* LIGAND DATABASE FILE (OPLS2005)
*
001     107   110    208    325     616
    1     0 S   NP   _N1_     1    29.24929    98.92061   -19.67043
    2     1 S   H    _HN1     2     1.02834    60.04351   148.43268
    3     1 S   H    _H1_     3     1.02786    78.49400   -92.98720
    4     1 S   H    _H2_     4     1.02951    68.53785    22.11758
    5     1 S   CT   _CA1     5     1.50071   168.44718   109.37246
    6     5 S   HC   _HA1     6     1.09571   105.30402    95.11729
    7     5 S   CO3  _C1_     7     1.53850   112.22863   -25.25307
    8     7 S   O2Z  _O11     8     1.26355   115.04755   -49.15542
    9     7 S   O2Z  _O12     9     1.26231   114.91503   130.02792
   10     5 S   CT   _CB1    10     1.53070   107.42860  -146.93309
   11    10 S   HC   HB11    11     1.09824   109.62119   -50.41782
   12    10 S   HC   HB12    12     1.09796   110.33106    66.15734
   13    10 S   CT   _CG1    13     1.52945   112.45047  -171.37971
   14    13 S   HC   HG11    14     1.09471   110.48666   -59.42909
   15    13 S   HC   HG12    15     1.09642   109.97473    59.73965
   16    13 S   C    _CD1    16     1.51686   112.31674  -179.57296
   17    16 S   O    _OE1    17     1.22728   123.28167    -0.85729
   18    16 S   N    _N2_    18     1.38618   111.62321   179.02201
   19    18 S   H    _HN2    19     1.01647   119.13283     2.14402
   20    18 S   CT1  _CA2    20     1.46172   123.30301  -179.85735
   21    20 S   HC   _HA2    21     1.09738   109.37948     0.95736
   22    20 S   C    _C2_    22     1.53465   108.80149  -114.73090
   23    22 S   O    _O2_    23     1.23065   122.24301  -148.32685
   24    20 S   CT   _CB2    32     1.53513   111.38859   122.79437
   25    24 S   HC   HB21    33     1.09221   109.18675    58.89417
   26    24 S   HC   HB22    34     1.09437   109.55266   177.33090
   27    22 S   N    _N3_    24     1.38324   113.71114    39.19760
   28    27 S   H    _HN3    25     1.01599   119.57244    -3.76780
   29    24 S   S    _SG2    35     1.83002   110.85860   -63.26727
   30    27 S   CT   _CA3    26     1.45288   123.12857   176.95599
   31    30 S   HC   HA31    27     1.09553   107.53787   -63.26965
   32    30 S   HC   HA32    28     1.09557   107.93031    53.13237
   33    29 S   CT   _C21    36     1.89546   103.85175   166.06656
   34    30 S   CO3  _C3_    29     1.52940   114.14848   175.07773
   35    34 S   O2Z  _O31    30     1.26367   116.07593    -1.60596
   36    34 S   O2Z  _O32    31     1.26435   114.40957   178.45237
   37    33 S   CT   _C20    37     1.57107   107.39621   -65.25689
   38    37 S   HC   _H9_    38     1.09499   110.01694    65.27653
   39    33 S   CT   _C22   103     1.57059   106.15167    48.94936
   40    39 S   HC   _H26   104     1.09600   110.92171   -68.71311
   41    39 S   HC   _H27   105     1.09094   112.45242   173.97601
   42    37 S   CT   _C19    39     1.52991   112.74499  -176.68040
   43    42 S   HC   _H24    40     1.09636   109.89694   -69.55504
   44    42 S   HC   _H25    41     1.09742   109.33396   173.87580
   45    37 S   OS   _O36    96     1.44670   111.44778   -56.48024
   46    39 S   OH   _O35   106     1.42110   113.40266    52.05594
   47    46 S   HO   _H28   107     0.97240   107.36222  -179.95154
   48    42 S   CT   _C18    42     1.52645   113.67221    52.99759
   49    48 S   HC   _H22    43     1.09367   109.68706    68.82338
   50    48 S   HC   _H23    44     1.09151   106.34856  -178.43915
   51    45 S   CO4  _C23    97     1.36094   119.18516   124.13197
   52    51 S   O    _O37    98     1.22295   126.74387    -1.59299
   53    48 S   CT   _C9_    45     1.55232   112.29381   -55.50596
   54    53 S   HC   _H5_    46     1.09557   105.46315   -53.80234
   55    51 S   CT   _C24    99     1.49857   109.26441   178.54384
   56    55 S   HC   _H29   100     1.09288   109.84610   -59.85255
   57    55 S   HC   _H30   101     1.09361   109.30963  -178.82214
   58    55 S   HC   _H31   102     1.09248   109.87492    62.01721
   59    53 S   CT   _C10    47     1.61407   114.06069  -164.47660
   60    59 S   CT   _C5_    48     1.58162   108.14661  -176.36606
   61    60 S   HC   _H3_    49     1.09871   107.69411   -67.24108
   62    59 S   CT   _C12    77     1.59332   107.42494    65.14029
   63    62 S   HC   _H6_    78     1.09154   109.18140   -38.17632
   64    59 S   CT   _C11    92     1.54485   111.71969   -52.53223
   65    64 S   HC   _H15    93     1.09433   112.00309   173.08894
   66    64 S   HC   _H16    94     1.09416   111.70346    54.01125
   67    64 S   HC   _H17    95     1.08720   113.36171   -68.49539
   68    60 S   CT   _C6_    50     1.53173   113.57718    48.36521
   69    68 S   HC   _H13    51     1.09436   111.74166    66.94384
   70    68 S   HC   _H14    52     1.09864   109.03204  -178.81436
   71    60 S   CT   _C4_    73     1.53407   116.12415   174.73705
   72    71 S   HC   _H10    74     1.09311   112.38149   -54.52959
   73    71 S   HC   _H11    75     1.09651   110.72778  -174.22070
   74    71 S   HC   _H12    76     1.09138   111.40932    68.69030
   75    62 S   CT   _C13    79     1.52799   119.54488  -159.17664
   76    75 S   HC   _H18    80     1.09540   112.09896    79.36721
   77    75 S   HC   _H19    81     1.09028   112.39312   -41.43987
   78    62 S   OS   _O34    91     1.43895   111.39705    77.35679
   79    68 S   CT   _C7_    53     1.53222   111.52001   -59.63543
   80    79 S   HC   _H4_    54     1.09331   106.52900   -56.99462
   81    75 S   CT   _C14    82     1.51405   103.51271  -158.40954
   82    81 S   HC   _H7_    83     1.09487   112.42457   147.82537
   83    33 S   CT   _C8_    55     1.66325   112.98145   173.45441
   84    79 S   OS   _O40    66     1.44246   107.73224  -174.31404
   85    81 S   CM   _C15    84     1.48438   115.73777   -84.87796
   86    85 S   HC   _H20    85     1.07895   125.78710   -63.08214
   87    83 S   CT   _C25    56     1.58332   112.06727    55.48949
   88    87 S   HC   _H32    57     1.08583   110.73748  -175.30468
   89    87 S   HC   _H33    58     1.08982   112.12089    66.55301
   90    84 S   CO4  _C28    67     1.36227   118.17239    84.62625
   91    90 S   O    _O41    68     1.22321   126.58597    -0.89962
   92    85 S   CM   _C16    86     1.32682   108.48401   119.36230
   93    92 S   HC   _H21    87     1.07556   128.49659   177.61181
   94    87 S   OS   _O38    59     1.43524   114.08125   -57.07343
   95    90 S   CT   _C29    69     1.49865   109.39359   178.93706
   96    95 S   HC   _H37    70     1.09254   109.87863   -66.18360
   97    95 S   HC   _H38    71     1.09376   109.33820   174.49213
   98    95 S   HC   _H39    72     1.09313   109.88923    55.73039
   99    92 S   OS   _O33    88     1.37669   116.46874    -1.51207
  100    94 S   CO4  _C26    60     1.36212   116.28969   175.03422
  101   100 S   O    _O39    61     1.22324   126.25526     1.62293
  102    81 S   CO   _C17    89     1.53025   104.21944    25.28026
  103   102 S   HC   _H8_    90     1.09529   112.25208   108.63954
  104   100 S   CT   _C27    62     1.49803   109.50364  -177.69217
  105   104 S   HC   _H34    63     1.09304   109.92263   -56.23787
  106   104 S   HC   _H35    64     1.09361   109.39842  -175.15463
  107   104 S   HC   _H36    65     1.09231   109.65836    65.57967
  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  13   5   4   3
  25   2   1   1  19   8  10   4   3  11   6   5   8   2   1  11
   5   4   5   4  22   7   3   2   1   1  24  20  10  18   7   8
   2   1   1  12   6   5   4   2   1   1  11   6   5   7  10   4
   8   6   7   7   6   4   6   3   2   5   4   4   2   6   3   2
   1   1   2   5   4   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    83    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    53    79    83    87    45    39    40    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    48    53    54    59    68    79    80    83    87    88    89    94    84    45    51    39    40    41    46    47  
   35    36  
   36  
    0  
   38    42    43    44    48    49    50    53    79    83    87    45    51    52    55    39    40    41    46  
   42    43    44    48    83    45    51    39  
   40    41    46    47    42    45    53    79    83    87  
   41    46    47    83  
   46    47    83  
   43    44    48    49    50    53    54    59    83    45    51  
   44    48    49    50    53    45  
   48    49    50    53    45  
   51    52    55    56    57    58    48    83  
   47    83  
    0  
   49    50    53    54    59    60    79    83    87    62    64  
   50    53    54    59    83  
   53    54    59    83  
   52    55    56    57    58  
   55    56    57    58  
   54    59    60    61    68    79    80    83    87    88    89    94    84    71    62    63    75    78    64    65    66    67  
   59    60    79    83    87    62    64  
   56    57    58  
   57    58  
   58  
    0  
   60    61    68    69    70    79    83    87    71    72    73    74    62    63    75    76    77    81   102    78    64    65    66    67  
   61    68    69    70    79    80    83    84    71    72    73    74    62    63    75    78    64    65    66    67  
   68    69    70    79    71    72    73    74    62    64  
   63    75    76    77    81    82    85    99   102   103    78    64    65    66    67    68    71    83  
   75    76    77    81   102    78    64  
   65    66    67    68    71    75    78    83  
   66    67  
   67  
    0  
   69    70    79    80    83    87    84    90    71    72    73    74  
   70    79    80    83    84    71  
   79    80    83    84    71  
   72    73    74    79  
   73    74  
   74  
    0  
   76    77    81    82    85    86    92    99   102   103    78  
   77    81    82    85   102    78  
   81    82    85   102    78  
   81    82    85    92    99   102   103  
   80    83    87    88    89    94    84    90    91    95  
   83    87    84    90  
   82    85    86    92    93    99   102   103  
   85    86    92    99   102   103  
   87    88    89    94   100    84    90  
   90    91    95    96    97    98    87  
   86    92    93    99   102   103  
   92    93    99   102  
   88    89    94   100   101   104  
   89    94   100  
   94   100  
   91    95    96    97    98  
   95    96    97    98  
   93    99   102   103  
   99   102  
  100   101   104   105   106   107  
   96    97    98  
   97    98  
   98  
    0  
  102   103  
  101   104   105   106   107  
  104   105   106   107  
  103  
    0  
  105   106   107  
  106   107  
  107  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   93   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   94   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  100   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  102   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    83   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    45   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    83   268.000  1.529
   59    60   268.000  1.529
   59    62   268.000  1.529
   59    64   268.000  1.529
   60    61   340.000  1.090
   60    68   268.000  1.529
   60    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    79   268.000  1.529
   79    80   340.000  1.090
   79    83   268.000  1.529
   79    84   320.000  1.410
   83    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   320.000  1.410
   94   100   214.000  1.327
  100   101   570.000  1.229
  100   104   317.000  1.522
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   84    90   214.000  1.327
   90    91   570.000  1.229
   90    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   62    63   340.000  1.090
   62    75   268.000  1.529
   62    78   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    85   317.000  1.510
   81   102   250.000  1.527
   85    86   340.000  1.080
   85    92   549.000  1.340
   92    93   340.000  1.080
   92    99   440.000  1.360
   99   102   320.000  1.380
  102   103   340.000  1.090
  102    78   320.000  1.380
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   45    51   214.000  1.327
   51    52   570.000  1.229
   51    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    46   320.000  1.410
   46    47   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    83    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    45    50.00000  109.50000
   33    83    53    58.35000  112.70000
   33    83    79    58.35000  112.70000
   33    83    87    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    48    58.35000  112.70000
   37    45    51    83.00000  116.90000
   42    37    38    37.50000  110.70000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    53    58.35000  112.70000
   44    42    43    33.00000  107.80000
   48    42    43    37.50000  110.70000
   48    42    44    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    59    58.35000  112.70000
   48    53    83    58.35000  112.70000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    59    60    58.35000  112.70000
   53    59    62    58.35000  112.70000
   53    59    64    58.35000  112.70000
   53    83    79    58.35000  112.70000
   53    83    87    58.35000  112.70000
   59    53    54    37.50000  110.70000
   59    60    61    37.50000  110.70000
   59    60    68    58.35000  112.70000
   59    60    71    58.35000  112.70000
   59    62    63    37.50000  110.70000
   59    62    75    58.35000  112.70000
   59    62    78    50.00000  109.50000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    79    58.35000  112.70000
   60    71    72    37.50000  110.70000
   60    71    73    37.50000  110.70000
   60    71    74    37.50000  110.70000
   68    60    61    37.50000  110.70000
   68    79    80    37.50000  110.70000
   68    79    83    58.35000  112.70000
   68    79    84    50.00000  109.50000
   70    68    69    33.00000  107.80000
   79    68    69    37.50000  110.70000
   79    68    70    37.50000  110.70000
   79    83    87    58.35000  112.70000
   79    84    90    83.00000  116.90000
   83    33    37    58.35000  112.70000
   83    53    54    37.50000  110.70000
   83    53    59    58.35000  112.70000
   83    79    80    37.50000  110.70000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    94    50.00000  109.50000
   87    94   100    83.00000  116.90000
   89    87    88    33.00000  107.80000
   94    87    88    35.00000  109.50000
   94    87    89    35.00000  109.50000
   94   100   101    83.00000  123.40000
   94   100   104    81.00000  111.40000
  100   104   105    35.00000  109.50000
  100   104   106    35.00000  109.50000
  100   104   107    35.00000  109.50000
  104   100   101    80.00000  120.40000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    83    50.00000  109.50000
   84    90    91    83.00000  123.40000
   84    90    95    81.00000  111.40000
   90    95    96    35.00000  109.50000
   90    95    97    35.00000  109.50000
   90    95    98    35.00000  109.50000
   95    90    91    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   71    60    61    37.50000  110.70000
   71    60    68    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   62    59    60    58.35000  112.70000
   62    75    76    37.50000  110.70000
   62    75    77    37.50000  110.70000
   62    75    81    58.35000  112.70000
   62    78   102    60.00000  109.50000
   75    62    63    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    85    70.00000  112.02700
   75    81   102    75.00000  109.43000
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    85    86    35.00000  117.00000
   81    85    92    70.00000  124.00000
   81   102    99    90.00000  108.56700
   81   102   103    45.00000  112.01100
   81   102    78    90.00000  108.56700
   85    81    82    35.00000  109.50000
   85    92    93    35.00000  120.00000
   85    92    99    80.00000  120.01400
   92    85    86    35.00000  120.00000
   92    99   102    85.00000  113.97000
   99    92    93    55.00000  109.52600
   99   102   103    35.00000  109.50000
   99   102    78    92.60000  111.55000
  102    81    82    45.00000  108.72000
  102    81    85    70.00000  112.02700
   78    62    63    35.00000  109.50000
   78    62    75    50.00000  109.50000
   78   102   103    35.00000  109.50000
   64    59    60    58.35000  112.70000
   64    59    62    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    42    50.00000  109.50000
   45    51    52    83.00000  123.40000
   45    51    55    81.00000  111.40000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   55    51    52    80.00000  120.40000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    83    58.35000  112.70000
   39    46    47    55.00000  108.50000
   41    39    40    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    41    35.00000  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
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   82    81   102    99   0.23400  1.0 3.0
   82    81   102   103   0.15000  1.0 3.0
   82    81   102    78   0.23400  1.0 3.0
   85    81  -102    99   0.61850  1.0 1.0
   85    81  -102    99  -0.22750 -1.0 2.0
   85    81  -102    99   0.15300  1.0 3.0
   85    81   102   103   0.15000  1.0 3.0
   85    81   102    78   0.61850  1.0 1.0
   85    81   102    78  -0.22750 -1.0 2.0
   85    81   102    78   0.15300  1.0 3.0
   85    92   -99   102  -2.26850  1.0 1.0
   85    92   -99   102   3.39050 -1.0 2.0
   86    85    92    93   7.00000 -1.0 2.0
   86    85    92    99   7.00000 -1.0 2.0
   92    99  -102    81  -0.46850  1.0 1.0
   92    99  -102    81   0.09300 -1.0 2.0
   92    99  -102    81  -0.12850  1.0 3.0
   92    99   102   103   0.08050  1.0 3.0
   92    99   102    78  -0.48150  1.0 1.0
   92    99   102    78   0.09250 -1.0 2.0
   92    99   102    78  -0.12850  1.0 3.0
   93    92    99   102   0.50000 -1.0 2.0
   99   102    78    62  -0.53350  1.0 1.0
   99   102    78    62  -0.78350 -1.0 2.0
   99   102    78    62   0.33750  1.0 3.0
  102    81    85    86   0.00000  1.0 1.0
  102    81   -85    92   0.09850  1.0 1.0
  102    81   -85    92   0.15250 -1.0 2.0
  102    81   -85    92  -0.50650  1.0 3.0
  103   102    78    62   0.37050  1.0 3.0
   78    62    75    76   0.23400  1.0 3.0
   78    62    75    77   0.23400  1.0 3.0
   78    62   -75    81   0.62750  1.0 1.0
   78    62   -75    81  -0.30950 -1.0 2.0
   78    62   -75    81   0.27300  1.0 3.0
   64    59    60    61   0.15000  1.0 3.0
   64    59    60    68   0.56750  1.0 1.0
   64    59    60    68  -0.07550 -1.0 2.0
   64    59    60    68   0.20000  1.0 3.0
   64    59    60    71   0.56750  1.0 1.0
   64    59    60    71  -0.07550 -1.0 2.0
   64    59    60    71   0.20000  1.0 3.0
   64    59    62    63   0.15000  1.0 3.0
   64    59    62    75   0.56750  1.0 1.0
   64    59    62    75  -0.07550 -1.0 2.0
   64    59    62    75   0.20000  1.0 3.0
   64    59    62    78   0.62750  1.0 1.0
   64    59    62    78  -0.30950 -1.0 2.0
   64    59    62    78   0.27300  1.0 3.0
   45    37    42    43   0.23400  1.0 3.0
   45    37    42    44   0.23400  1.0 3.0
   45    37    42    48   0.62750  1.0 1.0
   45    37    42    48  -0.30950 -1.0 2.0
   45    37    42    48   0.27300  1.0 3.0
   45    51    55    56   0.00000  1.0 1.0
   45    51    55    57   0.00000  1.0 1.0
   45    51    55    58   0.00000  1.0 1.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    57   0.00000  1.0 1.0
   52    51    55    58   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    45   0.62750  1.0 1.0
   39    33    37    45  -0.30950 -1.0 2.0
   39    33    37    45   0.27300  1.0 3.0
   39    33    83    53   0.56750  1.0 1.0
   39    33    83    53  -0.07550 -1.0 2.0
   39    33    83    53   0.20000  1.0 3.0
   39    33    83    79   0.56750  1.0 1.0
   39    33    83    79  -0.07550 -1.0 2.0
   39    33    83    79   0.20000  1.0 3.0
   39    33    83    87   0.56750  1.0 1.0
   39    33    83    87  -0.07550 -1.0 2.0
   39    33    83    87   0.20000  1.0 3.0
   40    39    46    47   0.19450  1.0 3.0
   41    39    46    47   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   94   104   100   101  10.50000 -1.0 2.0
   84    95    90    91  10.50000 -1.0 2.0
   81    86    85    92   1.10000 -1.0 2.0
   99    93    92    85   1.10000 -1.0 2.0
   45    55    51    52  10.50000 -1.0 2.0
END
