* LIGAND DATABASE FILE (OPLS2005)
*
001     102   106    201    333     608
    1     0 S   NP   _N1_     1    28.90357    92.66583   -22.44895
    2     1 S   H    _HN1     2     1.02852    18.37785   138.87282
    3     1 S   H    _H1_     3     1.02791    94.71292   -84.75281
    4     1 S   H    _H2_     4     1.02950   100.26812    24.69541
    5     1 S   CT   _CA1     5     1.50093   128.76482   151.89566
    6     5 S   HC   _HA1     6     1.09593   105.27363    55.52578
    7     5 S   CO3  _C1_     7     1.53795   111.84245   -64.38130
    8     7 S   O2Z  _O11     8     1.26385   115.20954   -60.51013
    9     7 S   O2Z  _O12     9     1.26218   114.83050   118.54587
   10     5 S   CT   _CB1    10     1.53066   107.35692   172.95074
   11    10 S   HC   HB11    11     1.09829   109.37262   -52.40581
   12    10 S   HC   HB12    12     1.09827   110.47734    64.05669
   13    10 S   CT   _CG1    13     1.53048   112.62560  -173.51656
   14    13 S   HC   HG11    14     1.09619   110.36376   -59.87959
   15    13 S   HC   HG12    15     1.09615   110.20286    59.42558
   16    13 S   C    _CD1    16     1.51781   111.87672   179.70926
   17    16 S   O    _OE1    17     1.22757   123.08569    -9.38904
   18    16 S   N    _N2_    18     1.38624   111.86918   170.73596
   19    18 S   H    _HN2    19     1.01569   119.20766     2.46474
   20    18 S   CT1  _CA2    20     1.46307   123.09726  -175.48503
   21    20 S   HC   _HA2    21     1.09729   109.28100   -11.26710
   22    20 S   C    _C2_    22     1.53344   108.63490  -127.16008
   23    22 S   O    _O2_    23     1.23010   122.22900  -146.53842
   24    20 S   CT   _CB2    32     1.53552   111.42980   110.32859
   25    24 S   HC   HB21    33     1.09567   109.65407    60.27063
   26    24 S   HC   HB22    34     1.09483   110.31893   179.10169
   27    22 S   N    _N3_    24     1.38509   113.37650    40.82165
   28    27 S   H    _HN3    25     1.01527   118.86308    -0.72954
   29    24 S   S    _SG2    35     1.82878   111.45023   -60.45968
   30    27 S   CT   _CA3    26     1.45452   123.53618   175.18037
   31    30 S   HC   HA31    27     1.09515   109.35692    22.05576
   32    30 S   HC   HA32    28     1.09498   107.09295   139.06746
   33    29 S   CT   _C11    36     1.87122    99.92368   168.67491
   34    33 S   HC   _H4_    37     1.09285   107.65413   -25.87984
   35    30 S   CO3  _C3_    29     1.52913   113.03248  -101.50996
   36    35 S   O2Z  _O31    30     1.26408   115.36533   -45.53668
   37    35 S   O2Z  _O32    31     1.26350   115.01437   135.40400
   38    33 S   CO3  _C12    38     1.55093    98.81429    84.29269
   39    38 S   O2Z  _O34    39     1.26406   116.63737    66.13831
   40    38 S   O2Z  _O33    40     1.26666   114.21962  -114.20625
   41    33 S   CT   _C10    41     1.59051   113.24864  -145.87089
   42    41 S   CT   _C9_    42     1.63456   113.48177  -172.18247
   43    41 S   CT   _C5_    80     1.66617   111.91940    61.97854
   44    41 S   OH   _O35   101     1.43480   105.44714   -56.43497
   45    44 S   HO   _H15   102     0.97564   108.00576   -52.89723
   46    42 S   CO4  _C13    43     1.55988   112.27340    46.31785
   47    46 S   O    _O36    44     1.23772   119.95007    57.11864
   48    43 S   CT   _C4_    81     1.57351   112.87291    21.93106
   49    48 S   HC   _H8_    82     1.09094   112.42170   -77.92028
   50    48 S   HC   _H9_    83     1.09777   111.42975   164.43984
   51    48 S   HC   _H10    84     1.09160   113.40433    45.58760
   52    43 S   CT   _C25    85     1.59192   114.01880   -98.97129
   53    52 S   HC   _H7_    86     1.09501   108.15621    56.88777
   54    42 S   CT   _C24    97     1.57240   112.65154   158.28648
   55    54 S   HC   _H28    98     1.09055   114.20067   101.03983
   56    54 S   HC   _H29    99     1.09358   112.49919   -21.38860
   57    54 S   HC   _H30   100     1.09774   112.20506  -140.54302
   58    46 S   CT   _C14    45     1.52162   121.59132  -131.95588
   59    58 S   HC   _H16    46     1.09602   107.82797   140.79837
   60    58 S   HC   _H17    47     1.09389   107.66014  -103.54900
   61    52 S   C5BC _C26    87     1.50443   117.94599   -65.64028
   62    52 S   OH   _O41    95     1.43815   108.68031   170.33033
   63    62 S   HO   _H34    96     0.97593   107.68359  -171.77925
   64    58 S   CT   _C15    48     1.50842   112.07950    20.04825
   65    64 S   HC   _H5_    49     1.10276   104.71598    64.58947
   66    61 S   C5BC _C27    88     1.42665   128.20753   -78.31110
   67    66 S   HA   _H31    89     1.08079   127.35919     2.27933
   68    64 S   CT   _C16    50     1.53730   113.27058   -51.64888
   69    64 S   CT   _C21    63     1.52682   120.37913  -178.07970
   70    66 S   C5A  _C28    90     1.37416   106.85184  -177.41048
   71    70 S   HA   _H32    91     1.08011   133.83370  -179.58457
   72    68 S   CT   _C17    51     1.54888   116.97312   -53.14519
   73    72 S   HC   _H18    52     1.09176   112.09435    33.02806
   74    72 S   HC   _H19    53     1.09272   112.04024   151.55269
   75    69 S   CT   _C22    64     1.52858   115.51970    35.08969
   76    75 S   HC   _H22    65     1.09619   110.57851   170.43367
   77    75 S   HC   _H23    66     1.09076   112.60507    51.94871
   78    75 S   HC   _H24    67     1.09517   111.46479   -69.12650
   79    69 S   CT   _C23    68     1.53423   111.41726   -89.16560
   80    79 S   HC   _H25    69     1.09621   110.79691  -175.94049
   81    79 S   HC   _H26    70     1.09477   111.58368    62.99358
   82    79 S   HC   _H27    71     1.09622   111.14476   -58.36841
   83    42 S   CT   _C8_    72     1.56523   106.29648   -79.21434
   84    83 S   HC   _H3_    73     1.09711   105.49137    42.61189
   85    70 S   OA   _O40    92     1.35580   110.43096     1.41941
   86    72 S   OS   _O37    54     1.44145   115.09848   -88.56618
   87    83 S   CT   _C7_    74     1.53923   112.29588   -69.21589
   88    87 S   HC   _H13    75     1.09364   112.43427   -95.37363
   89    87 S   HC   _H14    76     1.09776   108.59813   148.67926
   90    61 S   C5A  _C29    93     1.38306   126.97299   107.46398
   91    90 S   HA   _H33    94     1.08081   133.22916    -2.73137
   92    86 S   CO4  _C18    55     1.35618   119.15790   -52.31573
   93    92 S   O    _O38    56     1.22638   122.24354  -159.05125
   94    87 S   CT   _C6_    77     1.53524   113.31014    27.24038
   95    94 S   HC   _H11    78     1.09867   107.75469   159.38800
   96    94 S   HC   _H12    79     1.08993   109.05769   -88.65709
   97    92 S   CT   _C19    57     1.50447   115.13732    21.23079
   98    97 S   HC   _H20    58     1.09626   107.12211   151.89129
   99    97 S   HC   _H21    59     1.09284   109.22621   -90.46743
  100    68 S   CT   _C20    60     1.53135    98.82869  -169.90938
  101   100 S   HC   _H6_    61     1.09660   111.66809   -82.26551
  102   100 S   OS   _O39    62     1.45211   106.78516    34.23518
  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   9   5   4   3
  15   7   2   1   1   6   2   1  26  24  22   7   1  15   6  11
   4   3   2  14   6   8   3   2   1  12   5   4  10   4   1  22
   8   6   4  20  14   4   2  12   5   4   9   4   3   2   5   3
   2   1  12   5   2   6   6   4   3   1   1   7   4   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    41    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  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    83    94    43    48    52    54    44    45  
   38    39    40    41    42    43    44  
   36    37  
   37  
    0  
   39    40    41    42    43    44  
   40    41  
   41  
   42    46    47    58    68    83    84    87    94    95    96    43    48    49    50    51    52    53    61    62    54    55    56    57    44    45  
   46    47    58    59    60    64    68    72   100    83    84    87    88    89    94    43    48    52    54    55    56    57    44    45  
   48    49    50    51    52    53    61    66    90    62    63    54    44    45    46    83    87    88    89    94    95    96  
   45    46    48    52    54    83    94  
    0  
   47    58    59    60    64    65    68    69    83    84    87    54    55    56    57  
   58    59    60    64    83    54  
   49    50    51    52    53    61    62    87    94    95    96  
   50    51    52    94  
   51    52    94  
   52    94  
   53    61    66    67    70    85    90    91    62    63    87    94    95    96  
   61    66    90    62    63    94  
   55    56    57    58    68    83    84    87  
   56    57    83  
   57    83  
   83  
   59    60    64    65    68    72   100   102    69    75    79    83  
   60    64    65    68    69  
   64    65    68    69  
   66    67    70    71    85    90    91    62    63    94  
   63    66    90    94  
    0  
   65    68    72    73    74    86    97   100   101   102    69    75    76    77    78    79    80    81    82    83    84    87  
   68    72   100   102    69    75    79    83  
   67    70    71    85    90    91  
   70    71    85    90  
   72    73    74    86    92    97    98    99   100   101   102    69    75    79    83    84    87    88    89    94  
   75    76    77    78    79    80    81    82    83    72    97   100   101   102  
   71    85    90    91  
   85    90  
   73    74    86    92    93    97   100   101   102    83    84    87  
   74    86    92   100    83  
   86    92   100    83  
   76    77    78    79    80    81    82   100   102  
   77    78    79   102  
   78    79   102  
   79   102  
   80    81    82   100   102  
   81    82   102  
   82   102  
  102  
   84    87    88    89    94    95    96    86    97   100   101   102  
   87    88    89    94   100  
   90    91  
   92    93    97    98    99   100  
   88    89    94    95    96   100  
   89    94    95    96  
   94    95    96  
   91  
    0  
   93    97    98    99   100   101   102  
   97    98    99   100  
   95    96  
   96  
    0  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    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   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   86   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  102   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
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   317.000  1.522
   33    41   268.000  1.529
   38    39   656.000  1.250
   38    40   656.000  1.250
   41    42   268.000  1.529
   41    43   268.000  1.529
   41    44   320.000  1.410
   42    46   317.000  1.522
   42    83   268.000  1.529
   42    54   268.000  1.529
   46    47   570.000  1.229
   46    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    69   268.000  1.529
   68    72   268.000  1.529
   68   100   268.000  1.529
   68    83   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    86   320.000  1.410
   86    92   214.000  1.327
   92    93   570.000  1.229
   92    97   317.000  1.522
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   320.000  1.410
  102    69   320.000  1.410
   69    75   268.000  1.529
   69    79   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    43   268.000  1.529
   43    48   268.000  1.529
   43    52   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    61   285.000  1.502
   52    62   320.000  1.410
   61    66   469.000  1.424
   61    90   546.000  1.367
   66    67   367.000  1.080
   66    70   546.000  1.367
   70    71   367.000  1.080
   70    85   340.000  1.360
   85    90   340.000  1.360
   90    91   367.000  1.080
   62    63   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   44    45   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    70.00000  116.78000
   29    33    41    75.00000  111.63000
   33    38    39    70.00000  117.00000
   33    38    40    70.00000  117.00000
   33    41    42    58.35000  112.70000
   33    41    43    58.35000  112.70000
   33    41    44    50.00000  109.50000
   38    33    34    35.00000  109.50000
   40    38    39    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    70.00000  109.69300
   41    42    46    63.00000  111.10000
   41    42    83    58.35000  112.70000
   41    42    54    58.35000  112.70000
   41    43    94    58.35000  112.70000
   41    43    48    58.35000  112.70000
   41    43    52    58.35000  112.70000
   41    44    45    55.00000  108.50000
   42    46    47    80.00000  120.40000
   42    46    58    70.00000  116.00000
   42    83    68    58.35000  112.70000
   42    83    84    37.50000  110.70000
   42    83    87    58.35000  112.70000
   42    54    55    37.50000  110.70000
   42    54    56    37.50000  110.70000
   42    54    57    37.50000  110.70000
   46    58    59    35.00000  109.50000
   46    58    60    35.00000  109.50000
   46    58    64    63.00000  111.10000
   58    46    47    80.00000  120.40000
   58    64    65    37.50000  110.70000
   58    64    68    58.35000  112.70000
   58    64    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68   100    58.35000  112.70000
   64    68    83    58.35000  112.70000
   64    69   102    50.00000  109.50000
   64    69    75    58.35000  112.70000
   64    69    79    58.35000  112.70000
   68    64    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    86    50.00000  109.50000
   68   100    97    58.35000  112.70000
   68   100   101    37.50000  110.70000
   68   100   102    50.00000  109.50000
   68    83    84    37.50000  110.70000
   68    83    87    58.35000  112.70000
   72    86    92    83.00000  116.90000
   74    72    73    33.00000  107.80000
   86    72    73    35.00000  109.50000
   86    72    74    35.00000  109.50000
   86    92    93    83.00000  123.40000
   86    92    97    81.00000  111.40000
   92    97    98    35.00000  109.50000
   92    97    99    35.00000  109.50000
   92    97   100    63.00000  111.10000
   97    92    93    80.00000  120.40000
   97   100   101    37.50000  110.70000
   97   100   102    50.00000  109.50000
   99    97    98    33.00000  107.80000
  100    68    72    58.35000  112.70000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   102    69    60.00000  109.50000
  102   100   101    35.00000  109.50000
  102    69    75    50.00000  109.50000
  102    69    79    50.00000  109.50000
   69    64    65    37.50000  110.70000
   69    64    68    58.35000  112.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   69    79    80    37.50000  110.70000
   69    79    81    37.50000  110.70000
   69    79    82    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    69    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    42    46    63.00000  111.10000
   83    68    72    58.35000  112.70000
   83    68   100    58.35000  112.70000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    94    58.35000  112.70000
   87    83    84    37.50000  110.70000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94    43    58.35000  112.70000
   89    87    88    33.00000  107.80000
   94    87    88    37.50000  110.70000
   94    87    89    37.50000  110.70000
   94    43    48    58.35000  112.70000
   94    43    52    58.35000  112.70000
   96    94    95    33.00000  107.80000
   43    41    42    58.35000  112.70000
   43    94    95    37.50000  110.70000
   43    94    96    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   43    52    53    37.50000  110.70000
   43    52    61    70.00000  112.17500
   43    52    62    50.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    43    48    58.35000  112.70000
   52    61    66    60.00000  130.00000
   52    61    90    60.00000  130.00000
   52    62    63    55.00000  108.50000
   61    52    53    35.00000  109.50000
   61    66    67    35.00000  127.50000
   61    66    70    70.00000  107.30000
   61    90    85    70.00000  110.60000
   61    90    91    35.00000  132.10000
   66    70    71    35.00000  132.10000
   66    70    85    70.00000  110.60000
   70    66    67    35.00000  125.70000
   70    85    90    70.00000  106.50000
   85    70    71    35.00000  113.40000
   85    90    91    35.00000  113.40000
   90    61    66    70.00000  107.30000
   62    52    53    35.00000  109.50000
   62    52    61    90.00000  112.51600
   54    42    46    63.00000  111.10000
   54    42    83    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   44    41    42    50.00000  109.50000
   44    41    43    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
   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
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
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   43    52    61    90   0.04150 -1.0 2.0
   43    52    62    63  -0.11600  1.0 1.0
   43    52    62    63  -0.09450 -1.0 2.0
   43    52    62    63   0.21250  1.0 3.0
   48    43    52    53   0.15000  1.0 3.0
   48    43    52    61  -0.03700  1.0 1.0
   48    43    52    61   0.37200 -1.0 2.0
   48    43    52    61  -0.47300  1.0 3.0
   48    43    52    62   0.86500  1.0 1.0
   48    43    52    62  -0.17500 -1.0 2.0
   48    43    52    62   0.20800  1.0 3.0
   52    43    48    49   0.15000  1.0 3.0
   52    43    48    50   0.15000  1.0 3.0
   52    43    48    51   0.15000  1.0 3.0
   52    61    66    67   3.62500 -1.0 2.0
   52    61    66    70   3.62500 -1.0 2.0
   52    61    90    85   3.62500 -1.0 2.0
   52    61    90    91   3.62500 -1.0 2.0
   53    52    61    66   0.00000  1.0 1.0
   53    52    61    90   0.00000  1.0 1.0
   53    52    62    63   0.19450  1.0 3.0
   61    52    62    63   0.31900  1.0 1.0
   61    52    62    63  -0.11800 -1.0 2.0
   61    52    62    63   0.38750  1.0 3.0
   61    66    70    71   3.62500 -1.0 2.0
   61    66   -70    85   3.62500 -1.0 2.0
   66    61   -90    85   3.62500 -1.0 2.0
   66    61    90    91   3.62500 -1.0 2.0
   66    70   -85    90   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    85   3.62500 -1.0 2.0
   70    85   -90    61   3.62500 -1.0 2.0
   70    85    90    91   3.62500 -1.0 2.0
   71    70    85    90   3.62500 -1.0 2.0
   90    61    66    67   3.62500 -1.0 2.0
   90    61   -66    70   3.62500 -1.0 2.0
   62    52    61    66   0.14300 -1.0 2.0
   62    52    61    66   0.00300  1.0 3.0
   62    52    61    90   0.14300 -1.0 2.0
   62    52    61    90   0.00300  1.0 3.0
   54    42    46    47   0.30150 -1.0 2.0
   54    42    46    58   0.60050  1.0 1.0
   54    42    46    58   0.05600 -1.0 2.0
   54    42    46    58   0.26150  1.0 3.0
   54    42    83    68   0.56750  1.0 1.0
   54    42    83    68  -0.07550 -1.0 2.0
   54    42    83    68   0.20000  1.0 3.0
   54    42    83    84   0.15000  1.0 3.0
   54    42    83    87   0.56750  1.0 1.0
   54    42    83    87  -0.07550 -1.0 2.0
   54    42    83    87   0.20000  1.0 3.0
   44    41    42    46  -0.09450  1.0 1.0
   44    41    42    46  -1.12950 -1.0 2.0
   44    41    42    46   0.54000  1.0 3.0
   44    41    42    83   0.86500  1.0 1.0
   44    41    42    83  -0.17500 -1.0 2.0
   44    41    42    83   0.20800  1.0 3.0
   44    41    42    54   0.86500  1.0 1.0
   44    41    42    54  -0.17500 -1.0 2.0
   44    41    42    54   0.20800  1.0 3.0
   44    41    43    94   0.86500  1.0 1.0
   44    41    43    94  -0.17500 -1.0 2.0
   44    41    43    94   0.20800  1.0 3.0
   44    41    43    48   0.86500  1.0 1.0
   44    41    43    48  -0.17500 -1.0 2.0
   44    41    43    48   0.20800  1.0 3.0
   44    41    43    52   0.86500  1.0 1.0
   44    41    43    52  -0.17500 -1.0 2.0
   44    41    43    52   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
   39    33    38    40  10.50000 -1.0 2.0
   42    58    46    47  10.50000 -1.0 2.0
   86    97    92    93  10.50000 -1.0 2.0
   66    90    61    52   4.00000 -1.0 2.0
   70    67    66    61   1.10000 -1.0 2.0
   85    71    70    66   1.10000 -1.0 2.0
   85    91    90    61   1.10000 -1.0 2.0
END
