
   57    64   -73    79   0.20000  1.0 3.0
   57    64    73    82   0.56750  1.0 1.0
   57    64    73    82  -0.07550 -1.0 2.0
   57    64    73    82   0.20000  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    73   0.15000  1.0 3.0
   58    57    67    38   0.37050  1.0 3.0
   64    57    67    38   0.06250  1.0 1.0
   64    57    67    38  -0.01100 -1.0 2.0
   64    57    67    38   0.28050  1.0 3.0
   64    73    79    80   0.15000  1.0 3.0
   64    73    79    81   0.15000  1.0 3.0
   64    73    79    89   1.36600  1.0 1.0
   64    73    79    89  -0.11450 -1.0 2.0
   64    73    79    89   0.24250  1.0 3.0
   64    73    82    83   0.15000  1.0 3.0
   64    73    82    84   0.15000  1.0 3.0
   64    73    82    85   0.15000  1.0 3.0
   65    64    73    74   0.15000  1.0 3.0
   65    64    73    79   0.15000  1.0 3.0
   65    64    73    82   0.15000  1.0 3.0
   66    64    73    74   0.15000  1.0 3.0
   66    64    73    79   0.15000  1.0 3.0
   66    64    73    82   0.15000  1.0 3.0
   73    79   -89    49   0.47100  1.0 1.0
   73    79    89    90   0.17350  1.0 3.0
   73    79    89    91   0.17350  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    89   0.19200  1.0 3.0
   74    73    82    83   0.15000  1.0 3.0
   74    73    82    84   0.15000  1.0 3.0
   74    73    82    85   0.15000  1.0 3.0
   79    73    82    83   0.15000  1.0 3.0
   79    73    82    84   0.15000  1.0 3.0
   79    73    82    85   0.15000  1.0 3.0
   80    79    89    49   0.15000  1.0 3.0
   80    79    89    90   0.13050  1.0 3.0
   80    79    89    91   0.13050  1.0 3.0
   81    79    89    49   0.15000  1.0 3.0
   81    79    89    90   0.13050  1.0 3.0
   81    79    89    91   0.13050  1.0 3.0
   89    49    57    58   0.19200  1.0 3.0
   89    49   -57    64   1.36600  1.0 1.0
   89    49   -57    64  -0.11450 -1.0 2.0
   89    49   -57    64   0.24250  1.0 3.0
   89    49    57    67   1.69300  1.0 1.0
   89    49    57    67  -0.48450 -1.0 2.0
   82    73    79    80   0.15000  1.0 3.0
   82    73    79    81   0.15000  1.0 3.0
   82    73    79    89   1.36600  1.0 1.0
   82    73    79    89  -0.11450 -1.0 2.0
   82    73    79    89   0.24250  1.0 3.0
   67    38    45    46   0.23400  1.0 3.0
   67    38   -45    49   0.62750  1.0 1.0
   67    38   -45    49  -0.30950 -1.0 2.0
   67    38   -45    49   0.27300  1.0 3.0
   67    38    45    51   0.62750  1.0 1.0
   67    38    45    51  -0.30950 -1.0 2.0
   67    38    45    51   0.27300  1.0 3.0
   67    57    64    65   0.23400  1.0 3.0
   67    57    64    66   0.23400  1.0 3.0
   67    57    64    73   0.62750  1.0 1.0
   67    57    64    73  -0.30950 -1.0 2.0
   67    57    64    73   0.27300  1.0 3.0
   51    45    49    50   0.15000  1.0 3.0
   51    45    49    57   0.56750  1.0 1.0
   51    45    49    57  -0.07550 -1.0 2.0
   51    45    49    57   0.20000  1.0 3.0
   51    45    49    89   1.36600  1.0 1.0
   51    45    49    89  -0.11450 -1.0 2.0
   51    45    49    89   0.24250  1.0 3.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    37    62   0.46850  1.0 1.0
   39    33    37    62   0.08550 -1.0 2.0
   39    33    37    62   0.09800  1.0 3.0
   39    33    38    76   0.56750  1.0 1.0
   39    33    38    76  -0.07550 -1.0 2.0
   39    33    38    76   0.20000  1.0 3.0
   39    33    38    45   0.56750  1.0 1.0
   39    33    38    45  -0.07550 -1.0 2.0
   39    33    38    45   0.20000  1.0 3.0
   39    33    38    67   0.62750  1.0 1.0
   39    33    38    67  -0.30950 -1.0 2.0
   39    33    38    67   0.27300  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
   33    62    37    43   1.10000 -1.0 2.0
   47    44    43    37   1.10000 -1.0 2.0
   59    69    68    75   1.10000 -1.0 2.0
   86   102    75    68   1.10000 -1.0 2.0
END
