* LIGAND DATABASE FILE (OPLS2005)
*
001     109   113    225    368     675
    1     0 S   NP   _N1_     1    28.50723    91.31891   -25.68409
    2     1 S   H    _HN1     2     1.02790   114.97504   -91.28975
    3     1 S   H    _H1_     3     1.02949    91.67759    19.90048
    4     1 S   H    _H2_     4     1.02828    15.43032  -156.84191
    5     1 S   CT   _CA1     5     1.50116   117.02592   133.89372
    6     5 S   HC   _HA1     6     1.09574   105.18123    74.67983
    7     5 S   CO3  _C1_     7     1.53781   112.47524   -45.54273
    8     7 S   O2Z  _O11     8     1.26374   115.00794   -42.41028
    9     7 S   O2Z  _O12     9     1.26240   114.94361   136.68423
   10     5 S   CT   _CB1    10     1.53072   107.41499  -167.34463
   11    10 S   HC   HB11    11     1.09836   109.35009   -49.60194
   12    10 S   HC   HB12    12     1.09812   110.46090    67.00108
   13    10 S   CT   _CG1    13     1.53000   112.61825  -170.56493
   14    13 S   HC   HG11    14     1.09579   110.66700   -66.38026
   15    13 S   HC   HG12    15     1.09671   109.75253    52.85891
   16    13 S   C    _CD1    16     1.51803   112.15034   173.31798
   17    16 S   O    _OE1    17     1.22741   123.24959     8.84558
   18    16 S   N    _N2_    18     1.38645   111.71842  -171.16604
   19    18 S   H    _HN2    19     1.01574   118.96081     1.51388
   20    18 S   CT1  _CA2    20     1.46222   123.42554   177.38865
   21    20 S   HC   _HA2    21     1.09736   109.31467     5.96098
   22    20 S   C    _C2_    22     1.53625   108.78599  -109.59160
   23    22 S   O    _O2_    23     1.23076   122.26592  -148.37976
   24    20 S   CT   _CB2    32     1.53328   111.56072   127.94566
   25    24 S   HC   HB21    33     1.09585   109.96527    56.51430
   26    24 S   HC   HB22    34     1.09397   110.02839   175.53248
   27    22 S   N    _N3_    24     1.38323   113.81142    39.09558
   28    27 S   H    _HN3    25     1.01560   119.60923    -3.19457
   29    24 S   S    _SG2    35     1.82749   111.49326   -64.32978
   30    27 S   CT   _CA3    26     1.45288   123.25227   177.18360
   31    30 S   HC   HA31    27     1.09549   107.50191   -64.93189
   32    30 S   HC   HA32    28     1.09557   108.00228    51.51999
   33    29 S   CT   _C8_    36     1.86696    99.70449   174.45691
   34    33 S   HC   _H4_    37     1.09763   105.29927   -30.11506
   35    30 S   CO3  _C3_    29     1.52971   114.05700   173.52543
   36    35 S   O2Z  _O31    30     1.26380   116.07197    -0.56993
   37    35 S   O2Z  _O32    31     1.26425   114.41879   179.49217
   38    33 S   CT   _C7_    38     1.55428   105.60073    85.11290
   39    38 S   HC   _H16    39     1.09676   110.08777   -45.13435
   40    38 S   HC   _H17    40     1.09777   109.63460    69.11049
   41    33 S   CT   _C9_   100     1.57977   110.89249  -147.22188
   42    41 S   OM   _O33   101     1.32337   109.27992   167.21687
   43    38 S   CT   _C6_    41     1.53892   117.48368  -167.62246
   44    43 S   HC   _H14    42     1.09885   107.25164   177.30260
   45    43 S   HC   _H15    43     1.09409   108.16404   -69.79202
   46    41 S   CT   _C10   102     1.54210   113.20835   -72.65112
   47    46 S   HC   _H18   103     1.09713   112.66258   -62.90450
   48    46 S   HC   _H19   104     1.09563   111.35518    58.05071
   49    46 S   HC   _H20   105     1.09886   111.70838   177.24750
   50    41 S   CT   _C11   106     1.55135   112.13362    50.67176
   51    50 S   HC   _H21   107     1.09828   111.72727    49.88275
   52    50 S   HC   _H22   108     1.09574   111.88758   -70.93210
   53    50 S   HC   _H23   109     1.09946   112.16666   170.17849
   54    43 S   CT   _C5_    44     1.55462   117.01880    55.55094
   55    54 S   HC   _H3_    45     1.09531   108.22111   -61.56178
   56    54 S   CT   _C12    46     1.56045   109.93127  -179.71538
   57    56 S   HC   _H5_    47     1.10094   107.03644   -58.33182
   58    54 S   CT   _C4_    96     1.53140   110.53091    56.08029
   59    58 S   HC   _H11    97     1.09472   111.31160    68.20619
   60    58 S   HC   _H12    98     1.09125   111.34572  -170.28983
   61    58 S   HC   _H13    99     1.09252   111.97407   -52.88086
   62    56 S   CT   _C13    48     1.55779   111.93914    58.58997
   63    62 S   HC   _H24    49     1.09522   112.02705    29.91290
   64    62 S   HC   _H25    50     1.09590   110.23320   -89.80162
   65    62 S   CT   _C14    51     1.53260   107.37052   149.77209
   66    65 S   HC   _H26    52     1.09479   111.24436   130.12406
   67    65 S   HC   _H27    53     1.09583   110.46393  -110.55413
   68    65 S   CT   _C15    54     1.52087   103.93034     9.18966
   69    68 S   HC   _H6_    55     1.10340   106.02620    78.34491
   70    68 S   CT   _C20    56     1.53639   117.67330  -162.80653
   71    70 S   HC   _H8_    57     1.09452   108.69548    61.12517
   72    70 S   CT   _C21    58     1.53991   110.13930   -55.96619
   73    72 S   HC   _H32    59     1.09767   110.33721   -38.30737
   74    72 S   HC   _H33    60     1.09700   108.83459    77.65171
   75    70 S   CT   _C19    76     1.56089   109.41891  -179.57204
   76    75 S   HC   _H7_    77     1.10129   106.28743    66.78843
   77    72 S   C3T  _C22    61     1.49291   114.49004  -160.46909
   78    77 S   HC   _H9_    62     1.08144   113.36999  -148.04777
   79    75 S   CT   _C18    78     1.55052   112.48610   -47.65767
   80    79 S   HC   _H30    79     1.09330   110.81330   -75.50261
   81    79 S   HC   _H31    80     1.09613   109.50170   167.81933
   82    77 S   C3T  _C23    63     1.51103   123.42964    11.97268
   83    79 S   CT   _C17    81     1.53753   114.22520    47.15404
   84    83 S   HC   _H28    82     1.09771   108.73282    68.46028
   85    83 S   HC   _H29    83     1.09269   107.88595  -176.71246
   86    82 S   CT   _C28    64     1.50493   120.42995  -166.13278
   87    86 S   HC   _H38    65     1.09624   110.62193    92.35977
   88    86 S   HC   _H39    66     1.09801   111.19768   -23.76841
   89    56 S   CT   _C16    84     1.56224   119.83363   179.07338
   90    77 S   O3T  _O35    95     1.43954   111.66307    77.30270
   91    86 S   CT   _C27    67     1.52816   110.33073  -144.87937
   92    91 S   HC   _H10    68     1.09684   109.41934    68.75700
   93    89 S   CT   _C30    85     1.54713   110.88781   -45.09426
   94    93 S   HC   _H44    86     1.09463   112.34553   -47.22851
   95    93 S   HC   _H45    87     1.09314   112.76830  -167.91323
   96    93 S   HC   _H46    88     1.09469   110.98006    72.59287
   97    91 S   CT   _C26    69     1.52936   111.78914   -52.61157
   98    97 S   HC   _H36    70     1.09670   109.97242   -70.34590
   99    97 S   HC   _H37    71     1.09728   109.31913   174.87100
  100    91 S   OH   _O34    93     1.42351   108.70473  -173.71026
  101   100 S   HO   _H40    94     0.97246   107.51637  -179.28399
  102    97 S   CT   _C25    72     1.53320   112.28775    53.23880
  103   102 S   HC   _H34    73     1.09813   107.99938    68.08605
  104   102 S   HC   _H35    74     1.09604   108.22351  -176.67981
  105    82 S   CT   _C24    75     1.52949   119.51467    -6.64151
  106   105 S   CT   _C29    89     1.55123   108.70249   -94.91791
  107   106 S   HC   _H41    90     1.09392   111.90453    60.75136
  108   106 S   HC   _H42    91     1.09423   112.30785   -57.96903
  109   106 S   HC   _H43    92     1.09341   112.05375  -177.34649
  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  10   5   4   3
  18   8   2   1   1  13   6   5  10   8  12   5   4   7   3   2
   1   3   2   1   1  15   8  23   9   5   2   1   1  11   6   5
  11   5   4  19   7  19   9  12   6   5  21   8  10   4  11   6
   5  16   8   3   2  13   7   6   4   4  10   6   3   2   1   1
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    46    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    54    41    42    46    47    48    49    50    51    52    53  
   38    39    40    43    41    42    46    50  
   36    37  
   37  
    0  
   39    40    43    44    45    54    55    56    58    41    42    46    50  
   40    43    44    45    54    41  
   43    44    45    54    41  
   42    46    47    48    49    50    51    52    53    43  
   46    47    48    49    50    51    52    53  
   44    45    54    55    56    57    62    89    58    59    60    61  
   45    54    55    56    58  
   54    55    56    58  
   47    48    49    50    51    52    53  
   48    49    50  
   49    50  
   50  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    62    63    64    65    68    83    89    93    58    59    60    61  
   56    57    62    89    58    59    60    61  
   57    62    63    64    65    66    67    68    69    70    79    83    84    85    89    93    94    95    96    58    59    60    61  
   62    63    64    65    68    83    89    93    58  
   59    60    61    62    89  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    70    83    89    93  
   64    65    66    67    68    89  
   65    66    67    68    89  
   66    67    68    69    70    71    72    75    83    89    93  
   67    68    69    70    89  
   68    69    70    89  
   69    70    71    72    73    74    77   105    75    76    79    83    84    85    89    93    94    95    96  
   70    71    72    75    83    89    93  
   71    72    73    74    77    78    82   102   105    75    76    79    80    81    83    89    93   106    90  
   72    73    74    77   105    75    76    79    89  
   73    74    77    78    82    86   105    75    76    79    89    90  
   74    77    78    82    75    90  
   77    78    82    75    90  
   76    79    80    81    83    84    85    89   106   107   108   109    90    77    82    86    97   102   103   104   105  
   79    80    81    83   106    82   102   105  
   78    82    86    87    88    91   102   105   106    90  
   82    86   105    90  
   80    81    83    84    85    89    93   106    82   102   105  
   81    83    84    85    89   105  
   83    84    85    89   105  
   86    87    88    91    92    97   102   103   104   105   106   107   108   109   100    90  
   84    85    89    93    94    95    96   105  
   85    89    93  
   89    93  
   87    88    91    92    97    98    99   102   105   106   100   101    90  
   88    91    92    97   105   100    90  
   91    92    97   105   100    90  
   93    94    95    96  
   91   102   105   106  
   92    97    98    99   102   103   104   105   100   101  
   97    98    99   102   100   101  
   94    95    96  
   95    96  
   96  
    0  
   98    99   102   103   104   105   106   100   101  
   99   102   103   104   105   100  
  102   103   104   105   100  
  101   102  
    0  
  103   104   105   106   107   108   109  
  104   105   106  
  105   106  
  106   107   108   109  
  107   108   109  
  108   109  
  109  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  101   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   268.000  1.529
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    89   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    89   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   275.000  1.510
   77    78   340.000  1.088
   77    82   260.000  1.509
   77    90   335.000  1.432
   82    86   275.000  1.510
   82   105   275.000  1.510
   82    90   335.000  1.432
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    91   268.000  1.529
   91    92   340.000  1.090
   91    97   268.000  1.529
   91   100   320.000  1.410
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105    75   268.000  1.529
  105   106   268.000  1.529
   75    76   340.000  1.090
   75    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    89   268.000  1.529
   89    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  100   101   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   41    42   570.000  1.307
   41    46   268.000  1.529
   41    50   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    58.35000  112.70000
   33    41    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    54    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    54    55    37.50000  110.70000
   43    54    56    58.35000  112.70000
   43    54    58    58.35000  112.70000
   45    43    44    33.00000  107.80000
   54    43    44    37.50000  110.70000
   54    43    45    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    62    58.35000  112.70000
   54    56    89    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   56    54    55    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    65    58.35000  112.70000
   56    89    68    58.35000  112.70000
   56    89    83    58.35000  112.70000
   56    89    93    58.35000  112.70000
   62    56    57    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    58.35000  112.70000
   65    68    89    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    58.35000  112.70000
   68    70    75    58.35000  112.70000
   68    89    83    58.35000  112.70000
   68    89    93    58.35000  112.70000
   70    68    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    77    70.00000  112.37300
   70    75   105    58.35000  112.70000
   70    75    76    37.50000  110.70000
   70    75    79    58.35000  112.70000
   72    70    71    37.50000  110.70000
   72    77    78    40.00000  115.04500
   72    77    82    60.00000  120.94000
   72    77    90    80.00000  116.47100
   74    72    73    33.00000  107.80000
   77    72    73    45.00000  109.38400
   77    72    74    45.00000  109.38400
   77    82    86    60.00000  120.94000
   77    82   105    60.00000  120.94000
   77    82    90    15.00000   60.43100
   77    90    82    15.00000   59.14900
   82    77    78    37.50000  117.20000
   82    86    87    45.00000  109.38400
   82    86    88    45.00000  109.38400
   82    86    91    70.00000  112.37300
   82   105   102    70.00000  112.37300
   82   105    75    70.00000  112.37300
   82   105   106    70.00000  112.37300
   86    91    92    37.50000  110.70000
   86    91    97    58.35000  112.70000
   86    91   100    50.00000  109.50000
   88    86    87    33.00000  107.80000
   91    86    87    37.50000  110.70000
   91    86    88    37.50000  110.70000
   91    97    98    37.50000  110.70000
   91    97    99    37.50000  110.70000
   91    97   102    58.35000  112.70000
   91   100   101    55.00000  108.50000
   97    91    92    37.50000  110.70000
   97   102   103    37.50000  110.70000
   97   102   104    37.50000  110.70000
   97   102   105    58.35000  112.70000
   99    97    98    33.00000  107.80000
  102    97    98    37.50000  110.70000
  102    97    99    37.50000  110.70000
  102   105    75    58.35000  112.70000
  102   105   106    58.35000  112.70000
  104   102   103    33.00000  107.80000
  105    82    86    58.35000  112.70000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  105    75    76    37.50000  110.70000
  105    75    79    58.35000  112.70000
  105   106   107    37.50000  110.70000
  105   106   108    37.50000  110.70000
  105   106   109    37.50000  110.70000
   75    70    71    37.50000  110.70000
   75    70    72    58.35000  112.70000
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    83    58.35000  112.70000
   79    75    76    37.50000  110.70000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    89    58.35000  112.70000
   81    79    80    33.00000  107.80000
   83    79    80    37.50000  110.70000
   83    79    81    37.50000  110.70000
   83    89    93    58.35000  112.70000
   85    83    84    33.00000  107.80000
   89    56    57    37.50000  110.70000
   89    56    62    58.35000  112.70000
   89    68    69    37.50000  110.70000
   89    68    70    58.35000  112.70000
   89    83    84    37.50000  110.70000
   89    83    85    37.50000  110.70000
   89    93    94    37.50000  110.70000
   89    93    95    37.50000  110.70000
   89    93    96    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
  106   105    75    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  100    91    92    35.00000  109.50000
  100    91    97    50.00000  109.50000
   90    77    78    50.00000  114.27700
   90    77    82    15.00000   60.43100
   90    82    86    80.00000  116.47100
   90    82   105    80.00000  116.47100
   58    54    55    37.50000  110.70000
   58    54    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   41    50    51    37.50000  110.70000
   41    50    52    37.50000  110.70000
   41    50    53    37.50000  110.70000
   46    41    42    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    41    42    50.00000  109.50000
   50    41    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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
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   92    91    97    99   0.15000  1.0 3.0
   92    91    97   102   0.15000  1.0 3.0
   92    91   100   101   0.19450  1.0 3.0
   97    91   100   101  -0.11600  1.0 1.0
   97    91   100   101  -0.09450 -1.0 2.0
   97    91   100   101   0.21250  1.0 3.0
   97   102  -105    82   0.47050  1.0 1.0
   97   102  -105    82   0.03900 -1.0 2.0
   97   102  -105    82   0.20100  1.0 3.0
   97   102   105    75   0.56750  1.0 1.0
   97   102   105    75  -0.07550 -1.0 2.0
   97   102   105    75   0.20000  1.0 3.0
   97   102   105   106   0.56750  1.0 1.0
   97   102   105   106  -0.07550 -1.0 2.0
   97   102   105   106   0.20000  1.0 3.0
   98    97   102   103   0.15000  1.0 3.0
   98    97   102   104   0.15000  1.0 3.0
   98    97   102   105   0.15000  1.0 3.0
   99    97   102   103   0.15000  1.0 3.0
   99    97   102   104   0.15000  1.0 3.0
   99    97   102   105   0.15000  1.0 3.0
  102   105    75    70   0.56750  1.0 1.0
  102   105    75    70  -0.07550 -1.0 2.0
  102   105    75    70   0.20000  1.0 3.0
  102   105    75    76   0.15000  1.0 3.0
  102   105    75    79   0.56750  1.0 1.0
  102   105    75    79  -0.07550 -1.0 2.0
  102   105    75    79   0.20000  1.0 3.0
  102   105   106   107   0.15000  1.0 3.0
  102   105   106   108   0.15000  1.0 3.0
  102   105   106   109   0.15000  1.0 3.0
  103   102   105    82   0.15000  1.0 3.0
  103   102   105    75   0.15000  1.0 3.0
  103   102   105   106   0.15000  1.0 3.0
  104   102   105    82   0.15000  1.0 3.0
  104   102   105    75   0.15000  1.0 3.0
  104   102   105   106   0.15000  1.0 3.0
  105    82    86    87   0.15000  1.0 3.0
  105    82    86    88   0.15000  1.0 3.0
  105    82   -86    91   0.56750  1.0 1.0
  105    82   -86    91  -0.07550 -1.0 2.0
  105    82   -86    91   0.20000  1.0 3.0
  105    82   -90    77   0.06250  1.0 1.0
  105    82   -90    77  -0.01100 -1.0 2.0
  105    82   -90    77   0.28050  1.0 3.0
  105    75    79    80   0.15000  1.0 3.0
  105    75    79    81   0.15000  1.0 3.0
  105    75    79    83   0.56750  1.0 1.0
  105    75    79    83  -0.07550 -1.0 2.0
  105    75    79    83   0.20000  1.0 3.0
   75    70    72    73   0.15000  1.0 3.0
   75    70    72    74   0.15000  1.0 3.0
   75    70   -72    77   0.47050  1.0 1.0
   75    70   -72    77   0.03900 -1.0 2.0
   75    70   -72    77   0.20100  1.0 3.0
   75   105   106   107   0.15000  1.0 3.0
   75   105   106   108   0.15000  1.0 3.0
   75   105   106   109   0.15000  1.0 3.0
   75    79    83    84   0.15000  1.0 3.0
   75    79    83    85   0.15000  1.0 3.0
   75    79    83    89   0.56750  1.0 1.0
   75    79    83    89  -0.07550 -1.0 2.0
   75    79    83    89   0.20000  1.0 3.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    81   0.15000  1.0 3.0
   76    75    79    83   0.15000  1.0 3.0
   79    83    89    56   0.56750  1.0 1.0
   79    83    89    56  -0.07550 -1.0 2.0
   79    83    89    56   0.20000  1.0 3.0
   79    83   -89    68   0.56750  1.0 1.0
   79    83   -89    68  -0.07550 -1.0 2.0
   79    83   -89    68   0.20000  1.0 3.0
   79    83    89    93   0.56750  1.0 1.0
   79    83    89    93  -0.07550 -1.0 2.0
   79    83    89    93   0.20000  1.0 3.0
   80    79    83    84   0.15000  1.0 3.0
   80    79    83    85   0.15000  1.0 3.0
   80    79    83    89   0.15000  1.0 3.0
   81    79    83    84   0.15000  1.0 3.0
   81    79    83    85   0.15000  1.0 3.0
   81    79    83    89   0.15000  1.0 3.0
   83    89    93    94   0.15000  1.0 3.0
   83    89    93    95   0.15000  1.0 3.0
   83    89    93    96   0.15000  1.0 3.0
   84    83    89    56   0.15000  1.0 3.0
   84    83    89    68   0.15000  1.0 3.0
   84    83    89    93   0.15000  1.0 3.0
   85    83    89    56   0.15000  1.0 3.0
   85    83    89    68   0.15000  1.0 3.0
   85    83    89    93   0.15000  1.0 3.0
   89    56    62    63   0.15000  1.0 3.0
   89    56    62    64   0.15000  1.0 3.0
   89    56   -62    65   0.56750  1.0 1.0
   89    56   -62    65  -0.07550 -1.0 2.0
   89    56   -62    65   0.20000  1.0 3.0
   89    68    70    71   0.15000  1.0 3.0
   89    68    70    72   0.56750  1.0 1.0
   89    68    70    72  -0.07550 -1.0 2.0
   89    68    70    72   0.20000  1.0 3.0
   89    68   -70    75   0.56750  1.0 1.0
   89    68   -70    75  -0.07550 -1.0 2.0
   89    68   -70    75   0.20000  1.0 3.0
  106   105    75    70   0.56750  1.0 1.0
  106   105    75    70  -0.07550 -1.0 2.0
  106   105    75    70   0.20000  1.0 3.0
  106   105    75    76   0.15000  1.0 3.0
  106   105    75    79   0.56750  1.0 1.0
  106   105    75    79  -0.07550 -1.0 2.0
  106   105    75    79   0.20000  1.0 3.0
  100    91    97    98   0.23400  1.0 3.0
  100    91    97    99   0.23400  1.0 3.0
  100    91    97   102   0.86500  1.0 1.0
  100    91    97   102  -0.17500 -1.0 2.0
  100    91    97   102   0.20800  1.0 3.0
   90    77   -82    86   0.02550  1.0 1.0
   90    77   -82    86  -0.02600 -1.0 2.0
   90    77   -82    86   1.20400  1.0 3.0
   90    77   -82   105   0.02550  1.0 1.0
   90    77   -82   105  -0.02600 -1.0 2.0
   90    77   -82   105   1.20400  1.0 3.0
   90    82    86    87   0.23400  1.0 3.0
   90    82    86    88   0.23400  1.0 3.0
   90    82    86    91   0.02550  1.0 1.0
   90    82    86    91  -0.02600 -1.0 2.0
   90    82    86    91   1.20400  1.0 3.0
   90    82   105   102   0.02550  1.0 1.0
   90    82   105   102  -0.02600 -1.0 2.0
   90    82   105   102   1.20400  1.0 3.0
   90    82   105    75   0.02550  1.0 1.0
   90    82   105    75  -0.02600 -1.0 2.0
   90    82   105    75   1.20400  1.0 3.0
   90    82   105   106   0.02550  1.0 1.0
   90    82   105   106  -0.02600 -1.0 2.0
   90    82   105   106   1.20400  1.0 3.0
   58    54    56    57   0.15000  1.0 3.0
   58    54    56    62   0.56750  1.0 1.0
   58    54    56    62  -0.07550 -1.0 2.0
   58    54    56    62   0.20000  1.0 3.0
   58    54    56    89   0.56750  1.0 1.0
   58    54    56    89  -0.07550 -1.0 2.0
   58    54    56    89   0.20000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    49   0.23400  1.0 3.0
   42    41    50    51   0.23400  1.0 3.0
   42    41    50    52   0.23400  1.0 3.0
   42    41    50    53   0.23400  1.0 3.0
   46    41    50    51   0.15000  1.0 3.0
   46    41    50    52   0.15000  1.0 3.0
   46    41    50    53   0.15000  1.0 3.0
   50    41    46    47   0.15000  1.0 3.0
   50    41    46    48   0.15000  1.0 3.0
   50    41    46    49   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
END
