* LIGAND DATABASE FILE (OPLS2005)
*
001     107   110    215    354     656
    1     0 S   NP   _N1_     1    28.72331    95.81709   -18.72154
    2     1 S   H    _HN1     2     1.02769    78.62381   -84.76502
    3     1 S   H    _H1_     3     1.02951    85.26132    25.14642
    4     1 S   H    _H2_     4     1.02839    44.94954   144.93478
    5     1 S   CT   _CA1     5     1.50166   155.26095   155.96756
    6     5 S   HC   _HA1     6     1.09564   105.16231    51.01983
    7     5 S   CO3  _C1_     7     1.53848   112.46366   -69.09043
    8     7 S   O2Z  _O11     8     1.26390   114.95078   -36.59208
    9     7 S   O2Z  _O12     9     1.26223   114.96566   142.63883
   10     5 S   CT   _CB1    10     1.53140   107.43974   169.14565
   11    10 S   HC   HB11    11     1.09820   109.47376   -47.28979
   12    10 S   HC   HB12    12     1.09822   110.33467    69.37213
   13    10 S   CT   _CG1    13     1.53009   112.70988  -168.28974
   14    13 S   HC   HG11    14     1.09519   110.45058   -63.33366
   15    13 S   HC   HG12    15     1.09657   109.95078    55.78032
   16    13 S   C    _CD1    16     1.51886   112.41422   176.05846
   17    16 S   O    _OE1    17     1.22723   123.29056    -2.53783
   18    16 S   N    _N2_    18     1.38637   111.61355   177.67737
   19    18 S   H    _HN2    19     1.01597   118.87669     1.04511
   20    18 S   CT1  _CA2    20     1.46348   123.58834   179.79252
   21    20 S   HC   _HA2    21     1.09734   109.35740    -9.76741
   22    20 S   C    _C2_    22     1.53388   108.31363  -125.27919
   23    22 S   O    _O2_    23     1.23027   122.41018  -147.80048
   24    20 S   CT   _CB2    32     1.53441   111.34877   112.42133
   25    24 S   HC   HB21    33     1.09564   109.53020    54.07709
   26    24 S   HC   HB22    34     1.09467   110.83176   173.15519
   27    22 S   N    _N3_    24     1.38378   113.44270    39.70855
   28    27 S   H    _HN3    25     1.01645   119.47515    -3.66442
   29    24 S   S    _SG2    35     1.82692   111.11405   -67.11614
   30    27 S   CT   _CA3    26     1.45285   123.12991   176.95085
   31    30 S   HC   HA31    27     1.09553   107.53235   -63.61630
   32    30 S   HC   HA32    28     1.09559   107.93688    52.78654
   33    29 S   CT   _C20    36     1.84706    99.97778   158.38023
   34    33 S   HC   _H8_    37     1.09540   108.40427   -32.02189
   35    30 S   CO3  _C3_    29     1.52934   114.14169   174.76183
   36    35 S   O2Z  _O31    30     1.26366   116.05967    -0.86908
   37    35 S   O2Z  _O32    31     1.26430   114.41099   179.19012
   38    33 S   CT   _C21    38     1.53518   105.31329    85.38080
   39    38 S   HC   _H29    39     1.09823   110.18637    50.79276
   40    38 S   HC   _H30    40     1.09842   109.91361   -65.17641
   41    33 S   CT   _C19    96     1.55608   111.63958  -150.98242
   42    41 S   HC   _H7_    97     1.09549   107.79186   -47.11905
   43    38 S   CT   _C22    41     1.53161   114.10854   172.51148
   44    43 S   HC   _H9_    42     1.10020   106.74448  -172.59032
   45    43 S   CT   _C27    43     1.54217   110.61603    72.28050
   46    45 S   HC   _H35    44     1.09631   111.63795   -57.55473
   47    45 S   HC   _H36    45     1.09801   109.73715    58.25011
   48    45 S   CT   _C26    46     1.52622   112.17979   179.34329
   49    48 S   HC   _H10    47     1.09663   109.77843   -67.76033
   50    48 S   CT   _C25    48     1.52324   111.59191    53.72962
   51    50 S   HC   _H33    49     1.09718   109.29607  -175.52998
   52    50 S   HC   _H34    50     1.09646   110.44546    69.22025
   53    48 S   OH   _O36   106     1.42356   109.67126   174.14871
   54    53 S   HO   _H37   107     0.97243   107.54067    58.38734
   55    50 S   CT   _C24    51     1.52452   111.12751   -54.31893
   56    55 S   HC   _H31    52     1.09497   109.45524  -178.12737
   57    55 S   HC   _H32    53     1.09948   107.71847   -64.32859
   58    43 S   CT   _C23    54     1.55829   111.84556   -54.62493
   59    58 S   CT   _C18    55     1.57109   109.18856    55.71937
   60    59 S   HC   _H6_    56     1.09824   106.98359    61.43657
   61    58 S   CT   _C28   102     1.54963   109.88039   -66.09064
   62    61 S   HC   _H38   103     1.09293   112.89243    67.96428
   63    61 S   HC   _H39   104     1.09643   110.83874   -52.23054
   64    61 S   HC   _H40   105     1.09520   111.44299  -171.08048
   65    59 S   CT   _C17    57     1.54825   113.46063   176.93056
   66    65 S   HC   _H27    58     1.09466   110.44379    60.81672
   67    65 S   HC   _H28    59     1.09457   110.28334   -56.60502
   68    65 S   CT   _C16    60     1.53453   113.20586  -176.25791
   69    68 S   HC   _H25    61     1.09781   108.52618    67.40561
   70    68 S   HC   _H26    62     1.09308   107.95465  -177.82156
   71    68 S   CT   _C15    63     1.53680   112.42356   -54.38430
   72    71 S   CT   _C14    64     1.55775   107.15507    54.81078
   73    72 S   HC   _H5_    65     1.10338   107.78110    56.00049
   74    71 S   CT   _C29    98     1.54773   110.22718   -68.75013
   75    74 S   HC   _H41    99     1.09449   112.37404  -177.04766
   76    74 S   HC   _H42   100     1.09295   112.70599    62.06864
   77    74 S   HC   _H43   101     1.09439   111.13350   -57.22385
   78    72 S   CT   _C13    66     1.52151   102.88975   166.78309
   79    78 S   HC   _H23    67     1.09406   112.13219  -155.25316
   80    78 S   HC   _H24    68     1.09485   111.93286    82.54799
   81    78 S   CT   _C12    69     1.53000   104.66824   -35.77427
   82    81 S   HC   _H21    70     1.09531   109.21717   132.27682
   83    81 S   HC   _H22    71     1.09590   110.32491  -109.64977
   84    71 S   CT   _C11    72     1.56413   114.69766   165.06325
   85    84 S   HC   _H4_    73     1.10074   107.67462   -40.88687
   86    84 S   CT   _C5_    74     1.55881   119.91556    81.78289
   87    86 S   HC   _H3_    75     1.09746   108.57515    62.22535
   88    86 S   CT   _C4_    76     1.53242   112.32233   -57.13315
   89    88 S   HC   _H11    77     1.09499   111.20446   -52.39902
   90    88 S   HC   _H12    78     1.09323   112.02748  -173.07663
   91    88 S   HC   _H13    79     1.09151   111.41235    68.92909
   92    86 S   CT   _C6_    80     1.55333   110.46266  -179.88809
   93    92 S   HC   _H14    81     1.09781   109.60854    71.23971
   94    92 S   HC   _H15    82     1.09527   110.29362   -45.07860
   95    92 S   CT   _C7_    83     1.53135   113.58209  -165.52607
   96    95 S   HC   _H16    84     1.09653   109.68143    55.21334
   97    95 S   HC   _H17    85     1.09452   111.12929   -64.22774
   98    95 S   C    _C8_    86     1.51935   112.30509   175.82519
   99    98 S   O    _O33    87     1.22781   123.45114     9.67902
  100    98 S   N    _N4_    88     1.38456   111.82128  -171.61829
  101   100 S   H    _H18    89     1.01629   120.11091     1.03514
  102   100 S   CT   _C9_    90     1.45338   122.51724  -179.55020
  103   102 S   HC   _H19    91     1.09567   107.64497   -59.58446
  104   102 S   HC   _H20    92     1.09569   107.75380    56.70735
  105   102 S   CO3  _C10    93     1.52899   114.38995   178.64578
  106   105 S   O2Z  _O35    94     1.26340   116.12229     1.20464
  107   105 S   O2Z  _O34    95     1.26458   114.41014  -178.78727
  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
  17   8   2   1   1  15   6   5  20   8  19   8  13   6   5  10
   6  10   6   5   2   1  10   4   3  11  15   6   4   2   1   1
   9   5   4  14   5   4  18  14   6   8   3   2   1   8   5   4
   8   4   3  11   4  12   8   7   3   2   1   8   5   4   7   4
   3   7   3   7   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    59    72    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    58    59    60    65    71    72    73    78    41    42  
   38    39    40    43    59    72    41    42  
   36    37  
   37  
    0  
   39    40    43    44    45    46    47    48    55    58    59    72    41    42    61  
   40    43    44    45    58    41  
   43    44    45    58    41  
   42    74    61    43    55    58    59    60    65    66    67    68    71    72    73    78    79    80    81    84  
   58    59    60    65    71    72    73    78  
   44    45    46    47    48    49    50    55    56    57    58    59    60    65    61    62    63    64    53  
   45    46    47    48    55    58    59    61  
   46    47    48    49    50    51    52    55    58    59    61    53    54  
   47    48    49    50    58    53  
   48    49    50    58    53  
   49    50    51    52    55    56    57    58    53    54  
   50    51    52    55    53    54  
   51    52    55    56    57    58    59    61    53    54  
   52    55    56    57    58    53  
   55    56    57    58    53  
   54    55  
    0  
   56    57    58    59    60    65    61    62    63    64  
   57    58    59    61  
   58    59    61  
   59    60    65    66    67    68    72    61    62    63    64  
   60    65    66    67    68    69    70    71    72    73    78    61    62    63    64  
   65    66    67    68    72    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    84    74  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    78    81    84    85    86    74    75    76    77  
   70    71    72    84    74  
   71    72    84    74  
   72    73    78    79    80    81    82    83    84    85    86    87    88    92    74    75    76    77  
   73    78    79    80    81    82    83    84    85    86    74    75    76    77  
   78    79    80    81    84    74  
   75    76    77    78    81    84    85    86  
   76    77    84  
   77    84  
   84  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87    88    92  
   83    84    85    86  
   84    85    86  
   85    86    87    88    89    90    91    92    93    94    95  
   86    87    88    92  
   87    88    89    90    91    92    93    94    95    96    97    98  
   88    89    90    91    92    93    94    95  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95    96    97    98    99   100  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98    99   100   101   102  
   97    98    99   100  
   98    99   100  
   99   100   101   102   103   104   105  
  100   101   102  
  101   102   103   104   105   106   107  
  102   103   104   105  
  103   104   105   106   107  
  104   105   106   107  
  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   0.107500   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   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  100   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  101   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  102   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   268.000  1.529
   43    58   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   268.000  1.529
   58    61   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    41   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   340.000  1.090
   68    71   268.000  1.529
   71    72   268.000  1.529
   71    84   268.000  1.529
   71    74   268.000  1.529
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    41   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   86    87   340.000  1.090
   86    88   268.000  1.529
   86    92   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   317.000  1.522
   98    99   570.000  1.229
   98   100   490.000  1.335
  100   101   434.000  1.010
  100   102   337.000  1.449
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   317.000  1.522
  105   106   656.000  1.250
  105   107   656.000  1.250
   41    42   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   53    54   553.000  0.945
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    59    58.35000  112.70000
   33    41    72    58.35000  112.70000
   33    41    42    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    58.35000  112.70000
   38    43    58    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    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    48    58.35000  112.70000
   43    58    55    58.35000  112.70000
   43    58    59    58.35000  112.70000
   43    58    61    58.35000  112.70000
   45    43    44    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    58.35000  112.70000
   45    48    53    50.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    58.35000  112.70000
   48    53    54    55.00000  108.50000
   50    48    49    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    58    59    58.35000  112.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    43    44    37.50000  110.70000
   58    43    45    58.35000  112.70000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    59    60    37.50000  110.70000
   58    59    65    58.35000  112.70000
   58    59    41    58.35000  112.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    68    58.35000  112.70000
   59    41    72    58.35000  112.70000
   59    41    42    37.50000  110.70000
   65    59    60    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    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    71    72    58.35000  112.70000
   68    71    84    58.35000  112.70000
   68    71    74    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    72    73    37.50000  110.70000
   71    72    78    58.35000  112.70000
   71    72    41    58.35000  112.70000
   71    84    81    58.35000  112.70000
   71    84    85    37.50000  110.70000
   71    84    86    58.35000  112.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    81    58.35000  112.70000
   72    41    42    37.50000  110.70000
   78    72    73    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    71    72    58.35000  112.70000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    88    58.35000  112.70000
   84    86    92    58.35000  112.70000
   86    84    85    37.50000  110.70000
   86    88    89    37.50000  110.70000
   86    88    90    37.50000  110.70000
   86    88    91    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    58.35000  112.70000
   88    86    87    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    86    87    37.50000  110.70000
   92    86    88    58.35000  112.70000
   92    95    96    37.50000  110.70000
   92    95    97    37.50000  110.70000
   92    95    98    63.00000  111.10000
   94    92    93    33.00000  107.80000
   95    92    93    37.50000  110.70000
   95    92    94    37.50000  110.70000
   95    98    99    80.00000  120.40000
   95    98   100    70.00000  116.60000
   97    95    96    33.00000  107.80000
   98    95    96    35.00000  109.50000
   98    95    97    35.00000  109.50000
   98   100   101    35.00000  119.80000
   98   100   102    50.00000  121.90000
  100    98    99    80.00000  122.90000
  100   102   103    35.00000  109.50000
  100   102   104    35.00000  109.50000
  100   102   105    63.00000  110.10000
  102   100   101    38.00000  118.40000
  102   105   106    70.00000  117.00000
  102   105   107    70.00000  117.00000
  104   102   103    33.00000  107.80000
  105   102   103    35.00000  109.50000
  105   102   104    35.00000  109.50000
  107   105   106    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    59    60    37.50000  110.70000
   41    59    65    58.35000  112.70000
   41    72    73    37.50000  110.70000
   41    72    78    58.35000  112.70000
   74    71    72    58.35000  112.70000
   74    71    84    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    58    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
   53    48    49    35.00000  109.50000
   53    48    50    50.00000  109.50000
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    84    86    87   0.15000  1.0 3.0
   85    84    86    88   0.15000  1.0 3.0
   85    84    86    92   0.15000  1.0 3.0
   86    92    95    96   0.15000  1.0 3.0
   86    92    95    97   0.15000  1.0 3.0
   86    92    95    98  -0.95700  1.0 1.0
   86    92    95    98  -0.18200 -1.0 2.0
   86    92    95    98   0.29450  1.0 3.0
   87    86    88    89   0.15000  1.0 3.0
   87    86    88    90   0.15000  1.0 3.0
   87    86    88    91   0.15000  1.0 3.0
   87    86    92    93   0.15000  1.0 3.0
   87    86    92    94   0.15000  1.0 3.0
   87    86    92    95   0.15000  1.0 3.0
   88    86    92    93   0.15000  1.0 3.0
   88    86    92    94   0.15000  1.0 3.0
   88    86    92    95   0.56750  1.0 1.0
   88    86    92    95  -0.07550 -1.0 2.0
   88    86    92    95   0.20000  1.0 3.0
   92    86    88    89   0.15000  1.0 3.0
   92    86    88    90   0.15000  1.0 3.0
   92    86    88    91   0.15000  1.0 3.0
   92    95    98    99   0.30150 -1.0 2.0
   92    95    98   100   1.39750  1.0 1.0
   92    95    98   100  -0.07950 -1.0 2.0
   92    95    98   100  -0.18750  1.0 3.0
   93    92    95    96   0.15000  1.0 3.0
   93    92    95    97   0.15000  1.0 3.0
   93    92    95    98  -0.11250  1.0 3.0
   94    92    95    96   0.15000  1.0 3.0
   94    92    95    97   0.15000  1.0 3.0
   94    92    95    98  -0.11250  1.0 3.0
   95    98   100   101   2.45000 -1.0 2.0
   95    98   100   102   1.49850  1.0 1.0
   95    98   100   102   1.53950 -1.0 2.0
   96    95    98    99   0.00000  1.0 1.0
   96    95    98   100   0.00000  1.0 1.0
   97    95    98    99   0.00000  1.0 1.0
   97    95    98   100   0.00000  1.0 1.0
   98   100   102   103   0.00000  1.0 1.0
   98   100   102   104   0.00000  1.0 1.0
   98   100   102   105  -0.29800  1.0 1.0
   98   100   102   105   0.13950 -1.0 2.0
   98   100   102   105  -2.45650  1.0 3.0
   99    98   100   101   2.45000 -1.0 2.0
   99    98   100   102   3.04450 -1.0 2.0
  100   102   105   106   0.00000  1.0 1.0
  100   102   105   107   0.00000  1.0 1.0
  101   100   102   103   0.00000  1.0 1.0
  101   100   102   104   0.00000  1.0 1.0
  101   100   102   105   0.00000  1.0 1.0
  103   102   105   106   0.00000  1.0 1.0
  103   102   105   107   0.00000  1.0 1.0
  104   102   105   106   0.00000  1.0 1.0
  104   102   105   107   0.00000  1.0 1.0
   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
   41    59    65    66   0.15000  1.0 3.0
   41    59    65    67   0.15000  1.0 3.0
   41    59   -65    68   0.56750  1.0 1.0
   41    59   -65    68  -0.07550 -1.0 2.0
   41    59   -65    68   0.20000  1.0 3.0
   41    72    78    79   0.15000  1.0 3.0
   41    72    78    80   0.15000  1.0 3.0
   41    72    78    81   0.56750  1.0 1.0
   41    72    78    81  -0.07550 -1.0 2.0
   41    72    78    81   0.20000  1.0 3.0
   74    71    72    73   0.15000  1.0 3.0
   74    71    72    78   0.56750  1.0 1.0
   74    71    72    78  -0.07550 -1.0 2.0
   74    71    72    78   0.20000  1.0 3.0
   74    71    72    41   0.56750  1.0 1.0
   74    71    72    41  -0.07550 -1.0 2.0
   74    71    72    41   0.20000  1.0 3.0
   74    71    84    81   0.56750  1.0 1.0
   74    71    84    81  -0.07550 -1.0 2.0
   74    71    84    81   0.20000  1.0 3.0
   74    71    84    85   0.15000  1.0 3.0
   74    71    84    86   0.56750  1.0 1.0
   74    71    84    86  -0.07550 -1.0 2.0
   74    71    84    86   0.20000  1.0 3.0
   61    58    59    60   0.15000  1.0 3.0
   61    58    59    65   0.56750  1.0 1.0
   61    58    59    65  -0.07550 -1.0 2.0
   61    58    59    65   0.20000  1.0 3.0
   61    58    59    41   0.56750  1.0 1.0
   61    58    59    41  -0.07550 -1.0 2.0
   61    58    59    41   0.20000  1.0 3.0
   53    48    50    51   0.23400  1.0 3.0
   53    48    50    52   0.23400  1.0 3.0
   53    48    50    55   0.86500  1.0 1.0
   53    48    50    55  -0.17500 -1.0 2.0
   53    48    50    55   0.20800  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
   95   100    98    99  10.50000 -1.0 2.0
  101    98   100   102   1.00000 -1.0 2.0
  106   102   105   107  10.50000 -1.0 2.0
END
