* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    217    348     653
    1     0 S   NP   _N1_     1    28.21889    94.37623   -25.24530
    2     1 S   H    _HN1     2     1.02776   108.74793  -106.87601
    3     1 S   H    _H1_     3     1.02957    89.20008     2.24437
    4     1 S   H    _H2_     4     1.02835    19.00027   162.49884
    5     1 S   CT   _CA1     5     1.50125   124.86806   116.75787
    6     5 S   HC   _HA1     6     1.09574   105.22172    73.60873
    7     5 S   CO3  _C1_     7     1.53792   112.37021   -46.59471
    8     7 S   O2Z  _O11     8     1.26365   114.99773   -43.81497
    9     7 S   O2Z  _O12     9     1.26237   114.93409   135.31348
   10     5 S   CT   _CB1    10     1.53099   107.42527  -168.47116
   11    10 S   HC   HB11    11     1.09826   109.35167   -50.50017
   12    10 S   HC   HB12    12     1.09817   110.41919    66.06424
   13    10 S   CT   _CG1    13     1.53009   112.65587  -171.57335
   14    13 S   HC   HG11    14     1.09596   110.47884   -64.03318
   15    13 S   HC   HG12    15     1.09656   109.93145    55.16157
   16    13 S   C    _CD1    16     1.51836   112.33988   175.54491
   17    16 S   O    _OE1    17     1.22743   123.30025    -0.32385
   18    16 S   N    _N2_    18     1.38539   111.66983   179.62885
   19    18 S   H    _HN2    19     1.01560   119.01647     4.71326
   20    18 S   CT1  _CA2    20     1.45894   122.97532   178.15241
   21    20 S   HC   _HA2    21     1.09716   109.01377    22.47746
   22    20 S   C    _C2_    22     1.52870   106.71667   -94.72453
   23    22 S   O    _O2_    23     1.23003   122.90996   -29.99943
   24    20 S   CT   _CB2    32     1.53327   112.05718   145.68123
   25    24 S   HC   HB21    33     1.09320   109.48885    55.20795
   26    24 S   HC   HB22    34     1.09481   109.69547   173.78192
   27    22 S   N    _N3_    24     1.38468   112.70068   152.65855
   28    27 S   H    _HN3    25     1.01659   120.40849    -1.35017
   29    24 S   S    _SG2    35     1.83100   110.40420   -66.57217
   30    27 S   CT   _CA3    26     1.45364   122.38329   178.75133
   31    30 S   HC   HA31    27     1.09568   107.53923   -61.80722
   32    30 S   HC   HA32    28     1.09571   107.85147    54.48704
   33    29 S   CT   _C19    36     1.89776   103.16699   167.52092
   34    30 S   CO3  _C3_    29     1.52878   114.43976   176.45558
   35    34 S   O2Z  _O31    30     1.26319   116.10473    -0.78584
   36    34 S   O2Z  _O32    31     1.26456   114.38686   179.28018
   37    33 S   CM   _C24    37     1.52124   105.87591    49.84499
   38    37 S   HC   _H28    38     1.09068   116.06527   -81.68886
   39    33 S   CT   _C18    55     1.54656   106.64933   -69.28918
   40    39 S   HC   _H22    56     1.09591   111.38084    62.05591
   41    39 S   HC   _H23    57     1.09787   110.35243   -55.38130
   42    37 S   CMA  _C23    39     1.35021   126.49137    98.70601
   43    42 S   OM   _O35    40     1.26198   129.26880   179.35320
   44    42 S   CT   _C22    41     1.52507   119.55744    -0.02798
   45    44 S   HC   _H26    42     1.10000   108.93085   115.43403
   46    44 S   HC   _H27    43     1.10006   110.40351  -128.41576
   47    44 S   CT   _C21    44     1.53488   115.65576    -6.45525
   48    47 S   HC   _H24    45     1.09664   108.98979   161.58985
   49    47 S   HC   _H25    46     1.09768   108.30046   -85.23404
   50    33 S   CT   _C20    47     1.59522   112.16017   170.41360
   51    50 S   CT   _C15    48     1.60037   109.50572   172.08116
   52    51 S   HC   _H5_    49     1.09880   106.59421    59.31078
   53    50 S   CT   _C25   107     1.55330   111.67084    49.06246
   54    53 S   HC   _H29   108     1.09294   112.41444    68.27407
   55    53 S   HC   _H30   109     1.09333   112.70692   -53.12981
   56    53 S   HC   _H31   110     1.09276   111.82112  -169.95848
   57    51 S   CT   _C16    50     1.55807   112.53794   -54.57847
   58    57 S   HC   _H6_    51     1.09443   109.90412   -64.91477
   59    51 S   CT   _C14    71     1.56059   116.42247   174.04257
   60    59 S   HC   _H4_    72     1.09528   108.91203   -59.85688
   61    57 S   CT   _C17    52     1.53316   110.69106    54.09582
   62    61 S   HC   _H20    53     1.09679   109.70537  -174.57444
   63    61 S   HC   _H21    54     1.09742   110.13430    68.81045
   64    57 S   CT   _C11    58     1.53944   108.84072   174.84554
   65    64 S   HC   _H3_    59     1.10274   105.88804   -59.46369
   66    59 S   OH   _O36    73     1.41941   112.01303    57.75975
   67    66 S   HO   _H32    74     0.97223   107.79740  -174.39031
   68    64 S   CT   _C10    60     1.52208   118.41829  -177.96222
   69    68 S   HC   _H16    61     1.09491   112.09012    75.94418
   70    68 S   HC   _H17    62     1.09581   111.53425   -44.69523
   71    68 S   CT   _C9_    63     1.54029   104.22164  -163.94576
   72    71 S   HC   _H14    64     1.09507   108.63348   132.26844
   73    71 S   HC   _H15    65     1.09484   108.99194  -111.33743
   74    71 S   CT   _C8_    66     1.56215   107.08682    10.09637
   75    64 S   CT   _C12    67     1.54664   114.35111    59.65219
   76    74 S   CO4  _C27    79     1.54590   113.49680   141.73678
   77    76 S   O    _O37    80     1.23274   121.65450    -6.47490
   78    74 S   OS   _O34    94     1.45033   109.03425   -95.70762
   79    75 S   CT   _C13    68     1.54646   106.66964   -60.47416
   80    79 S   HC   _H18    69     1.09683   110.15034   -65.34767
   81    79 S   HC   _H19    70     1.09498   109.80264   177.44794
   82    75 S   CT   _C26    75     1.55351   112.87908    61.58756
   83    82 S   HC   _H33    76     1.09497   112.52116    70.27161
   84    82 S   HC   _H34    77     1.09152   113.21961   -49.88005
   85    82 S   HC   _H35    78     1.09553   110.75850  -170.19659
   86    76 S   CT   _C28    81     1.52038   117.52554   174.50253
   87    86 S   HC   _H36    82     1.09323   108.72328    84.15279
   88    86 S   HC   _H37    83     1.09323   110.10226   -37.55673
   89    78 S   CO4  _C7_    95     1.36420   120.49177   -69.33600
   90    89 S   O    _O33    96     1.22284   126.11831     2.05033
   91    86 S   OS   _O38    84     1.42969   108.31023  -157.27709
   92    89 S   CT   _C6_    97     1.51097   109.27009  -178.50918
   93    92 S   HC   _H12    98     1.09538   107.38197   -92.04592
   94    92 S   HC   _H13    99     1.09629   109.57608    24.95113
   95    91 S   CO4  _C29    85     1.36506   115.28050   174.36195
   96    95 S   O    _O39    86     1.22317   125.69458     0.78110
   97    92 S   CT   _C5_   100     1.52689   112.42649   146.74680
   98    97 S   HC   _H10   101     1.09612   110.48755    54.35428
   99    97 S   HC   _H11   102     1.09628   108.73312   171.49282
  100    95 S   CT   _C30    87     1.51015   108.97102  -179.21242
  101   100 S   HC   _H38    88     1.09506   108.45557   -60.38335
  102   100 S   HC   _H39    89     1.09519   108.44846    58.03340
  103    97 S   CT   _C4_   103     1.52289   112.57136   -68.10232
  104   103 S   HC   _H7_   104     1.09468   111.01837   -57.51372
  105   103 S   HC   _H8_   105     1.09428   111.46722    63.31248
  106   103 S   HC   _H9_   106     1.09462   110.10704  -177.08698
  107   100 S   CT   _C31    90     1.51858   112.07882   178.74228
  108   107 S   HC   _H40    91     1.09511   111.03579   -59.81247
  109   107 S   HC   _H41    92     1.09509   111.04837    60.11152
  110   107 S   HC   _H42    93     1.09431   110.39209  -179.85196
  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  12   5   4   3
  23   2   1   1  14   5  13   6   5   8   4   8   5   4  11   4
   3  14  21   9   5   2   1   1  17   8  11   6   6   2   1  18
   8   5   1  11   6   5  11   5   4  18  12  10   5   9   6   2
   1   3   2   1   1   6   3   2   8   4   6   9   5   4   8   4
   6   5   4   6   5   4   3   2   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    61    39    40    41    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    57    61    62    63    39    40    41    59    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    61    39    40    41    53  
   42    43    44    50    39  
   40    41    64    53    42    47    50    51    57    58    61    62    63  
   41    50    57    61    62    63  
   50    57    61    62    63  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    57    59    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    61    64    79    59    60    66    53    54    55    56  
   52    57    58    61    62    63    64    65    68    75    79    80    81    59    60    66    67    53    54    55    56  
   57    58    61    64    79    59    60    66    53  
   54    55    56    57    59  
   55    56  
   56  
    0  
   58    61    62    63    64    65    68    69    70    71    74    75    79    59    60    66    82  
   61    62    63    64    65    68    75    59  
   60    66    67    82    61    64    74    75    79    80    81  
   66    67    75    79    80    81  
   62    63    64    65    68    75  
   63    64  
   64  
   65    68    69    70    71    72    73    74    75    79    80    81    82    83    84    85    76    78  
   68    69    70    71    74    75    79    82  
   67    75    79    80    81  
   79  
   69    70    71    72    73    74    75    79    82    76    78  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72    73    74    75    79    82    76    77    86    78    89  
   73    74    75    76    78  
   74    75    76    78  
   75    79    80    81    82    83    84    85    76    77    86    87    88    91    78    89    90    92  
   79    80    81    82    83    84    85    76    77    86    78    89  
   77    86    87    88    91    95    78    89    79    82  
   86    87    88    91    78  
   89    90    92    93    94    97    79    82    86  
   80    81    82    83    84    85  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
   87    88    91    95    96   100  
   88    91    95  
   91    95  
   90    92    93    94    97    98    99   103  
   92    93    94    97  
   95    96   100   101   102   107  
   93    94    97    98    99   103   104   105   106  
   94    97    98    99   103  
   97    98    99   103  
   96   100   101   102   107   108   109   110  
  100   101   102   107  
   98    99   103   104   105   106  
   99   103   104   105   106  
  103   104   105   106  
  101   102   107   108   109   110  
  102   107   108   109   110  
  107   108   109   110  
  104   105   106  
  105   106  
  106  
    0  
  108   109   110  
  109   110  
  110  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.120000   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   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.7500   0.1050   0.374000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   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    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   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    59   268.000  1.529
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    75   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   268.000  1.529
   74    76   317.000  1.522
   74    78   320.000  1.410
   75    79   268.000  1.529
   75    82   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    59   268.000  1.529
   59    60   340.000  1.090
   59    66   320.000  1.410
   66    67   553.000  0.945
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   76    77   570.000  1.229
   76    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    91   320.000  1.410
   91    95   214.000  1.327
   95    96   570.000  1.229
   95   100   317.000  1.522
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   107   268.000  1.529
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   78    89   214.000  1.327
   89    90   570.000  1.229
   89    92   317.000  1.522
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    61    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    59    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    61    58.35000  112.70000
   51    57    64    58.35000  112.70000
   51    59    79    58.35000  112.70000
   51    59    60    37.50000  110.70000
   51    59    66    50.00000  109.50000
   57    51    52    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    39    58.35000  112.70000
   57    64    65    37.50000  110.70000
   57    64    68    58.35000  112.70000
   57    64    75    58.35000  112.70000
   61    57    58    37.50000  110.70000
   61    39    40    37.50000  110.70000
   61    39    41    37.50000  110.70000
   63    61    62    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    61    62    37.50000  110.70000
   39    61    63    37.50000  110.70000
   41    39    40    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    61    58.35000  112.70000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    58.35000  112.70000
   64    75    74    58.35000  112.70000
   64    75    79    58.35000  112.70000
   64    75    82    58.35000  112.70000
   68    64    65    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    74    75    58.35000  112.70000
   71    74    76    63.00000  111.10000
   71    74    78    50.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    75    79    58.35000  112.70000
   74    75    82    58.35000  112.70000
   74    76    77    80.00000  120.40000
   74    76    86    70.00000  116.00000
   74    78    89    83.00000  116.90000
   75    64    65    37.50000  110.70000
   75    64    68    58.35000  112.70000
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    59    58.35000  112.70000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    85    37.50000  110.70000
   79    59    60    37.50000  110.70000
   79    59    66    50.00000  109.50000
   81    79    80    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    57    58.35000  112.70000
   59    79    80    37.50000  110.70000
   59    79    81    37.50000  110.70000
   59    66    67    55.00000  108.50000
   66    59    60    35.00000  109.50000
   82    75    79    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   76    74    75    63.00000  111.10000
   76    86    87    35.00000  109.50000
   76    86    88    35.00000  109.50000
   76    86    91    90.00000  108.74100
   86    76    77    80.00000  120.40000
   86    91    95    83.00000  116.90000
   88    86    87    33.00000  107.80000
   91    86    87    35.00000  109.50000
   91    86    88    35.00000  109.50000
   91    95    96    83.00000  123.40000
   91    95   100    81.00000  111.40000
   95   100   101    35.00000  109.50000
   95   100   102    35.00000  109.50000
   95   100   107    63.00000  111.10000
  100    95    96    80.00000  120.40000
  100   107   108    37.50000  110.70000
  100   107   109    37.50000  110.70000
  100   107   110    37.50000  110.70000
  102   100   101    33.00000  107.80000
  107   100   101    37.50000  110.70000
  107   100   102    37.50000  110.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   78    74    75    50.00000  109.50000
   78    74    76    90.00000  108.74100
   78    89    90    83.00000  123.40000
   78    89    92    81.00000  111.40000
   89    92    93    35.00000  109.50000
   89    92    94    35.00000  109.50000
   89    92    97    63.00000  111.10000
   92    89    90    80.00000  120.40000
   92    97    98    37.50000  110.70000
   92    97    99    37.50000  110.70000
   92    97   103    58.35000  112.70000
   94    92    93    33.00000  107.80000
   97    92    93    37.50000  110.70000
   97    92    94    37.50000  110.70000
   97   103   104    37.50000  110.70000
   97   103   105    37.50000  110.70000
   97   103   106    37.50000  110.70000
   99    97    98    33.00000  107.80000
  103    97    98    37.50000  110.70000
  103    97    99    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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
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   75    79   -59    51   0.56750  1.0 1.0
   75    79   -59    51  -0.07550 -1.0 2.0
   75    79   -59    51   0.20000  1.0 3.0
   75    79    59    60   0.15000  1.0 3.0
   75    79    59    66   0.86500  1.0 1.0
   75    79    59    66  -0.17500 -1.0 2.0
   75    79    59    66   0.20800  1.0 3.0
   79    75    82    83   0.15000  1.0 3.0
   79    75    82    84   0.15000  1.0 3.0
   79    75    82    85   0.15000  1.0 3.0
   79    59    66    67  -0.11600  1.0 1.0
   79    59    66    67  -0.09450 -1.0 2.0
   79    59    66    67   0.21250  1.0 3.0
   80    79    59    51   0.15000  1.0 3.0
   80    79    59    60   0.15000  1.0 3.0
   80    79    59    66   0.23400  1.0 3.0
   81    79    59    51   0.15000  1.0 3.0
   81    79    59    60   0.15000  1.0 3.0
   81    79    59    66   0.23400  1.0 3.0
   59    51    57    58   0.15000  1.0 3.0
   59    51    57    61   0.56750  1.0 1.0
   59    51    57    61  -0.07550 -1.0 2.0
   59    51    57    61   0.20000  1.0 3.0
   59    51   -57    64   0.56750  1.0 1.0
   59    51   -57    64  -0.07550 -1.0 2.0
   59    51   -57    64   0.20000  1.0 3.0
   60    59    66    67   0.19450  1.0 3.0
   82    75    79    80   0.15000  1.0 3.0
   82    75    79    81   0.15000  1.0 3.0
   82    75    79    59   0.56750  1.0 1.0
   82    75    79    59  -0.07550 -1.0 2.0
   82    75    79    59   0.20000  1.0 3.0
   76    74    75    64  -0.95700  1.0 1.0
   76    74    75    64  -0.18200 -1.0 2.0
   76    74    75    64   0.29450  1.0 3.0
   76    74    75    79  -0.95700  1.0 1.0
   76    74    75    79  -0.18200 -1.0 2.0
   76    74    75    79   0.29450  1.0 3.0
   76    74    75    82  -0.95700  1.0 1.0
   76    74    75    82  -0.18200 -1.0 2.0
   76    74    75    82   0.29450  1.0 3.0
   76    74    78    89  -1.80650  1.0 1.0
   76    74    78    89   0.63900 -1.0 2.0
   76    74    78    89   0.03650  1.0 3.0
   76    86    91    95  -1.80650  1.0 1.0
   76    86    91    95   0.63900 -1.0 2.0
   76    86    91    95   0.03650  1.0 3.0
   77    76    86    87   0.00000  1.0 1.0
   77    76    86    88   0.00000  1.0 1.0
   77    76    86    91   0.30150 -1.0 2.0
   86    91    95    96   3.00000 -1.0 2.0
   86    91    95   100   1.63150  1.0 1.0
   86    91    95   100   2.92000 -1.0 2.0
   87    86    91    95   0.08050  1.0 3.0
   88    86    91    95   0.08050  1.0 3.0
   91    95   100   101   0.00000  1.0 1.0
   91    95   100   102   0.00000  1.0 1.0
   91    95   100   107   0.36750  1.0 3.0
   95   100   107   108  -0.11250  1.0 3.0
   95   100   107   109  -0.11250  1.0 3.0
   95   100   107   110  -0.11250  1.0 3.0
   96    95   100   101   0.00000  1.0 1.0
   96    95   100   102   0.00000  1.0 1.0
   96    95   100   107   0.30150 -1.0 2.0
  101   100   107   108   0.15000  1.0 3.0
  101   100   107   109   0.15000  1.0 3.0
  101   100   107   110   0.15000  1.0 3.0
  102   100   107   108   0.15000  1.0 3.0
  102   100   107   109   0.15000  1.0 3.0
  102   100   107   110   0.15000  1.0 3.0
   78    74    75    64   0.62750  1.0 1.0
   78    74    75    64  -0.30950 -1.0 2.0
   78    74    75    64   0.27300  1.0 3.0
   78    74    75    79   0.62750  1.0 1.0
   78    74    75    79  -0.30950 -1.0 2.0
   78    74    75    79   0.27300  1.0 3.0
   78    74    75    82   0.62750  1.0 1.0
   78    74    75    82  -0.30950 -1.0 2.0
   78    74    75    82   0.27300  1.0 3.0
   78    74    76    77   0.30150 -1.0 2.0
   78    74    76    86   0.55300  1.0 1.0
   78    74    76    86   1.25850 -1.0 2.0
   78    74    76    86  -0.23600  1.0 3.0
   78    89    92    93   0.00000  1.0 1.0
   78    89    92    94   0.00000  1.0 1.0
   78    89    92    97   0.36750  1.0 3.0
   89    92    97    98  -0.11250  1.0 3.0
   89    92    97    99  -0.11250  1.0 3.0
   89    92    97   103  -0.95700  1.0 1.0
   89    92    97   103  -0.18200 -1.0 2.0
   89    92    97   103   0.29450  1.0 3.0
   90    89    92    93   0.00000  1.0 1.0
   90    89    92    94   0.00000  1.0 1.0
   90    89    92    97   0.30150 -1.0 2.0
   92    97   103   104   0.15000  1.0 3.0
   92    97   103   105   0.15000  1.0 3.0
   92    97   103   106   0.15000  1.0 3.0
   93    92    97    98   0.15000  1.0 3.0
   93    92    97    99   0.15000  1.0 3.0
   93    92    97   103   0.15000  1.0 3.0
   94    92    97    98   0.15000  1.0 3.0
   94    92    97    99   0.15000  1.0 3.0
   94    92    97   103   0.15000  1.0 3.0
   98    97   103   104   0.15000  1.0 3.0
   98    97   103   105   0.15000  1.0 3.0
   98    97   103   106   0.15000  1.0 3.0
   99    97   103   104   0.15000  1.0 3.0
   99    97   103   105   0.15000  1.0 3.0
   99    97   103   106   0.15000  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    59   0.56750  1.0 1.0
   53    50    51    59  -0.07550 -1.0 2.0
   53    50    51    59   0.20000  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
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   74    86    76    77  10.50000 -1.0 2.0
   91   100    95    96  10.50000 -1.0 2.0
   78    92    89    90  10.50000 -1.0 2.0
END
