* LIGAND DATABASE FILE (OPLS2005)
*
001     108   112    212    343     638
    1     0 S   NP   _N1_     1    29.07342    99.06615   -24.52652
    2     1 S   H    _HN1     2     1.02950    58.93412    11.74320
    3     1 S   H    _H1_     3     1.02829    50.02837   173.96236
    4     1 S   H    _H2_     4     1.02787   109.34986   -88.53467
    5     1 S   CT   _CA1     5     1.50115   138.20242    98.11472
    6     5 S   HC   _HA1     6     1.09573   105.18894   111.87244
    7     5 S   CO3  _C1_     7     1.53790   112.48826    -8.35621
    8     7 S   O2Z  _O11     8     1.26372   115.00729   -41.87028
    9     7 S   O2Z  _O12     9     1.26242   114.95306   137.27088
   10     5 S   CT   _CB1    10     1.53079   107.41765  -130.12839
   11    10 S   HC   HB11    11     1.09834   109.37926   -49.53815
   12    10 S   HC   HB12    12     1.09813   110.44212    67.07555
   13    10 S   CT   _CG1    13     1.52988   112.60519  -170.51088
   14    13 S   HC   HG11    14     1.09582   110.63259   -65.71259
   15    13 S   HC   HG12    15     1.09670   109.78280    53.51958
   16    13 S   C    _CD1    16     1.51799   112.23191   173.98432
   17    16 S   O    _OE1    17     1.22729   123.28811     7.09110
   18    16 S   N    _N2_    18     1.38654   111.66132  -172.99607
   19    18 S   H    _HN2    19     1.01575   118.92538     1.87711
   20    18 S   CT1  _CA2    20     1.46212   123.41509   177.66376
   21    20 S   HC   _HA2    21     1.09737   109.37034     3.52281
   22    20 S   C    _C2_    22     1.53566   108.59646  -111.98932
   23    22 S   O    _O2_    23     1.23061   122.28672  -147.53989
   24    20 S   CT   _CB2    32     1.53370   111.54989   125.54819
   25    24 S   HC   HB21    33     1.09578   109.99122    56.30416
   26    24 S   HC   HB22    34     1.09426   109.97399   175.38348
   27    22 S   N    _N3_    24     1.38329   113.71603    39.87875
   28    27 S   H    _HN3    25     1.01580   119.59334    -3.20644
   29    24 S   S    _SG2    35     1.82783   111.42245   -64.70554
   30    27 S   CT   _CA3    26     1.45288   123.22319   177.17867
   31    30 S   HC   HA31    27     1.09550   107.50665   -64.74910
   32    30 S   HC   HA32    28     1.09557   107.99225    51.69459
   33    29 S   CT   _C30    36     1.84023   100.07652   169.57774
   34    33 S   HC   _H3_    37     1.09711   106.29875   -45.30813
   35    30 S   CO3  _C3_    29     1.52962   114.07275   173.69600
   36    35 S   O2Z  _O31    30     1.26377   116.06989    -0.61992
   37    35 S   O2Z  _O32    31     1.26426   114.41595   179.44117
   38    33 S   CT   _C28    38     1.53033   110.42976    71.53893
   39    38 S   HC   _H67    39     1.09527   112.18531    58.67519
   40    38 S   HC   _H68    40     1.09447   111.67432   -62.77795
   41    38 S   HC   _H69    41     1.09572   110.37868   178.75040
   42    33 S   CT   _C29    42     1.54956   113.72408  -162.26542
   43    42 S   HC   _H70    43     1.09991   105.82033   173.44172
   44    42 S   CO4  _C9_    44     1.52301   114.05455   -69.21135
   45    44 S   O    _O33    45     1.22289   125.30035    47.29975
   46    42 S   CT   _C27   105     1.52911   113.99056    56.28681
   47    46 S   HC   _H64   106     1.09490   112.18186   -70.69196
   48    46 S   HC   _H65   107     1.09620   110.31707   170.45235
   49    46 S   HC   _H66   108     1.09473   111.01745    50.99603
   50    44 S   OS   _O40    46     1.36665   109.32016  -134.44904
   51    50 S   CT   _C18    47     1.45075   117.47554  -177.04309
   52    51 S   HC   _H50    48     1.09453   108.78111   -38.08645
   53    51 S   CT   _C11    49     1.55279   110.10942  -158.49985
   54    53 S   HC   _H43    50     1.10160   105.83638   -61.02487
   55    51 S   CT   _C17    78     1.54234   106.04491    82.79333
   56    55 S   HC   _H49    79     1.09733   109.23478   -58.89008
   57    53 S   CM   _C5_    51     1.53798   117.40812    53.09699
   58    57 S   CM   _C4_    52     1.34433   121.18792   163.78301
   59    58 S   HC   _H40    53     1.08489   122.32780   178.56960
   60    57 S   CT   _C23   101     1.50303   120.81975   -18.11358
   61    60 S   HC   _H52   102     1.09386   110.70884   -63.94305
   62    60 S   HC   _H53   103     1.09617   112.17513   177.03456
   63    60 S   HC   _H54   104     1.09413   110.71479    58.22075
   64    58 S   CO4  _C6_    54     1.47911   121.27973    -2.51723
   65    64 S   O    _O28    55     1.23072   119.14697   177.47997
   66    64 S   CT   _C12    56     1.52243   118.66879    -1.47366
   67    66 S   HC   _H44    57     1.09786   106.50820    92.81231
   68    53 S   CT   _C21    58     1.58745   110.92955  -177.72858
   69    66 S   OH   _O36    99     1.41538   107.07022  -152.69497
   70    69 S   HO   _H72   100     0.97299   107.73634   -57.14713
   71    68 S   CT   _C15    59     1.60500   110.90660    51.90665
   72    71 S   HC   _H47    60     1.09410   104.59119    81.06357
   73    68 S   CT   _C26    95     1.55780   110.36023   -73.61265
   74    73 S   HC   _H61    96     1.09138   112.78283  -176.53191
   75    73 S   HC   _H62    97     1.08963   112.59596    61.23058
   76    73 S   HC   _H63    98     1.09400   112.77259   -57.88814
   77    71 S   CT   _C20    61     1.54661   116.30054   -40.48377
   78    77 S   CT   _C10    62     1.53687   101.57589   -83.74903
   79    78 S   HC   _H41    63     1.09095   114.12858    89.07918
   80    78 S   HC   _H42    64     1.09527   113.19246  -149.67654
   81    77 S   CT   _C14    71     1.57830   111.28005   161.07071
   82    81 S   HC   _H46    72     1.10232   107.22737   173.37644
   83    78 S   OS   _O35    65     1.43826   106.25831   -29.97241
   84    81 S   CT   _C13    73     1.53718   110.81473   -71.77843
   85    84 S   HC   _H45    74     1.09338   111.02710    71.55316
   86    71 S   CO   _C22    66     1.55310   118.70966  -155.92428
   87    84 S   CO4  _C7_    75     1.51530   112.70113   -49.43897
   88    87 S   O    _O29    76     1.22746   123.48585  -145.54509
   89    84 S   OS   _O39    80     1.44354   109.78076  -166.15554
   90    86 S   CT   _C19    67     1.55043   111.72163  -162.45481
   91    90 S   HC   _H51    68     1.09812   108.29239  -177.86806
   92    87 S   OS   _O34    77     1.34850   115.24731    41.07550
   93    89 S   CO4  _C8_    81     1.36497   117.61720  -148.55786
   94    93 S   O    _O30    82     1.22305   126.37823     1.11838
   95    86 S   OH   _O38    93     1.41420   113.65361   -39.23356
   96    95 S   HO   _H74    94     0.97080   108.87927  -155.39314
   97    90 S   CT   _C16    69     1.54167   112.77275   -59.45425
   98    97 S   HC   _H48    70     1.10027   105.40199   -75.52766
   99    93 S   CT   _C24    83     1.49826   109.46720  -179.14912
  100    99 S   HC   _H55    84     1.09283   109.82596   -61.93867
  101    99 S   HC   _H56    85     1.09376   109.35597   178.95432
  102    99 S   HC   _H57    86     1.09292   109.82697    59.97596
  103    90 S   OH   _O37    91     1.42594   110.81678    67.23986
  104   103 S   HO   _H73    92     0.96925   109.37512   -71.52710
  105    97 S   CT   _C25    87     1.52879   111.65206   171.99678
  106   105 S   HC   _H58    88     1.09321   112.39497   -62.40334
  107   105 S   HC   _H59    89     1.09464   110.92006   175.27217
  108   105 S   HC   _H60    90     1.09603   110.16834    56.87596
  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
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  10  17   8  24   8  18   6  12  11   4   5   2   1   1   8
   4  12   5  15   3   1  21   8   5   2   1   1  17  11   4   3
  19   8   7  12   6   9   5   2   8  11   6   1   5   4   3   1
   7   5   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    55    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    57    68    77    92    55    56  
   52    53    54    57    58    66    68    71    77    78    81    87    92    55    56    73    60  
   53    54    57    68    77    92    55    56  
   54    57    58    59    64    66    67    68    71    72    77    86    92    55    56    73    74    75    76    69    60    61    62    63  
   57    58    66    68    71    55    73    60  
   56    57    68    71    72    77    78    79    80    81    82    83    84    86    87    88    92    97  
   71    77    78    81    87    92  
   58    59    64    65    66    68    71    73    60    61    62    63  
   59    64    65    66    67    68    69    60    61    62    63  
   64    65    66    60  
   61    62    63    64    68  
   62    63  
   63  
    0  
   65    66    67    68    71    73    69    70  
   66    67    68    69  
   67    68    71    72    77    86    73    74    75    76    69    70  
   68    71    73    69    70  
   71    72    77    78    83    86    90    81    95    73    74    75    76    69    70  
   70    71    73  
    0  
   72    77    78    79    80    83    86    90    91    97    81    82    84    92   103    95    96    73    74    75    76  
   77    78    83    86    90    81    95    73  
   74    75    76    77    86  
   75    76  
   76  
    0  
   78    79    80    83    86    90    97    98    81    82    84    85    87    92    89   105    95  
   79    80    83    86    90    97    81    82    84    92    95  
   80    83    86    81  
   83    86    81  
   82    84    85    87    88    92    89    93   105   106   107   108   103    83    86    90    91    97    98  
   84    85    87    89   105    90    97    98  
   86    90    91    97   103    95    96  
   85    87    88    92    89    93    94    99   105    90    97    98  
   87    88    92    89    93    97  
   90    91    97    98   105   103   104    95    96  
   88    92    89    93    97  
   92    89  
   93    94    99   100   101   102    92    97  
   91    97    98   105   106   107   108   103   104    95    96  
   97    98   105   103   104    95  
    0  
   94    99   100   101   102  
   99   100   101   102  
   96    97   103  
    0  
   98   105   106   107   108   103   104  
  105   106   107   108   103  
  100   101   102  
  101   102  
  102  
    0  
  104   105  
    0  
  106   107   108  
  107   108  
  108  
    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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   84   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  104   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   317.000  1.510
   53    68   268.000  1.529
   57    58   549.000  1.340
   57    60   317.000  1.510
   58    59   340.000  1.080
   58    64   320.000  1.462
   64    65   570.000  1.229
   64    66   317.000  1.522
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    69   320.000  1.410
   68    71   268.000  1.529
   68    73   268.000  1.529
   71    72   340.000  1.090
   71    77   268.000  1.529
   71    86   250.000  1.527
   77    78   268.000  1.529
   77    81   268.000  1.529
   77    55   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   320.000  1.410
   83    86   320.000  1.380
   86    90   250.000  1.527
   86    95   380.000  1.407
   90    91   340.000  1.090
   90    97   268.000  1.529
   90   103   320.000  1.410
   97    98   340.000  1.090
   97    81   268.000  1.529
   97   105   268.000  1.529
   81    82   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    87   317.000  1.522
   84    89   320.000  1.410
   87    88   570.000  1.229
   87    92   214.000  1.327
   92    55   320.000  1.410
   55    56   340.000  1.090
   89    93   214.000  1.327
   93    94   570.000  1.229
   93    99   317.000  1.522
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  103   104   553.000  0.945
   95    96   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   69    70   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    55    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    57    70.00000  112.02700
   51    53    68    58.35000  112.70000
   51    55    77    58.35000  112.70000
   51    55    92    50.00000  109.50000
   51    55    56    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    57    58    70.00000  124.00000
   53    57    60    65.00000  117.92700
   53    68    66    58.35000  112.70000
   53    68    71    58.35000  112.70000
   53    68    73    58.35000  112.70000
   57    53    54    35.00000  109.50000
   57    58    59    35.00000  120.00000
   57    58    64    65.00000  118.96000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    63    35.00000  109.50000
   58    64    65    80.00000  123.72100
   58    64    66    65.00000  118.62400
   64    58    59    40.00000  117.72500
   64    66    67    35.00000  109.50000
   64    66    68    63.00000  111.10000
   64    66    69    90.00000  109.61100
   66    64    65    80.00000  120.40000
   66    68    71    58.35000  112.70000
   66    68    73    58.35000  112.70000
   66    69    70    55.00000  108.50000
   68    53    54    37.50000  110.70000
   68    53    57    70.00000  112.02700
   68    66    67    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    77    58.35000  112.70000
   68    71    86    75.00000  109.43000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   71    77    78    58.35000  112.70000
   71    77    81    58.35000  112.70000
   71    77    55    58.35000  112.70000
   71    86    83    90.00000  108.56700
   71    86    90    65.00000  112.71400
   71    86    95    90.00000  110.19100
   77    71    72    37.50000  110.70000
   77    78    79    37.50000  110.70000
   77    78    80    37.50000  110.70000
   77    78    83    50.00000  109.50000
   77    81    97    58.35000  112.70000
   77    81    82    37.50000  110.70000
   77    81    84    58.35000  112.70000
   77    55    92    50.00000  109.50000
   77    55    56    37.50000  110.70000
   78    83    86    60.00000  109.50000
   80    78    79    33.00000  107.80000
   83    78    79    35.00000  109.50000
   83    78    80    35.00000  109.50000
   83    86    90    90.00000  108.56700
   83    86    95   110.00000  112.08000
   86    71    72    45.00000  108.72000
   86    71    77    75.00000  109.43000
   86    90    91    45.00000  108.72000
   86    90    97    75.00000  109.43000
   86    90   103    90.00000  111.58700
   86    95    96    70.00000  107.92000
   90    97    98    37.50000  110.70000
   90    97    81    58.35000  112.70000
   90    97   105    58.35000  112.70000
   90   103   104    55.00000  108.50000
   97    90    91    37.50000  110.70000
   97    81    82    37.50000  110.70000
   97    81    84    58.35000  112.70000
   97   105   106    37.50000  110.70000
   97   105   107    37.50000  110.70000
   97   105   108    37.50000  110.70000
   81    77    78    58.35000  112.70000
   81    97    98    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    87    63.00000  111.10000
   81    84    89    50.00000  109.50000
   84    81    82    37.50000  110.70000
   84    87    88    80.00000  120.40000
   84    87    92    81.00000  111.40000
   84    89    93    83.00000  116.90000
   87    84    85    35.00000  109.50000
   87    92    55    83.00000  116.90000
   92    87    88    83.00000  123.40000
   92    55    56    35.00000  109.50000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    77    78    58.35000  112.70000
   55    77    81    58.35000  112.70000
   89    84    85    35.00000  109.50000
   89    84    87    90.00000  108.74100
   89    93    94    83.00000  123.40000
   89    93    99    81.00000  111.40000
   93    99   100    35.00000  109.50000
   93    99   101    35.00000  109.50000
   93    99   102    35.00000  109.50000
   99    93    94    80.00000  120.40000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
  105    97    98    37.50000  110.70000
  105    97    81    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  103    90    91    35.00000  109.50000
  103    90    97    50.00000  109.50000
   95    86    90    90.00000  110.19100
   73    68    71    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    50.00000  109.50000
   60    57    58    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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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   97    90   103   104   0.21250  1.0 3.0
   97    81    84    85   0.15000  1.0 3.0
   97    81    84    87  -0.95700  1.0 1.0
   97    81    84    87  -0.18200 -1.0 2.0
   97    81    84    87   0.29450  1.0 3.0
   97    81    84    89   0.62750  1.0 1.0
   97    81    84    89  -0.30950 -1.0 2.0
   97    81    84    89   0.27300  1.0 3.0
   98    97    81    77   0.15000  1.0 3.0
   98    97    81    82   0.15000  1.0 3.0
   98    97    81    84   0.15000  1.0 3.0
   98    97   105   106   0.15000  1.0 3.0
   98    97   105   107   0.15000  1.0 3.0
   98    97   105   108   0.15000  1.0 3.0
   81    77    78    79   0.15000  1.0 3.0
   81    77    78    80   0.15000  1.0 3.0
   81    77    78    83   0.62750  1.0 1.0
   81    77    78    83  -0.30950 -1.0 2.0
   81    77    78    83   0.27300  1.0 3.0
   81    77    55    51   0.56750  1.0 1.0
   81    77    55    51  -0.07550 -1.0 2.0
   81    77    55    51   0.20000  1.0 3.0
   81    77    55    92   0.62750  1.0 1.0
   81    77    55    92  -0.30950 -1.0 2.0
   81    77    55    92   0.27300  1.0 3.0
   81    77    55    56   0.15000  1.0 3.0
   81    97   105   106   0.15000  1.0 3.0
   81    97   105   107   0.15000  1.0 3.0
   81    97   105   108   0.15000  1.0 3.0
   81    84    87    88   0.30150 -1.0 2.0
   81    84   -87    92   0.36750  1.0 3.0
   81    84    89    93  -0.25900  1.0 1.0
   81    84    89    93  -0.47000 -1.0 2.0
   81    84    89    93   0.11750  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    87  -0.11250  1.0 3.0
   82    81    84    89   0.23400  1.0 3.0
   84    87    92    55   1.63150  1.0 1.0
   84    87    92    55   2.92000 -1.0 2.0
   84    89    93    94   3.00000 -1.0 2.0
   84    89    93    99   1.63150  1.0 1.0
   84    89    93    99   2.92000 -1.0 2.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    92   0.00000  1.0 1.0
   85    84    89    93   0.08050  1.0 3.0
   87    84    89    93  -1.80650  1.0 1.0
   87    84    89    93   0.63900 -1.0 2.0
   87    84    89    93   0.03650  1.0 3.0
   87    92    55    51  -0.25900  1.0 1.0
   87    92    55    51  -0.47000 -1.0 2.0
   87    92    55    51   0.11750  1.0 3.0
   87    92   -55    77  -0.25900  1.0 1.0
   87    92   -55    77  -0.47000 -1.0 2.0
   87    92   -55    77   0.11750  1.0 3.0
   87    92    55    56   0.08050  1.0 3.0
   88    87    92    55   3.00000 -1.0 2.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    57   0.34400  1.0 1.0
   55    51    53    57   0.09450 -1.0 2.0
   55    51    53    57   0.11100  1.0 3.0
   55    51   -53    68   0.56750  1.0 1.0
   55    51   -53    68  -0.07550 -1.0 2.0
   55    51   -53    68   0.20000  1.0 3.0
   55    77    78    79   0.15000  1.0 3.0
   55    77    78    80   0.15000  1.0 3.0
   55    77    78    83   0.62750  1.0 1.0
   55    77    78    83  -0.30950 -1.0 2.0
   55    77    78    83   0.27300  1.0 3.0
   55    77    81    97   0.56750  1.0 1.0
   55    77    81    97  -0.07550 -1.0 2.0
   55    77    81    97   0.20000  1.0 3.0
   55    77    81    82   0.15000  1.0 3.0
   55    77   -81    84   0.56750  1.0 1.0
   55    77   -81    84  -0.07550 -1.0 2.0
   55    77   -81    84   0.20000  1.0 3.0
   89    84    87    88   0.30150 -1.0 2.0
   89    84    87    92   0.40000  1.0 3.0
   89    93    99   100   0.00000  1.0 1.0
   89    93    99   101   0.00000  1.0 1.0
   89    93    99   102   0.00000  1.0 1.0
   94    93    99   100   0.00000  1.0 1.0
   94    93    99   101   0.00000  1.0 1.0
   94    93    99   102   0.00000  1.0 1.0
  105    97    81    77   0.56750  1.0 1.0
  105    97    81    77  -0.07550 -1.0 2.0
  105    97    81    77   0.20000  1.0 3.0
  105    97    81    82   0.15000  1.0 3.0
  105    97    81    84   0.56750  1.0 1.0
  105    97    81    84  -0.07550 -1.0 2.0
  105    97    81    84   0.20000  1.0 3.0
  103    90    97    98   0.23400  1.0 3.0
  103    90    97    81   0.86500  1.0 1.0
  103    90    97    81  -0.17500 -1.0 2.0
  103    90    97    81   0.20800  1.0 3.0
  103    90    97   105   0.86500  1.0 1.0
  103    90    97   105  -0.17500 -1.0 2.0
  103    90    97   105   0.20800  1.0 3.0
   95    86    90    91   0.23400  1.0 3.0
   95    86    90    97   0.86500  1.0 1.0
   95    86    90    97  -0.17500 -1.0 2.0
   95    86    90    97   0.20800  1.0 3.0
   95    86    90   103   3.75450  1.0 1.0
   73    68    71    72   0.15000  1.0 3.0
   73    68    71    77   0.56750  1.0 1.0
   73    68    71    77  -0.07550 -1.0 2.0
   73    68    71    77   0.20000  1.0 3.0
   73    68    71    86   3.97050  1.0 1.0
   69    66    68    53   0.86500  1.0 1.0
   69    66    68    53  -0.17500 -1.0 2.0
   69    66    68    53   0.20800  1.0 3.0
   69    66    68    71   0.86500  1.0 1.0
   69    66    68    71  -0.17500 -1.0 2.0
   69    66    68    71   0.20800  1.0 3.0
   69    66    68    73   0.86500  1.0 1.0
   69    66    68    73  -0.17500 -1.0 2.0
   69    66    68    73   0.20800  1.0 3.0
   60    57    58    59   7.00000 -1.0 2.0
   60    57    58    64   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   53    60    57    58   1.10000 -1.0 2.0
   64    59    58    57   1.10000 -1.0 2.0
   58    66    64    65  10.50000 -1.0 2.0
   84    92    87    88  10.50000 -1.0 2.0
   89    99    93    94  10.50000 -1.0 2.0
END
