* LIGAND DATABASE FILE (OPLS2005)
*
001     107   110    215    351     653
    1     0 S   NP   _N1_     1    28.73317    95.93812   -21.03877
    2     1 S   H    _HN1     2     1.02837    40.42987   162.43950
    3     1 S   H    _H1_     3     1.02774    82.66858   -68.57610
    4     1 S   H    _H2_     4     1.02962    86.20885    40.51812
    5     1 S   CT   _CA1     5     1.50150   151.07013   167.46585
    6     5 S   HC   _HA1     6     1.09553   105.26459    55.74977
    7     5 S   CO3  _C1_     7     1.53895   112.36908   -64.68027
    8     7 S   O2Z  _O11     8     1.26383   114.91804   -39.19649
    9     7 S   O2Z  _O12     9     1.26226   115.04189   139.96898
   10     5 S   CT   _CB1    10     1.53101   107.45094   174.05664
   11    10 S   HC   HB11    11     1.09819   109.72156   -46.31261
   12    10 S   HC   HB12    12     1.09829   110.24846    70.37156
   13    10 S   CT   _CG1    13     1.53004   112.61130  -167.26041
   14    13 S   HC   HG11    14     1.09518   110.57257   -57.54527
   15    13 S   HC   HG12    15     1.09634   110.05142    61.48324
   16    13 S   C    _CD1    16     1.51834   112.13296  -178.34105
   17    16 S   O    _OE1    17     1.22719   123.19596   -11.02019
   18    16 S   N    _N2_    18     1.38540   111.64021   169.60208
   19    18 S   H    _HN2    19     1.01583   118.98894     1.17069
   20    18 S   CT1  _CA2    20     1.46240   123.59498  -178.72267
   21    20 S   HC   _HA2    21     1.09733   109.41934   -12.35069
   22    20 S   C    _C2_    22     1.53471   108.08852  -127.89744
   23    22 S   O    _O2_    23     1.22993   122.35655  -145.59794
   24    20 S   CT   _CB2    32     1.53564   111.28722   109.87489
   25    24 S   HC   HB21    33     1.09354   109.41084    54.32159
   26    24 S   HC   HB22    34     1.09506   109.96034   172.73969
   27    22 S   N    _N3_    24     1.38554   113.31822    41.77686
   28    27 S   H    _HN3    25     1.01522   118.87738    -0.62870
   29    24 S   S    _SG2    35     1.83399   111.24765   -68.56001
   30    27 S   CT   _CA3    26     1.45456   123.52577   175.20625
   31    30 S   HC   HA31    27     1.09518   109.33063    22.32909
   32    30 S   HC   HA32    28     1.09499   107.08495   139.34390
   33    29 S   CT   _C20    36     1.87218   103.62098   156.23077
   34    30 S   CO3  _C3_    29     1.52924   113.10611  -101.22354
   35    34 S   O2Z  _O31    30     1.26406   115.41054   -44.02758
   36    34 S   O2Z  _O32    31     1.26358   114.98425   136.93987
   37    33 S   CM   _C21    37     1.51597   107.01331    37.03852
   38    37 S   HC   _H31    38     1.08981   116.76570   -97.74647
   39    33 S   CT   _C19    55     1.57669   112.68319   152.69569
   40    39 S   HC   _H5_    56     1.10229   104.65961  -176.32246
   41    37 S   CMA  _C22    39     1.34932   125.73402    81.55768
   42    41 S   OM   _O34    40     1.26158   127.61081  -178.82098
   43    39 S   CT   _C18    57     1.55196   112.79001    72.01127
   44    43 S   HC   _H29    58     1.09452   110.42337   -68.29045
   45    43 S   HC   _H30    59     1.09565   110.12417   175.20315
   46    41 S   CT   _C23    41     1.55521   118.05411    -4.08265
   47    46 S   HC   _H6_    42     1.10270   103.77456   -82.44448
   48    43 S   CT   _C17    60     1.54110   113.27313    55.11824
   49    48 S   HC   _H27    61     1.09703   108.89425    66.87144
   50    48 S   HC   _H28    62     1.09412   107.94525  -178.49260
   51    46 S   CT   _C28    43     1.55656   115.83217   163.84905
   52    51 S   HC   _H36    44     1.09597   110.51345   170.96873
   53    51 S   HC   _H37    45     1.09560   111.95262    52.48345
   54    48 S   CT   _C16    63     1.54024   112.05392   -55.79564
   55    51 S   CO4  _C27    46     1.51292   110.76173   -69.73215
   56    55 S   O    _O33    47     1.23027   121.88079   148.46623
   57    54 S   CT   _C12    64     1.57339   115.54324   164.75527
   58    57 S   HC   _H4_    65     1.09839   107.40484   -42.50182
   59    54 S   CT   _C30   100     1.54907   108.53415   -72.78831
   60    59 S   HC   _H41   101     1.09211   112.49739   175.94440
   61    59 S   HC   _H42   102     1.08963   113.48602    53.03516
   62    59 S   HC   _H43   103     1.09474   111.10583   -64.23894
   63    55 S   CT   _C26    48     1.50835   116.50480   -32.78351
   64    63 S   HC   _H34    49     1.09357   109.35242    94.08330
   65    63 S   HC   _H35    50     1.09505   108.48866  -147.54402
   66    57 S   CT   _C13    66     1.55719   102.53904  -155.83747
   67    66 S   HC   _H23    67     1.09614   111.93437  -100.96947
   68    66 S   HC   _H24    68     1.09586   110.18779   139.45857
   69    57 S   CT   _C5_    75     1.55455   120.34767    79.08200
   70    69 S   HC   _H3_    76     1.09642   108.50272    58.17925
   71    63 S   CT   _C25    51     1.52359   108.63976   -28.44379
   72    71 S   HC   _H32    52     1.09522   108.98106  -172.11146
   73    71 S   HC   _H33    53     1.09929   107.90289   -58.27116
   74    66 S   CT   _C14    69     1.54183   107.63624    18.81221
   75    74 S   HC   _H25    70     1.09495   110.03602   133.14935
   76    74 S   HC   _H26    71     1.09220   108.59292  -108.86021
   77    69 S   CT   _C4_    77     1.53212   112.67401   -60.42821
   78    77 S   HC   _H7_    78     1.09459   111.68225   -48.15663
   79    77 S   HC   _H8_    79     1.09235   111.26563    72.92623
   80    77 S   HC   _H9_    80     1.09557   111.07073  -168.82735
   81    69 S   CT   _C6_    81     1.55241   113.09112   174.44191
   82    81 S   HC   _H10    82     1.09834   108.28999  -176.25906
   83    81 S   HC   _H11    83     1.09658   109.53472   -61.82187
   84    46 S   CT   _C24    54     1.59304   115.12486    34.14169
   85    33 S   CT   _C15    72     1.57879   112.81696   -86.74345
   86    81 S   CT   _C7_    84     1.53375   115.32111    61.61667
   87    86 S   HC   _H12    85     1.09531   110.11734    57.56170
   88    86 S   HC   _H13    86     1.09369   109.57579   -60.59783
   89    85 S   OH   _O35    73     1.46239   105.91330   173.99312
   90    89 S   HO   _H44    74     0.97174   108.57103   -70.21882
   91    86 S   CT   _C8_    87     1.53336   110.95196   178.52355
   92    91 S   HC   _H14    88     1.09757   109.35139    61.88879
   93    91 S   HC   _H15    89     1.09770   108.66663   -54.13946
   94    84 S   CT   _C29   104     1.55258   108.48798  -140.76430
   95    94 S   HC   _H38   105     1.09125   112.54945    66.42624
   96    94 S   HC   _H39   106     1.09605   111.12962   -53.14784
   97    94 S   HC   _H40   107     1.09526   111.78904  -172.02280
   98    91 S   CT   _C9_    90     1.54007   113.47666  -175.21288
   99    98 S   HC   _H16    91     1.09738   108.70688    56.31682
  100    98 S   CT   _C10    92     1.52942   112.49248   -63.53119
  101   100 S   HC   _H17    93     1.09522   111.25781   -55.82307
  102   100 S   HC   _H18    94     1.09546   110.75232  -175.88944
  103   100 S   HC   _H19    95     1.09409   111.38723    64.99964
  104    98 S   CT   _C11    96     1.53075   109.78932   174.01794
  105   104 S   HC   _H20    97     1.09539   111.28446    61.95863
  106   104 S   HC   _H21    98     1.09521   110.83625  -177.78725
  107   104 S   HC   _H22    99     1.09516   110.83596   -58.31885
  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
  24   2   1   1  14   5  24   9  11   4  13   6   5  15   7  15
   5   4  10   5   4  19   8   4  23  10   8   3   2   1   7   5
   4  11   6   5  14   8   7   3   2   5   3   2   7   3   2   1
   9   5   4   5   2   9   5   4   1   1  12   5   4   3   2   1
   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    39    85    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    84    39    40    43    54    74    85    89  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    71    84    39    40    43    44    45    48    54    57    66    74    75    76    85    89    90    59    94  
   35    36  
   36  
    0  
   38    41    42    46    47    51    84    39    40    43    54    74    85    89  
   41    42    46    39    85  
   40    43    44    45    48    49    50    54    74    85    89    94    95    96    97    41    46    47    51    63    71    72    73    84  
   43    44    45    48    85    94    46    71    84  
   42    46    47    51    52    53    55    71    84    85    94  
   46    47    51    84  
   44    45    48    49    50    54    57    85    59    94    46    71    84  
   45    48    49    50    54    84  
   48    49    50    54    84  
   47    51    52    53    55    56    63    71    72    73    84    94    95    96    97  
   51    52    53    55    71    84    94  
   49    50    54    57    58    66    74    85    89    69    59    60    61    62    84  
   50    54    57    85    59  
   54    57    85    59  
   52    53    55    56    63    64    65    71    84    94  
   53    55    56    63    84  
   55    56    63    84  
   57    58    66    67    68    74    75    76    85    89    90    69    70    77    81    59    60    61    62  
   56    63    64    65    71    72    73    84  
   63    64    65    71  
   58    66    67    68    74    75    76    85    89    69    70    77    78    79    80    81    82    83    86    59    60    61    62  
   66    67    68    74    85    69    70    77    81    59  
   60    61    62    66    69    74    85    89  
   61    62    85  
   62    85  
   85  
   64    65    71    72    73    84    94  
   65    71    72    73    84  
   71    72    73    84  
   67    68    74    75    76    85    89    69    70    77    81  
   68    74    75    76    85    69  
   74    75    76    85    69  
   70    77    78    79    80    81    82    83    86    87    88    91    74    85  
   77    78    79    80    81    82    83    86  
   72    73    84    94    95    96    97  
   73    84    94  
   84    94  
   75    76    85    89    90  
   76    85    89  
   85    89  
   78    79    80    81    82    83    86  
   79    80    81  
   80    81  
   81  
   82    83    86    87    88    91    92    93    98  
   83    86    87    88    91  
   86    87    88    91  
   85    94    95    96    97  
   89    90  
   87    88    91    92    93    98    99   100   104  
   88    91    92    93    98  
   91    92    93    98  
   90  
    0  
   92    93    98    99   100   101   102   103   104   105   106   107  
   93    98    99   100   104  
   98    99   100   104  
   95    96    97  
   96    97  
   97  
    0  
   99   100   101   102   103   104   105   106   107  
  100   101   102   103   104   105   106   107  
  101   102   103   104   105   106   107  
  102   103   104  
  103   104  
  104  
  105   106   107  
  106   107  
  107  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
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    39   268.000  1.529
   33    85   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    84   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   317.000  1.522
   55    56   570.000  1.229
   55    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    84   268.000  1.529
   84    39   268.000  1.529
   84    94   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    57   268.000  1.529
   54    85   268.000  1.529
   54    59   268.000  1.529
   57    58   340.000  1.090
   57    66   268.000  1.529
   57    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    85   268.000  1.529
   85    89   320.000  1.410
   89    90   553.000  0.945
   69    70   340.000  1.090
   69    77   268.000  1.529
   69    81   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    86   268.000  1.529
   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    93   340.000  1.090
   91    98   268.000  1.529
   98    99   340.000  1.090
   98   100   268.000  1.529
   98   104   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   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    39    75.00000  111.63000
   29    33    85    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    39    84    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    85    54    58.35000  112.70000
   33    85    74    58.35000  112.70000
   33    85    89    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    46    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    46    47    45.00000  110.52000
   41    46    51    70.00000  112.02700
   41    46    84    70.00000  112.02700
   46    41    42    85.00000  112.85300
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    55    63.00000  111.10000
   46    84    71    58.35000  112.70000
   46    84    39    58.35000  112.70000
   46    84    94    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    55    56    80.00000  120.40000
   51    55    63    70.00000  116.00000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    71    63.00000  111.10000
   63    55    56    80.00000  120.40000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    84    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    84    39    58.35000  112.70000
   71    84    94    58.35000  112.70000
   73    71    72    33.00000  107.80000
   84    46    47    37.50000  110.70000
   84    46    51    58.35000  112.70000
   84    71    72    37.50000  110.70000
   84    71    73    37.50000  110.70000
   84    39    40    37.50000  110.70000
   84    39    43    58.35000  112.70000
   84    94    95    37.50000  110.70000
   84    94    96    37.50000  110.70000
   84    94    97    37.50000  110.70000
   39    33    37    70.00000  112.02700
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    54    57    58.35000  112.70000
   48    54    85    58.35000  112.70000
   48    54    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    66    58.35000  112.70000
   54    57    69    58.35000  112.70000
   54    85    74    58.35000  112.70000
   54    85    89    50.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    74    58.35000  112.70000
   57    69    70    37.50000  110.70000
   57    69    77    58.35000  112.70000
   57    69    81    58.35000  112.70000
   66    57    58    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    85    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    85    89    50.00000  109.50000
   76    74    75    33.00000  107.80000
   85    33    37    70.00000  112.02700
   85    33    39    58.35000  112.70000
   85    54    57    58.35000  112.70000
   85    74    75    37.50000  110.70000
   85    74    76    37.50000  110.70000
   85    89    90    55.00000  108.50000
   69    57    58    37.50000  110.70000
   69    57    66    58.35000  112.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   69    81    82    37.50000  110.70000
   69    81    83    37.50000  110.70000
   69    81    86    58.35000  112.70000
   77    69    70    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    69    70    37.50000  110.70000
   81    69    77    58.35000  112.70000
   81    86    87    37.50000  110.70000
   81    86    88    37.50000  110.70000
   81    86    91    58.35000  112.70000
   83    81    82    33.00000  107.80000
   86    81    82    37.50000  110.70000
   86    81    83    37.50000  110.70000
   86    91    92    37.50000  110.70000
   86    91    93    37.50000  110.70000
   86    91    98    58.35000  112.70000
   88    86    87    33.00000  107.80000
   91    86    87    37.50000  110.70000
   91    86    88    37.50000  110.70000
   91    98    99    37.50000  110.70000
   91    98   100    58.35000  112.70000
   91    98   104    58.35000  112.70000
   93    91    92    33.00000  107.80000
   98    91    92    37.50000  110.70000
   98    91    93    37.50000  110.70000
   98   100   101    37.50000  110.70000
   98   100   102    37.50000  110.70000
   98   100   103    37.50000  110.70000
   98   104   105    37.50000  110.70000
   98   104   106    37.50000  110.70000
   98   104   107    37.50000  110.70000
  100    98    99    37.50000  110.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    98    99    37.50000  110.70000
  104    98   100    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   59    54    57    58.35000  112.70000
   59    54    85    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   94    84    39    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
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   85    33    37    41   0.15250 -1.0 2.0
   85    33    37    41  -0.50650  1.0 3.0
   85    33    39    84   0.56750  1.0 1.0
   85    33    39    84  -0.07550 -1.0 2.0
   85    33    39    84   0.20000  1.0 3.0
   85    33    39    40   0.15000  1.0 3.0
   85    33   -39    43   0.56750  1.0 1.0
   85    33   -39    43  -0.07550 -1.0 2.0
   85    33   -39    43   0.20000  1.0 3.0
   85    54    57    58   0.15000  1.0 3.0
   85    54   -57    66   0.56750  1.0 1.0
   85    54   -57    66  -0.07550 -1.0 2.0
   85    54   -57    66   0.20000  1.0 3.0
   85    54    57    69   0.56750  1.0 1.0
   85    54    57    69  -0.07550 -1.0 2.0
   85    54    57    69   0.20000  1.0 3.0
   85    54    59    60   0.15000  1.0 3.0
   85    54    59    61   0.15000  1.0 3.0
   85    54    59    62   0.15000  1.0 3.0
   69    57    66    67   0.15000  1.0 3.0
   69    57    66    68   0.15000  1.0 3.0
   69    57    66    74   0.56750  1.0 1.0
   69    57    66    74  -0.07550 -1.0 2.0
   69    57    66    74   0.20000  1.0 3.0
   69    81    86    87   0.15000  1.0 3.0
   69    81    86    88   0.15000  1.0 3.0
   69    81    86    91   0.56750  1.0 1.0
   69    81    86    91  -0.07550 -1.0 2.0
   69    81    86    91   0.20000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    80   0.15000  1.0 3.0
   70    69    81    82   0.15000  1.0 3.0
   70    69    81    83   0.15000  1.0 3.0
   70    69    81    86   0.15000  1.0 3.0
   77    69    81    82   0.15000  1.0 3.0
   77    69    81    83   0.15000  1.0 3.0
   77    69    81    86   0.56750  1.0 1.0
   77    69    81    86  -0.07550 -1.0 2.0
   77    69    81    86   0.20000  1.0 3.0
   81    69    77    78   0.15000  1.0 3.0
   81    69    77    79   0.15000  1.0 3.0
   81    69    77    80   0.15000  1.0 3.0
   81    86    91    92   0.15000  1.0 3.0
   81    86    91    93   0.15000  1.0 3.0
   81    86    91    98   0.56750  1.0 1.0
   81    86    91    98  -0.07550 -1.0 2.0
   81    86    91    98   0.20000  1.0 3.0
   82    81    86    87   0.15000  1.0 3.0
   82    81    86    88   0.15000  1.0 3.0
   82    81    86    91   0.15000  1.0 3.0
   83    81    86    87   0.15000  1.0 3.0
   83    81    86    88   0.15000  1.0 3.0
   83    81    86    91   0.15000  1.0 3.0
   86    91    98    99   0.15000  1.0 3.0
   86    91    98   100   0.56750  1.0 1.0
   86    91    98   100  -0.07550 -1.0 2.0
   86    91    98   100   0.20000  1.0 3.0
   86    91    98   104   0.56750  1.0 1.0
   86    91    98   104  -0.07550 -1.0 2.0
   86    91    98   104   0.20000  1.0 3.0
   87    86    91    92   0.15000  1.0 3.0
   87    86    91    93   0.15000  1.0 3.0
   87    86    91    98   0.15000  1.0 3.0
   88    86    91    92   0.15000  1.0 3.0
   88    86    91    93   0.15000  1.0 3.0
   88    86    91    98   0.15000  1.0 3.0
   91    98   100   101   0.15000  1.0 3.0
   91    98   100   102   0.15000  1.0 3.0
   91    98   100   103   0.15000  1.0 3.0
   91    98   104   105   0.15000  1.0 3.0
   91    98   104   106   0.15000  1.0 3.0
   91    98   104   107   0.15000  1.0 3.0
   92    91    98    99   0.15000  1.0 3.0
   92    91    98   100   0.15000  1.0 3.0
   92    91    98   104   0.15000  1.0 3.0
   93    91    98    99   0.15000  1.0 3.0
   93    91    98   100   0.15000  1.0 3.0
   93    91    98   104   0.15000  1.0 3.0
   99    98   100   101   0.15000  1.0 3.0
   99    98   100   102   0.15000  1.0 3.0
   99    98   100   103   0.15000  1.0 3.0
   99    98   104   105   0.15000  1.0 3.0
   99    98   104   106   0.15000  1.0 3.0
   99    98   104   107   0.15000  1.0 3.0
  100    98   104   105   0.15000  1.0 3.0
  100    98   104   106   0.15000  1.0 3.0
  100    98   104   107   0.15000  1.0 3.0
  104    98   100   101   0.15000  1.0 3.0
  104    98   100   102   0.15000  1.0 3.0
  104    98   100   103   0.15000  1.0 3.0
   59    54    57    58   0.15000  1.0 3.0
   59    54    57    66   0.56750  1.0 1.0
   59    54    57    66  -0.07550 -1.0 2.0
   59    54    57    66   0.20000  1.0 3.0
   59    54    57    69   0.56750  1.0 1.0
   59    54    57    69  -0.07550 -1.0 2.0
   59    54    57    69   0.20000  1.0 3.0
   59    54    85    33   0.56750  1.0 1.0
   59    54    85    33  -0.07550 -1.0 2.0
   59    54    85    33   0.20000  1.0 3.0
   59    54    85    74   0.56750  1.0 1.0
   59    54    85    74  -0.07550 -1.0 2.0
   59    54    85    74   0.20000  1.0 3.0
   59    54    85    89   0.86500  1.0 1.0
   59    54    85    89  -0.17500 -1.0 2.0
   59    54    85    89   0.20800  1.0 3.0
   94    84    39    33   0.56750  1.0 1.0
   94    84    39    33  -0.07550 -1.0 2.0
   94    84    39    33   0.20000  1.0 3.0
   94    84    39    40   0.15000  1.0 3.0
   94    84    39    43   0.56750  1.0 1.0
   94    84    39    43  -0.07550 -1.0 2.0
   94    84    39    43   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
   33    38    37    41   1.10000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
   51    63    55    56  10.50000 -1.0 2.0
END
