* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    226    366     685
    1     0 S   NP   _N1_     1    28.68880    94.29131   -21.48552
    2     1 S   H    _HN1     2     1.02777    92.37941   -78.76601
    3     1 S   H    _H1_     3     1.02958    91.93375    29.67001
    4     1 S   H    _H2_     4     1.02835    27.19594   154.92574
    5     1 S   CT   _CA1     5     1.50139   137.93366   153.56910
    6     5 S   HC   _HA1     6     1.09578   105.21270    59.90604
    7     5 S   CO3  _C1_     7     1.53794   112.23683   -60.23188
    8     7 S   O2Z  _O11     8     1.26365   114.98906   -46.39951
    9     7 S   O2Z  _O12     9     1.26234   114.88245   132.48119
   10     5 S   CT   _CB1    10     1.53071   107.39303   177.71355
   11    10 S   HC   HB11    11     1.09825   109.30610   -50.81470
   12    10 S   HC   HB12    12     1.09820   110.45201    65.72748
   13    10 S   CT   _CG1    13     1.53007   112.67755  -171.91716
   14    13 S   HC   HG11    14     1.09567   110.38931   -63.55137
   15    13 S   HC   HG12    15     1.09647   110.03800    55.64190
   16    13 S   C    _CD1    16     1.51830   112.21749   175.87417
   17    16 S   O    _OE1    17     1.22740   123.22000    -4.14208
   18    16 S   N    _N2_    18     1.38621   111.73131   176.22016
   19    18 S   H    _HN2    19     1.01598   118.99442     0.48011
   20    18 S   CT1  _CA2    20     1.46281   123.34602  -179.40587
   21    20 S   HC   _HA2    21     1.09736   109.38448   -10.52243
   22    20 S   C    _C2_    22     1.53433   108.49502  -126.21961
   23    22 S   O    _O2_    23     1.23023   122.16807  -146.76832
   24    20 S   CT   _CB2    32     1.53542   111.35603   111.52266
   25    24 S   HC   HB21    33     1.09253   109.14097    57.41441
   26    24 S   HC   HB22    34     1.09496   110.15393   175.61126
   27    22 S   N    _N3_    24     1.38484   113.42615    40.62829
   28    27 S   H    _HN3    25     1.01527   118.89358    -0.87424
   29    24 S   S    _SG2    35     1.82964   111.09544   -65.38823
   30    27 S   CT   _CA3    26     1.45458   123.58118   175.17269
   31    30 S   HC   HA31    27     1.09515   109.39581    21.11200
   32    30 S   HC   HA32    28     1.09502   107.08145   138.13521
   33    29 S   CT   _C24    36     1.90171   103.15427   156.06075
   34    30 S   CO3  _C3_    29     1.52916   113.01042  -102.47951
   35    34 S   O2Z  _O31    30     1.26410   115.36703   -45.36378
   36    34 S   O2Z  _O32    31     1.26349   115.00890   135.54925
   37    33 S   CT   _C29    37     1.54196   106.75292   -69.00392
   38    37 S   HC   _H42    38     1.09507   111.71263   175.62283
   39    37 S   HC   _H43    39     1.09412   112.17189    57.81669
   40    33 S   CT   _C23   101     1.54498   109.11029    51.20972
   41    40 S   HC   _H36   102     1.09590   111.43119   -58.96206
   42    40 S   HC   _H37   103     1.09677   109.88494  -173.95311
   43    37 S   CO4  _C28    40     1.51593   111.36078   -63.84155
   44    43 S   O    _O33    41     1.23138   120.98729   136.40221
   45    43 S   CT   _C27    42     1.51234   117.56707   -49.13969
   46    45 S   HC   _H40    43     1.09593   108.55829   164.33103
   47    45 S   HC   _H41    44     1.09499   107.72941   -79.84376
   48    45 S   CT   _C26    45     1.53039   113.21292    43.09323
   49    48 S   HC   _H38    46     1.09629   108.97038    77.95841
   50    48 S   HC   _H39    47     1.09615   107.42685  -168.71182
   51    33 S   CT   _C25    48     1.59742   110.53740   171.74212
   52    51 S   CT   _C20    49     1.58254   109.22407   -63.21998
   53    52 S   HC   _H7_    50     1.09589   106.18517    60.96731
   54    51 S   CT   _C30   108     1.56308   111.63277   176.45790
   55    54 S   HC   _H44   109     1.09201   113.04040    60.90528
   56    54 S   HC   _H45   110     1.09294   112.75700   -59.86309
   57    54 S   HC   _H46   111     1.09460   111.52807  -178.74820
   58    52 S   CT   _C19    51     1.54640   115.02003   175.48282
   59    58 S   HC   _H32    52     1.09328   112.16398     5.03474
   60    58 S   HC   _H33    53     1.09732   108.40903  -109.94346
   61    58 S   CT   _C18    54     1.52803   114.46955   127.92404
   62    61 S   HC   _H30    55     1.09255   108.13095   175.56354
   63    61 S   HC   _H31    56     1.09879   107.73361   -71.35884
   64    61 S   CT   _C17    57     1.54642   114.74280    50.79929
   65    64 S   CT   _C16    58     1.57100   110.71305   -46.42601
   66    65 S   HC   _H6_    59     1.10012   108.76065  -124.18237
   67    64 S   CT   _C31   104     1.54586   108.16075  -164.16934
   68    67 S   HC   _H47   105     1.09552   111.51081  -177.58995
   69    67 S   HC   _H48   106     1.09668   110.77706    63.01731
   70    67 S   HC   _H49   107     1.09306   112.29454   -56.30897
   71    65 S   CT   _C15    60     1.53109   106.04157   122.02093
   72    71 S   HC   _H28    61     1.09418   112.35131   -92.58669
   73    71 S   HC   _H29    62     1.09487   111.91484   146.38254
   74    52 S   CT   _C21    96     1.55273   111.91440   -55.75620
   75    74 S   HC   _H8_    97     1.09785   108.23881   -64.23971
   76    71 S   CT   _C14    63     1.51416   104.31290    25.84195
   77    76 S   HC   _H26    64     1.09630   110.72882    77.23436
   78    76 S   HC   _H27    65     1.09403   109.99602  -162.88078
   79    74 S   CT   _C22    98     1.53817   112.61884    52.56510
   80    79 S   HC   _H34    99     1.09735   109.20802  -171.33982
   81    79 S   HC   _H35   100     1.09494   110.53885    72.68957
   82    64 S   CT   _C13    66     1.57655   113.24926    70.94431
   83    82 S   HC   _H5_    67     1.09865   108.42187   -32.75193
   84    82 S   CT   _C5_    68     1.56586   119.02109    89.56425
   85    84 S   HC   _H3_    69     1.09702   108.86027    55.36116
   86    84 S   CT   _C4_    70     1.53360   111.74540   -63.79306
   87    86 S   HC   _H9_    71     1.09490   111.13810   -60.21064
   88    86 S   HC   _H10    72     1.09054   112.00678    61.23247
   89    86 S   HC   _H11    73     1.09334   111.81735   178.76901
   90    84 S   CT   _C6_    74     1.55610   110.82440   172.52956
   91    90 S   HC   _H12    75     1.09245   108.01983   -58.52652
   92    90 S   HC   _H13    76     1.09705   109.57408    57.97206
   93    90 S   CT   _C7_    77     1.53585   114.82067  -178.65419
   94    93 S   HC   _H14    78     1.09581   108.89113   -63.23149
   95    93 S   HC   _H15    79     1.09630   109.65745    52.90495
   96    93 S   CT   _C8_    80     1.54987   114.16759   177.18117
   97    96 S   HC   _H4_    81     1.09924   106.85072    59.65211
   98    96 S   CT   _C9_    82     1.53659   108.45144   174.26537
   99    98 S   HC   _H16    83     1.09430   111.69978    65.12461
  100    98 S   HC   _H17    84     1.09587   110.54932   -54.56911
  101    98 S   HC   _H18    85     1.09369   111.67364  -173.26874
  102    96 S   CT   _C10    86     1.55644   114.46930   -58.55898
  103   102 S   HC   _H19    87     1.09672   107.82870    61.04305
  104   102 S   CT   _C11    88     1.53370   112.08447   176.91206
  105   104 S   HC   _H20    89     1.09450   111.97594    70.89858
  106   104 S   HC   _H21    90     1.09491   110.94504   -50.45585
  107   104 S   HC   _H22    91     1.09573   110.37064  -169.61016
  108   102 S   CT   _C12    92     1.53094   113.92470   -58.00318
  109   108 S   HC   _H23    93     1.09426   111.79653   -61.91060
  110   108 S   HC   _H24    94     1.09380   111.53464    59.55896
  111   108 S   HC   _H25    95     1.09579   110.42770   178.45769
  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  20   9   5   2   1   1  12   6   5  15   5   4  21
  19   9   9   3   2   1  11   6   5   6   3   8   4   3   2   1
   1  11   4  12   8   7   3   2   1   9   5   4  12   5   4  15
   8   7   3   2   1   9   8   7   3   2   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    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    79    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    74    79    80    81    40    41    42    54    55    56    57  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    79    40    41    42    54  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    54    43    48    51    52    65    74    75    79    80    81  
   42    51    74    79    80    81  
   51    74    79    80    81  
   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    74    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    60    61    65    74    75    79    54    55    56    57  
   53    58    59    60    61    62    63    64    65    66    71    74    75    79    80    81    54    55    56    57  
   58    59    60    61    65    74    75    79    54  
   55    56    57    58    74  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    82    74    75    79    67  
   60    61    62    63    64    74  
   61    62    63    64    74  
   62    63    64    65    66    71    76    82    83    84    74    67    68    69    70  
   63    64    65    82    67  
   64    65    82    67  
   65    66    71    72    73    76    77    78    82    83    84    85    86    90    74    75    79    67    68    69    70  
   66    71    72    73    76    77    78    82    83    84    74    75    79    80    81    67    68    69    70  
   71    72    73    76    82    74    75    79    67  
   68    69    70    71    74    76    82    83    84  
   69    70    82  
   70    82  
   82  
   72    73    76    77    78    82    83    84    74    75    79  
   73    76    77    78    82    74  
   76    77    78    82    74  
   75    79    80    81    76    82  
   79    80    81  
   77    78    82    83    84    85    86    90  
   78    82    83    84  
   82    83    84  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89    90    91    92    93  
   84    85    86    90  
   85    86    87    88    89    90    91    92    93    94    95    96  
   86    87    88    89    90    91    92    93  
   87    88    89    90    91    92    93  
   88    89    90  
   89    90  
   90  
   91    92    93    94    95    96    97    98   102  
   92    93    94    95    96  
   93    94    95    96  
   94    95    96    97    98    99   100   101   102   103   104   108  
   95    96    97    98   102  
   96    97    98   102  
   97    98    99   100   101   102   103   104   105   106   107   108   109   110   111  
   98    99   100   101   102   103   104   108  
   99   100   101   102   103   104   108  
  100   101   102  
  101   102  
  102  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108  
  108  
  109   110   111  
  110   111  
  111  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   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   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   340.000  1.090
   52    58   268.000  1.529
   52    74   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   268.000  1.529
   64    82   268.000  1.529
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    90   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   268.000  1.529
   96    97   340.000  1.090
   96    98   268.000  1.529
   96   102   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  102   103   340.000  1.090
  102   104   268.000  1.529
  102   108   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   74    75   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   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    79    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    37.50000  110.70000
   51    52    58    58.35000  112.70000
   51    52    74    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    60    37.50000  110.70000
   52    58    61    58.35000  112.70000
   52    74    65    58.35000  112.70000
   52    74    75    37.50000  110.70000
   52    74    79    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    58.35000  112.70000
   61    64    82    58.35000  112.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    65    66    37.50000  110.70000
   64    65    71    58.35000  112.70000
   64    65    74    58.35000  112.70000
   64    82    76    58.35000  112.70000
   64    82    83    37.50000  110.70000
   64    82    84    58.35000  112.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    76    58.35000  112.70000
   65    74    75    37.50000  110.70000
   65    74    79    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    82    58.35000  112.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    64    65    58.35000  112.70000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    84    85    37.50000  110.70000
   82    84    86    58.35000  112.70000
   82    84    90    58.35000  112.70000
   84    82    83    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    88    37.50000  110.70000
   84    86    89    37.50000  110.70000
   84    90    91    37.50000  110.70000
   84    90    92    37.50000  110.70000
   84    90    93    58.35000  112.70000
   86    84    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    84    85    37.50000  110.70000
   90    84    86    58.35000  112.70000
   90    93    94    37.50000  110.70000
   90    93    95    37.50000  110.70000
   90    93    96    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   93    96    97    37.50000  110.70000
   93    96    98    58.35000  112.70000
   93    96   102    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    37.50000  110.70000
   96    98    99    37.50000  110.70000
   96    98   100    37.50000  110.70000
   96    98   101    37.50000  110.70000
   96   102   103    37.50000  110.70000
   96   102   104    58.35000  112.70000
   96   102   108    58.35000  112.70000
   98    96    97    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  102    96    97    37.50000  110.70000
  102    96    98    58.35000  112.70000
  102   104   105    37.50000  110.70000
  102   104   106    37.50000  110.70000
  102   104   107    37.50000  110.70000
  102   108   109    37.50000  110.70000
  102   108   110    37.50000  110.70000
  102   108   111    37.50000  110.70000
  104   102   103    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108   102   103    37.50000  110.70000
  108   102   104    58.35000  112.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   74    52    53    37.50000  110.70000
   74    52    58    58.35000  112.70000
   74    65    66    37.50000  110.70000
   74    65    71    58.35000  112.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    40    58.35000  112.70000
   79    74    75    37.50000  110.70000
   79    40    41    37.50000  110.70000
   79    40    42    37.50000  110.70000
   81    79    80    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    79    80    37.50000  110.70000
   40    79    81    37.50000  110.70000
   42    40    41    33.00000  107.80000
   67    64    65    58.35000  112.70000
   67    64    82    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   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
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   83    82    84    90   0.15000  1.0 3.0
   84    90    93    94   0.15000  1.0 3.0
   84    90    93    95   0.15000  1.0 3.0
   84    90    93    96   0.56750  1.0 1.0
   84    90    93    96  -0.07550 -1.0 2.0
   84    90    93    96   0.20000  1.0 3.0
   85    84    86    87   0.15000  1.0 3.0
   85    84    86    88   0.15000  1.0 3.0
   85    84    86    89   0.15000  1.0 3.0
   85    84    90    91   0.15000  1.0 3.0
   85    84    90    92   0.15000  1.0 3.0
   85    84    90    93   0.15000  1.0 3.0
   86    84    90    91   0.15000  1.0 3.0
   86    84    90    92   0.15000  1.0 3.0
   86    84    90    93   0.56750  1.0 1.0
   86    84    90    93  -0.07550 -1.0 2.0
   86    84    90    93   0.20000  1.0 3.0
   90    84    86    87   0.15000  1.0 3.0
   90    84    86    88   0.15000  1.0 3.0
   90    84    86    89   0.15000  1.0 3.0
   90    93    96    97   0.15000  1.0 3.0
   90    93    96    98   0.56750  1.0 1.0
   90    93    96    98  -0.07550 -1.0 2.0
   90    93    96    98   0.20000  1.0 3.0
   90    93    96   102   0.56750  1.0 1.0
   90    93    96   102  -0.07550 -1.0 2.0
   90    93    96   102   0.20000  1.0 3.0
   91    90    93    94   0.15000  1.0 3.0
   91    90    93    95   0.15000  1.0 3.0
   91    90    93    96   0.15000  1.0 3.0
   92    90    93    94   0.15000  1.0 3.0
   92    90    93    95   0.15000  1.0 3.0
   92    90    93    96   0.15000  1.0 3.0
   93    96    98    99   0.15000  1.0 3.0
   93    96    98   100   0.15000  1.0 3.0
   93    96    98   101   0.15000  1.0 3.0
   93    96   102   103   0.15000  1.0 3.0
   93    96   102   104   0.56750  1.0 1.0
   93    96   102   104  -0.07550 -1.0 2.0
   93    96   102   104   0.20000  1.0 3.0
   93    96   102   108   0.56750  1.0 1.0
   93    96   102   108  -0.07550 -1.0 2.0
   93    96   102   108   0.20000  1.0 3.0
   94    93    96    97   0.15000  1.0 3.0
   94    93    96    98   0.15000  1.0 3.0
   94    93    96   102   0.15000  1.0 3.0
   95    93    96    97   0.15000  1.0 3.0
   95    93    96    98   0.15000  1.0 3.0
   95    93    96   102   0.15000  1.0 3.0
   96   102   104   105   0.15000  1.0 3.0
   96   102   104   106   0.15000  1.0 3.0
   96   102   104   107   0.15000  1.0 3.0
   96   102   108   109   0.15000  1.0 3.0
   96   102   108   110   0.15000  1.0 3.0
   96   102   108   111   0.15000  1.0 3.0
   97    96    98    99   0.15000  1.0 3.0
   97    96    98   100   0.15000  1.0 3.0
   97    96    98   101   0.15000  1.0 3.0
   97    96   102   103   0.15000  1.0 3.0
   97    96   102   104   0.15000  1.0 3.0
   97    96   102   108   0.15000  1.0 3.0
   98    96   102   103   0.15000  1.0 3.0
   98    96   102   104   0.56750  1.0 1.0
   98    96   102   104  -0.07550 -1.0 2.0
   98    96   102   104   0.20000  1.0 3.0
   98    96   102   108   0.56750  1.0 1.0
   98    96   102   108  -0.07550 -1.0 2.0
   98    96   102   108   0.20000  1.0 3.0
  102    96    98    99   0.15000  1.0 3.0
  102    96    98   100   0.15000  1.0 3.0
  102    96    98   101   0.15000  1.0 3.0
  103   102   104   105   0.15000  1.0 3.0
  103   102   104   106   0.15000  1.0 3.0
  103   102   104   107   0.15000  1.0 3.0
  103   102   108   109   0.15000  1.0 3.0
  103   102   108   110   0.15000  1.0 3.0
  103   102   108   111   0.15000  1.0 3.0
  104   102   108   109   0.15000  1.0 3.0
  104   102   108   110   0.15000  1.0 3.0
  104   102   108   111   0.15000  1.0 3.0
  108   102   104   105   0.15000  1.0 3.0
  108   102   104   106   0.15000  1.0 3.0
  108   102   104   107   0.15000  1.0 3.0
   74    52    58    59   0.15000  1.0 3.0
   74    52    58    60   0.15000  1.0 3.0
   74    52   -58    61   0.56750  1.0 1.0
   74    52   -58    61  -0.07550 -1.0 2.0
   74    52   -58    61   0.20000  1.0 3.0
   74    65    71    72   0.15000  1.0 3.0
   74    65    71    73   0.15000  1.0 3.0
   74    65    71    76   0.56750  1.0 1.0
   74    65    71    76  -0.07550 -1.0 2.0
   74    65    71    76   0.20000  1.0 3.0
   74    79   -40    33   0.56750  1.0 1.0
   74    79   -40    33  -0.07550 -1.0 2.0
   74    79   -40    33   0.20000  1.0 3.0
   74    79    40    41   0.15000  1.0 3.0
   74    79    40    42   0.15000  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    40   0.15000  1.0 3.0
   80    79    40    33   0.15000  1.0 3.0
   80    79    40    41   0.15000  1.0 3.0
   80    79    40    42   0.15000  1.0 3.0
   81    79    40    33   0.15000  1.0 3.0
   81    79    40    41   0.15000  1.0 3.0
   81    79    40    42   0.15000  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  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33   -51    52   0.56750  1.0 1.0
   40    33   -51    52  -0.07550 -1.0 2.0
   40    33   -51    52   0.20000  1.0 3.0
   40    33    51    54   0.56750  1.0 1.0
   40    33    51    54  -0.07550 -1.0 2.0
   40    33    51    54   0.20000  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.56750  1.0 1.0
   67    64    65    71  -0.07550 -1.0 2.0
   67    64    65    71   0.20000  1.0 3.0
   67    64    65    74   0.56750  1.0 1.0
   67    64    65    74  -0.07550 -1.0 2.0
   67    64    65    74   0.20000  1.0 3.0
   67    64    82    76   0.56750  1.0 1.0
   67    64    82    76  -0.07550 -1.0 2.0
   67    64    82    76   0.20000  1.0 3.0
   67    64    82    83   0.15000  1.0 3.0
   67    64    82    84   0.56750  1.0 1.0
   67    64    82    84  -0.07550 -1.0 2.0
   67    64    82    84   0.20000  1.0 3.0
   54    51    52    53   0.15000  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    74   0.56750  1.0 1.0
   54    51    52    74  -0.07550 -1.0 2.0
   54    51    52    74   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
END
