* LIGAND DATABASE FILE (OPLS2005)
*
001     109   111    205    299     593
    1     0 S   NP   _N1_     1    29.22272    98.25020   -18.13183
    2     1 S   H    _HN1     2     1.02778    70.95344   -88.94241
    3     1 S   H    _H1_     3     1.02962    77.08764    25.92126
    4     1 S   H    _H2_     4     1.02836    58.99694   145.13263
    5     1 S   CT   _CA1     5     1.50124   169.34021   161.63794
    6     5 S   HC   _HA1     6     1.09568   105.24940    44.07887
    7     5 S   CO3  _C1_     7     1.53824   112.40016   -76.19013
    8     7 S   O2Z  _O11     8     1.26366   115.01700   -42.24853
    9     7 S   O2Z  _O12     9     1.26232   114.96238   137.00678
   10     5 S   CT   _CB1    10     1.53102   107.42575   162.08749
   11    10 S   HC   HB11    11     1.09820   109.45658   -49.71565
   12    10 S   HC   HB12    12     1.09830   110.33094    66.87123
   13    10 S   CT   _CG1    13     1.53012   112.68650  -170.82056
   14    13 S   HC   HG11    14     1.09600   110.33203   -61.58857
   15    13 S   HC   HG12    15     1.09631   110.11970    57.66356
   16    13 S   C    _CD1    16     1.51812   112.26523   178.07766
   17    16 S   O    _OE1    17     1.22720   123.24471    -6.74794
   18    16 S   N    _N2_    18     1.38618   111.62763   173.26082
   19    18 S   H    _HN2    19     1.01591   119.00357     2.11748
   20    18 S   CT1  _CA2    20     1.46295   123.43320  -176.35723
   21    20 S   HC   _HA2    21     1.09730   109.36098   -15.21976
   22    20 S   C    _C2_    22     1.53353   108.51670  -131.09694
   23    22 S   O    _O2_    23     1.23013   122.27676  -146.07363
   24    20 S   CT   _CB2    32     1.53405   111.05131   106.79419
   25    24 S   HC   HB21    33     1.09603   109.58685    54.55047
   26    24 S   HC   HB22    34     1.09483   110.86287   173.46037
   27    22 S   N    _N3_    24     1.38515   113.31734    41.38244
   28    27 S   H    _HN3    25     1.01529   118.92069    -0.56058
   29    24 S   S    _SG2    35     1.82691   111.59721   -66.87405
   30    27 S   CT   _CA3    26     1.45439   123.35341   174.91227
   31    30 S   HC   HA31    27     1.09529   109.14122    26.32554
   32    30 S   HC   HA32    28     1.09492   107.15069   143.33145
   33    29 S   CT   _C11    36     1.84216    99.27988   153.60362
   34    33 S   HC   _H8_    37     1.09547   105.63744   -58.49268
   35    30 S   CO3  _C3_    29     1.52935   113.16838   -97.06772
   36    35 S   O2Z  _O31    30     1.26398   115.43600   -43.59564
   37    35 S   O2Z  _O32    31     1.26360   114.96342   137.34073
   38    33 S   CT   _C12    38     1.54276   112.27711  -176.69039
   39    38 S   HC   _H9_    39     1.09958   108.03592   172.24610
   40    33 S   OS   _O33    53     1.42924   109.90638    55.70037
   41    38 S   CT   _C8_    40     1.53589   110.24610   -70.36048
   42    41 S   HC   _H5_    41     1.09944   110.04083    80.29125
   43    38 S   CO4  _C13   103     1.52520   112.35830    55.91933
   44    43 S   O    _O34   104     1.22388   124.93060  -123.65774
   45    41 S   CT   _C7_    42     1.53021   113.92800  -159.12595
   46    45 S   HC   _H18    43     1.09469   112.61875   -82.15927
   47    45 S   HC   _H19    44     1.09718   112.10272    38.66704
   48    43 S   OS   _O35   105     1.36600   109.71608    57.42380
   49    45 S   CT   _C6_    45     1.52083   102.86531   157.50001
   50    49 S   HC   _H4_    46     1.09672   110.97641    75.24453
   51    48 S   CT   _C14   106     1.43106   115.31407  -177.92491
   52    51 S   HC   _H20   107     1.09324   108.09761   176.69654
   53    51 S   HC   _H21   108     1.09431   110.29975    58.04617
   54    51 S   HC   _H22   109     1.09398   110.17509   -64.55281
   55    49 S   CT   _C5_    47     1.53005   102.76337   -44.06537
   56    55 S   HC   _H3_    48     1.09882   108.99319   -80.98236
   57    49 S   OH   _O46   101     1.41486   111.40893  -163.04087
   58    57 S   HO   _H37   102     0.97242   107.42346   -60.58598
   59    41 S   CT   _C9_    49     1.54475   112.42561   -39.78397
   60    59 S   HC   _H6_    50     1.09897   108.18127   106.65352
   61    55 S   CT   _C4_    97     1.52457   112.11642   160.10158
   62    61 S   HC   _H15    98     1.09522   111.36346   -59.78778
   63    61 S   HC   _H16    99     1.09426   111.03127   179.92338
   64    61 S   HC   _H17   100     1.09496   110.68078    60.21856
   65    59 S   CO   _C10    51     1.53504   111.70361   -12.57917
   66    65 S   HC   _H7_    52     1.09785   110.11473   -63.74247
   67    65 S   OS   _O36    54     1.42999   107.53569   177.24253
   68    67 S   CO   _C15    55     1.43074   113.06672   164.45184
   69    68 S   HC   _H10    56     1.09826   109.20424    43.74492
   70    68 S   CT   _C16    57     1.53335   107.53848   163.02296
   71    70 S   HC   _H11    58     1.09801   110.66791    52.33197
   72    70 S   CT   _C17    59     1.53356   111.01979   173.63474
   73    72 S   HC   _H12    60     1.09801   110.87006    72.75060
   74    70 S   OS   _O44    90     1.44818   108.44590   -68.46045
   75    72 S   CT   _C18    61     1.53485   111.24120   -49.18775
   76    75 S   HC   _H13    62     1.09835   109.61913   -70.12373
   77    72 S   OS   _O42    83     1.44912   108.29463  -167.26532
   78    74 S   CO4  _C27    91     1.36175   118.16414    97.75456
   79    78 S   O    _O45    92     1.22294   126.63676     1.48187
   80    75 S   CT   _C19    63     1.53292   110.20616    50.52064
   81    80 S   HC   _H14    64     1.09848   111.03519    63.50782
   82    75 S   OS   _O40    76     1.44545   108.71762   168.85180
   83    77 S   CO4  _C25    84     1.36166   118.18671   -97.26932
   84    83 S   O    _O43    85     1.22290   126.60807    -0.07913
   85    78 S   CT   _C28    93     1.49858   109.34386  -178.88373
   86    85 S   HC   _H34    94     1.09282   109.78170   -63.83715
   87    85 S   HC   _H35    95     1.09373   109.37670   176.91282
   88    85 S   HC   _H36    96     1.09288   109.86240    58.03207
   89    68 S   OS   _O37    65     1.42722   109.83105   -77.06283
   90    80 S   CT   _C20    66     1.53136   111.55554  -175.65923
   91    90 S   HC   _H23    67     1.09648   110.40134    67.88138
   92    90 S   HC   _H24    68     1.09530   111.03818   -54.41449
   93    82 S   CO4  _C23    77     1.36251   117.90827    96.24119
   94    93 S   O    _O41    78     1.22288   126.59119     0.65938
   95    83 S   CT   _C26    86     1.49833   109.38063   179.94405
   96    95 S   HC   _H31    87     1.09290   109.81328   -61.24332
   97    95 S   HC   _H32    88     1.09377   109.36935   179.69999
   98    95 S   HC   _H33    89     1.09297   109.81874    60.66439
   99    90 S   OS   _O38    69     1.44054   108.11739  -173.39752
  100    93 S   CT   _C24    79     1.49839   109.41070  -179.29224
  101   100 S   HC   _H28    80     1.09292   109.83475   -60.57020
  102   100 S   HC   _H29    81     1.09378   109.36577  -179.60238
  103   100 S   HC   _H30    82     1.09291   109.80696    61.34854
  104    99 S   CO4  _C21    70     1.36240   115.52033  -177.98783
  105   104 S   O    _O39    71     1.22328   126.23300    -0.63766
  106   104 S   CT   _C22    72     1.49836   109.58603   179.40062
  107   106 S   HC   _H25    73     1.09297   109.83011   -60.53023
  108   106 S   HC   _H26    74     1.09379   109.36114  -179.54976
  109   106 S   HC   _H27    75     1.09287   109.83261    61.37462
  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   8   5   4   3
  14   6   2   1   1  16   8   9  18   9   8   2  12   6   5   4
  12   6   3   2   1   1  12   8   3   1   9   4   4   2   1   1
   6   2   8  13   6  14   7  15   7   9  14   7   8   5   4   9
   6   8   5   4   3   2   1   1   4   6   3   2   5   4   3   2
   1   1   6   3   2   1   1   5   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    65    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    59    65    66    40    67    43    44    48  
   38    39    41    65    40    43  
   36    37  
   37  
    0  
   39    41    42    45    46    47    49    55    59    60    65    40    43    44    48    51  
   41    42    45    59    40    43    44    48  
   67    68    43    41    55    59    60    65    66  
   42    45    46    47    49    50    55    56    59    60    65    66    67    61    57    43    44    48  
   45    46    47    49    55    59    60    65    43  
   44    48    51    52    53    54    45    59  
   48    51  
   46    47    49    50    55    56    59    60    65    61    57    58  
   47    49    50    55    59    57  
   49    50    55    59    57  
   51    52    53    54  
   50    55    56    59    60    65    61    62    63    64    57    58  
   55    56    59    61    57    58  
   52    53    54  
   53    54  
   54  
    0  
   56    59    60    65    66    67    61    62    63    64    57    58  
   59    60    65    61    62    63    64    57  
   58    59    61  
    0  
   60    65    66    67    68    61    62    63    64  
   65    66    67    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70    89  
   67    68  
   68    69    70    71    72    80    89    74  
   69    70    71    72    73    75    80    81    89    90    77    74    78  
   70    71    72    80    89    74  
   71    72    73    75    76    80    89    82    77    83    74    78    79    85  
   72    73    75    89    77    74    78  
   73    75    76    80    81    89    90    82    93    77    83    84    95    74    78  
   75    76    80    82    77    83    74  
   78    79    85    86    87    88    75    77    89  
   76    80    81    89    90    91    92    99    82    93    94   100    77    83  
   80    81    89    90    82    93    77  
   83    84    95    96    97    98    80    82  
   79    85    86    87    88  
   85    86    87    88  
   81    89    90    91    92    99   104    82    93  
   89    90    91    92    99    82  
   93    94   100   101   102   103    89    90  
   84    95    96    97    98  
   95    96    97    98  
   86    87    88  
   87    88  
   88  
    0  
   90    91    92    99  
   91    92    99   104   105   106  
   92    99   104  
   99   104  
   94   100   101   102   103  
  100   101   102   103  
   96    97    98  
   97    98  
   98  
    0  
  104   105   106   107   108   109  
  101   102   103  
  102   103  
  103  
    0  
  105   106   107   108   109  
  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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  108   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  109   2.4200   0.0150   0.060000   1.3810   1.2100   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    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    59   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    57   320.000  1.410
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   268.000  1.529
   59    60   340.000  1.090
   59    65   250.000  1.527
   65    66   340.000  1.090
   65    40   320.000  1.380
   65    67   320.000  1.380
   67    68   320.000  1.380
   68    69   340.000  1.090
   68    70   250.000  1.527
   68    89   320.000  1.380
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   320.000  1.410
   72    73   340.000  1.090
   72    75   268.000  1.529
   72    77   320.000  1.410
   75    76   340.000  1.090
   75    80   268.000  1.529
   75    82   320.000  1.410
   80    81   340.000  1.090
   80    89   320.000  1.410
   80    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    99   320.000  1.410
   99   104   214.000  1.327
  104   105   570.000  1.229
  104   106   317.000  1.522
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   82    93   214.000  1.327
   93    94   570.000  1.229
   93   100   317.000  1.522
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   77    83   214.000  1.327
   83    84   570.000  1.229
   83    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   74    78   214.000  1.327
   78    79   570.000  1.229
   78    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   57    58   553.000  0.945
   43    44   570.000  1.229
   43    48   214.000  1.327
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    40    65    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    41    59    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    48    81.00000  111.40000
   41    38    39    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    49    58.35000  112.70000
   41    59    55    58.35000  112.70000
   41    59    60    37.50000  110.70000
   41    59    65    75.00000  109.43000
   45    41    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    55    58.35000  112.70000
   45    49    57    50.00000  109.50000
   47    45    46    33.00000  107.80000
   49    45    46    37.50000  110.70000
   49    45    47    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    55    61    58.35000  112.70000
   49    57    58    55.00000  108.50000
   55    49    50    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    65    75.00000  109.43000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    37.50000  110.70000
   59    41    42    37.50000  110.70000
   59    41    45    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    65    66    45.00000  112.01100
   59    65    40    90.00000  108.56700
   59    65    67    90.00000  108.56700
   65    59    60    45.00000  108.72000
   65    67    68   100.00000  109.58800
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    65    66    35.00000  109.50000
   67    65    66    35.00000  109.50000
   67    65    40    92.60000  111.55000
   67    68    69    35.00000  109.50000
   67    68    70    90.00000  108.56700
   67    68    89    92.60000  111.55000
   68    70    71    45.00000  108.72000
   68    70    72    75.00000  109.43000
   68    70    74    90.00000  109.38000
   68    89    80    60.00000  109.50000
   70    68    69    45.00000  112.01100
   70    72    73    37.50000  110.70000
   70    72    75    58.35000  112.70000
   70    72    77    50.00000  109.50000
   70    74    78    83.00000  116.90000
   72    70    71    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    80    58.35000  112.70000
   72    75    82    50.00000  109.50000
   72    77    83    83.00000  116.90000
   75    72    73    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    89    50.00000  109.50000
   75    80    90    58.35000  112.70000
   75    82    93    83.00000  116.90000
   80    75    76    37.50000  110.70000
   80    90    91    37.50000  110.70000
   80    90    92    37.50000  110.70000
   80    90    99    50.00000  109.50000
   89    68    69    35.00000  109.50000
   89    68    70    90.00000  108.56700
   89    80    81    35.00000  109.50000
   90    80    81    37.50000  110.70000
   90    80    89    50.00000  109.50000
   90    99   104    83.00000  116.90000
   92    90    91    33.00000  107.80000
   99    90    91    35.00000  109.50000
   99    90    92    35.00000  109.50000
   99   104   105    83.00000  123.40000
   99   104   106    81.00000  111.40000
  104   106   107    35.00000  109.50000
  104   106   108    35.00000  109.50000
  104   106   109    35.00000  109.50000
  106   104   105    80.00000  120.40000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   82    75    76    35.00000  109.50000
   82    75    80    50.00000  109.50000
   82    93    94    83.00000  123.40000
   82    93   100    81.00000  111.40000
   93   100   101    35.00000  109.50000
   93   100   102    35.00000  109.50000
   93   100   103    35.00000  109.50000
  100    93    94    80.00000  120.40000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   77    72    73    35.00000  109.50000
   77    72    75    50.00000  109.50000
   77    83    84    83.00000  123.40000
   77    83    95    81.00000  111.40000
   83    95    96    35.00000  109.50000
   83    95    97    35.00000  109.50000
   83    95    98    35.00000  109.50000
   95    83    84    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    72    50.00000  109.50000
   74    78    79    83.00000  123.40000
   74    78    85    81.00000  111.40000
   78    85    86    35.00000  109.50000
   78    85    87    35.00000  109.50000
   78    85    88    35.00000  109.50000
   85    78    79    80.00000  120.40000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   57    49    50    35.00000  109.50000
   57    49    55    50.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    41    63.00000  111.10000
   43    48    51    83.00000  116.90000
   48    43    44    83.00000  123.40000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
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   57    49    55    61   0.20800  1.0 3.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    45  -0.95700  1.0 1.0
   43    38    41    45  -0.18200 -1.0 2.0
   43    38    41    45   0.29450  1.0 3.0
   43    38    41    59  -0.95700  1.0 1.0
   43    38    41    59  -0.18200 -1.0 2.0
   43    38    41    59   0.29450  1.0 3.0
   43    48    51    52   0.08050  1.0 3.0
   43    48    51    53   0.08050  1.0 3.0
   43    48    51    54   0.08050  1.0 3.0
   44    43    48    51   3.00000 -1.0 2.0
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
   99   106   104   105  10.50000 -1.0 2.0
   82   100    93    94  10.50000 -1.0 2.0
   77    95    83    84  10.50000 -1.0 2.0
   74    85    78    79  10.50000 -1.0 2.0
   38    48    43    44  10.50000 -1.0 2.0
END
