* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    203    333     609
    1     0 S   NP   _N1_     1    28.02392    93.91606   -20.42180
    2     1 S   H    _HN1     2     1.02957    93.85628     2.79540
    3     1 S   H    _H1_     3     1.02836    33.61825   118.23231
    4     1 S   H    _H2_     4     1.02776    83.64970  -105.24566
    5     1 S   CT   _CA1     5     1.50120   143.45510   135.45776
    6     5 S   HC   _HA1     6     1.09570   105.24972    49.13297
    7     5 S   CO3  _C1_     7     1.53830   112.31175   -71.13103
    8     7 S   O2Z  _O11     8     1.26359   114.99431   -44.40974
    9     7 S   O2Z  _O12     9     1.26226   114.94863   134.70937
   10     5 S   CT   _CB1    10     1.53094   107.42383   167.10463
   11    10 S   HC   HB11    11     1.09817   109.47265   -49.81443
   12    10 S   HC   HB12    12     1.09818   110.38797    66.79051
   13    10 S   CT   _CG1    13     1.52968   112.57221  -170.88180
   14    13 S   HC   HG11    14     1.09496   110.42670   -60.46456
   15    13 S   HC   HG12    15     1.09640   110.05049    58.54916
   16    13 S   C    _CD1    16     1.51818   112.30335   178.71351
   17    16 S   O    _OE1    17     1.22739   123.24009   -10.36988
   18    16 S   N    _N2_    18     1.38490   111.67465   170.28076
   19    18 S   H    _HN2    19     1.01580   118.90084     3.91687
   20    18 S   CT1  _CA2    20     1.45834   123.20316   176.92267
   21    20 S   HC   _HA2    21     1.09729   109.27889    15.43349
   22    20 S   C    _C2_    22     1.52919   106.98676  -101.40469
   23    22 S   O    _O2_    23     1.22956   123.08756   -24.55756
   24    20 S   CT   _CB2    32     1.53470   111.94489   138.74717
   25    24 S   HC   HB21    33     1.09443   109.12027    50.84913
   26    24 S   HC   HB22    34     1.09306   109.40046   170.10799
   27    22 S   N    _N3_    24     1.38496   112.46224   158.27083
   28    27 S   H    _HN3    25     1.01651   120.34186    -2.78537
   29    24 S   S    _SG2    35     1.82667   110.19297   -69.70131
   30    27 S   CT   _CA3    26     1.45349   122.60084   178.23797
   31    30 S   HC   HA31    27     1.09564   108.00882   -51.69132
   32    30 S   HC   HA32    28     1.09554   107.47434    64.71379
   33    29 S   CT   _C15    36     1.94042   106.16562  -179.15281
   34    30 S   CO3  _C3_    29     1.52908   114.20804  -173.68633
   35    34 S   O2Z  _O31    30     1.26349   116.03058     0.45542
   36    34 S   O2Z  _O32    31     1.26425   114.42431  -179.62154
   37    33 S   CT   _C16    37     1.54895   108.98054   -17.39251
   38    37 S   HC   _H4_    38     1.09253   111.18613    45.85340
   39    33 S   CT   _C14    68     1.67019   107.36650  -140.95303
   40    37 S   CO4  _C17    39     1.51580   116.57041   161.65236
   41    40 S   O    _O35    40     1.22815   122.39841   145.41725
   42    39 S   CT   _C23    69     1.56075   111.37386   168.46537
   43    42 S   HC   _H17    70     1.08914   112.47590   -48.33192
   44    42 S   HC   _H18    71     1.09207   113.10946  -164.47378
   45    42 S   HC   _H19    72     1.08527   114.09679    76.63619
   46    37 S   OH   _O38   104     1.42031   111.08400   -73.03926
   47    46 S   HO   _H16   105     0.97409   107.51001   174.34127
   48    40 S   OS   _O36    41     1.34888   115.57852   -42.69238
   49    48 S   CT   _C18    42     1.44501   121.17142    42.44724
   50    49 S   HC   _H5_    43     1.08535   105.24102    72.35584
   51    49 S   C5BC _C19    44     1.51227   108.35407  -178.03916
   52    33 S   CT   _C5_    52     1.62750   106.51066    98.51193
   53    51 S   C5BC _C20    45     1.42686   127.92759    35.61553
   54    53 S   HA   _H13    46     1.08099   127.35733     1.66130
   55    52 S   CT   _C6_    53     1.56086   110.58701    70.77692
   56    55 S   HC   _H9_    54     1.09832   109.40662   -71.07400
   57    55 S   HC   _H10    55     1.09553   110.76210   174.42019
   58    52 S   CT   _C4_   100     1.56531   112.48273   -47.69288
   59    58 S   HC   _H6_   101     1.09409   112.03150   -61.18660
   60    58 S   HC   _H7_   102     1.09521   111.45718   178.41773
   61    58 S   HC   _H8_   103     1.09292   113.17087    61.71470
   62    53 S   C5A  _C21    47     1.37434   106.69693  -178.54572
   63    62 S   HA   _H14    48     1.08027   133.82324  -179.63523
   64    55 S   CT   _C7_    56     1.52946   115.27561    50.59187
   65    64 S   HC   _H11    57     1.09327   110.11619    66.77981
   66    64 S   HC   _H12    58     1.09673   108.20580  -177.45917
   67    62 S   OA   _O37    49     1.35636   110.46783     0.80988
   68    64 S   CT   _C8_    59     1.52800   110.32431   -57.57807
   69    68 S   HC   _H3_    60     1.09893   104.67941   -54.14058
   70    51 S   C5A  _C22    50     1.38262   127.13834  -141.09673
   71    70 S   HA   _H15    51     1.08076   133.41199    -1.49397
   72    68 S   CT   _C9_    61     1.58121   118.03546  -170.48202
   73    72 S   CT   _C10    62     1.57894   101.85329  -158.92120
   74    72 S   CM   _C27    85     1.53481   108.79373    80.20558
   75    74 S   HC   _H31    86     1.09170   114.57637     3.53590
   76    72 S   CT   _C26    96     1.55145   109.83187   -36.60652
   77    76 S   HC   _H28    97     1.08942   113.49273   -47.88796
   78    76 S   HC   _H29    98     1.09031   113.34398  -168.27849
   79    76 S   HC   _H30    99     1.09740   111.13278    71.82259
   80    73 S   CO4  _C11    63     1.51440   117.45615  -108.34471
   81    80 S   O    _O33    64     1.22607   124.71655   -83.06330
   82    73 S   OH   _O40    83     1.41671   112.24222   127.47641
   83    82 S   HO   _H27    84     0.97506   107.30411    67.22453
   84    74 S   CM   _C28    87     1.34387   132.05945  -174.49950
   85    84 S   HC   _H32    88     1.08893   117.14330   177.99240
   86    80 S   CT   _C12    65     1.50169   112.17363    99.58427
   87    84 S   CO4  _C29    89     1.48214   128.08223    -2.90117
   88    87 S   O    _O41    90     1.21879   126.47220   -13.18385
   89    86 S   OS   _O34    66     1.42700   102.19319    -2.56621
   90    86 S   CT   _C24    75     1.52230   111.50631   115.29184
   91    90 S   HC   _H21    76     1.09507   110.81447  -167.98171
   92    90 S   HC   _H22    77     1.09517   111.40037    70.81838
   93    90 S   HC   _H23    78     1.09525   111.64326   -49.23717
   94    86 S   CT   _C25    79     1.52031   111.68862  -118.46295
   95    94 S   HC   _H24    80     1.09458   110.86610   174.09313
   96    94 S   HC   _H25    81     1.09535   111.19835    56.02492
   97    94 S   HC   _H26    82     1.09471   111.64721   -64.53058
   98    87 S   OS   _O42    91     1.36155   107.18769   167.32245
   99    73 S   CO   _C13    67     1.56982   107.44887     2.09966
  100    98 S   CT   _C30    92     1.43080   115.14201   179.45896
  101   100 S   HC   _H33    93     1.09328   108.10793  -179.96044
  102   100 S   HC   _H34    94     1.09426   110.28891    61.33862
  103   100 S   HC   _H35    95     1.09427   110.28979   -61.26624
  104    99 S   OH   _O39    73     1.42030   111.12892   147.46963
  105   104 S   HO   _H20    74     0.97288   106.93272  -164.83646
  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
  31   2   1   1  14   7  26   8   3  12   4   3   2   3   1   8
  17   6  10  14   6   4  12   6   5   4   2   1   1   4   2   9
   4   3   2  15   5   1   1  18  18  13   4   7   2   1   1  15
   6   5   1   5   3  11   6   2  11   8   3   2   1   4   2   1
   1   4   2   3   2   1   1   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    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    49    52    55    68    99    39    42    58    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    48    49    50    51    52    55    56    57    64    68    69    72    73    89    99    39    42    43    44    45   104    58    59    60    61    46    47  
   35    36  
   36  
    0  
   38    40    41    48    49    52    55    68    99    39    42    58    46    47  
   40    41    48    52    39    46    47  
   42    43    44    45   104   105    82    74    76    58    46    40    49    52    55    64    65    66    68    69    72    73    80    86    89    99  
   41    48    49    50    51    52    46    47  
   48    49    46  
   43    44    45   104    52    64    68    69    72    73    89    99  
   44    45    68    99  
   45    68    99  
   68    99  
   47    48    52  
    0  
   49    50    51    53    70    52    55    58  
   50    51    53    54    62    67    70    71    52    55    56    57    64    58    59    60    61  
   51    53    70    52    55    58  
   53    54    62    63    67    70    71    52    55    58  
   55    56    57    64    65    66    68    99    58    59    60    61    53    70  
   54    62    63    67    70    71  
   62    63    67    70  
   56    57    64    65    66    68    69    72    58    59    60    61  
   57    64    65    66    68    58  
   64    65    66    68    58  
   59    60    61    64  
   60    61  
   61  
    0  
   63    67    70    71  
   67    70  
   65    66    68    69    72    73    99    74    76  
   66    68    69    72  
   68    69    72  
   70    71  
   69    72    73    80    89    99   104    82    74    75    84    76    77    78    79  
   72    73    99    74    76  
   71  
    0  
   73    80    81    86    89    99   104    82    83    74    75    84    85    87    76    77    78    79  
   80    81    86    89    99   104   105    90    94    82    83    74    75    84    76    77    78    79  
   75    84    85    87    88    98    76    77    78    79    80    82    99  
   84    85    87    76  
   77    78    79    80    82    84    99  
   78    79  
   79  
    0  
   81    86    89    99   104    90    91    92    93    94    95    96    97    82    83  
   86    89    99    90    94    82  
   83    86    89    99   104  
   99  
   85    87    88    98   100  
   87    88    98  
   89    99   104    90    91    92    93    94    95    96    97  
   88    98   100   101   102   103  
   98   100  
   99   104   105    90    91    92    93    94    95    96    97  
   91    92    93    94    95    96    97    99  
   92    93    94  
   93    94  
   94  
   95    96    97    99  
   96    97  
   97  
    0  
  100   101   102   103  
  104   105  
  101   102   103  
  102   103  
  103  
    0  
  105  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   99   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
  100   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  104   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
  105   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    40   317.000  1.522
   37    46   320.000  1.410
   40    41   570.000  1.229
   40    48   214.000  1.327
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   285.000  1.502
   49    52   268.000  1.529
   51    53   469.000  1.424
   51    70   546.000  1.367
   53    54   367.000  1.080
   53    62   546.000  1.367
   62    63   367.000  1.080
   62    67   340.000  1.360
   67    70   340.000  1.360
   70    71   367.000  1.080
   52    55   268.000  1.529
   52    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    39   268.000  1.529
   72    73   268.000  1.529
   72    74   317.000  1.510
   72    76   268.000  1.529
   73    80   317.000  1.522
   73    99   250.000  1.527
   73    82   320.000  1.410
   80    81   570.000  1.229
   80    86   317.000  1.522
   86    89   320.000  1.410
   86    90   268.000  1.529
   86    94   268.000  1.529
   89    99   320.000  1.380
   99    39   250.000  1.527
   99   104   380.000  1.407
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
  104   105   553.000  0.945
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   82    83   553.000  0.945
   74    75   340.000  1.080
   74    84   549.000  1.340
   84    85   340.000  1.080
   84    87   320.000  1.462
   87    88   570.000  1.229
   87    98   214.000  1.327
   98   100   320.000  1.410
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   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    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    40    63.00000  111.10000
   33    37    46    50.00000  109.50000
   33    52    49    58.35000  112.70000
   33    52    55    58.35000  112.70000
   33    52    58    58.35000  112.70000
   33    39    68    58.35000  112.70000
   33    39    99    75.00000  109.43000
   33    39    42    58.35000  112.70000
   37    40    41    80.00000  120.40000
   37    40    48    81.00000  111.40000
   37    46    47    55.00000  108.50000
   40    37    38    35.00000  109.50000
   40    48    49    83.00000  116.90000
   48    40    41    83.00000  123.40000
   48    49    50    35.00000  109.50000
   48    49    51    85.00000  111.85700
   48    49    52    50.00000  109.50000
   49    51    53    60.00000  130.00000
   49    51    70    60.00000  130.00000
   49    52    55    58.35000  112.70000
   49    52    58    58.35000  112.70000
   51    49    50    35.00000  109.50000
   51    53    54    35.00000  127.50000
   51    53    62    70.00000  107.30000
   51    70    67    70.00000  110.60000
   51    70    71    35.00000  132.10000
   53    62    63    35.00000  132.10000
   53    62    67    70.00000  110.60000
   62    53    54    35.00000  125.70000
   62    67    70    70.00000  106.50000
   67    62    63    35.00000  113.40000
   67    70    71    35.00000  113.40000
   70    51    53    70.00000  107.30000
   52    33    37    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    49    51    70.00000  112.17500
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    64    58.35000  112.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    68    58.35000  112.70000
   57    55    56    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68    39    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    72    73    58.35000  112.70000
   68    72    74    70.00000  112.02700
   68    72    76    58.35000  112.70000
   68    39    99    75.00000  109.43000
   68    39    42    58.35000  112.70000
   72    68    69    37.50000  110.70000
   72    73    80    63.00000  111.10000
   72    73    99    75.00000  109.43000
   72    73    82    50.00000  109.50000
   72    74    75    35.00000  117.00000
   72    74    84    70.00000  124.00000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   73    80    81    80.00000  120.40000
   73    80    86    70.00000  116.00000
   73    99    89    90.00000  108.56700
   73    99    39    65.00000  112.71400
   73    99   104    90.00000  110.19100
   73    82    83    55.00000  108.50000
   80    86    89    90.00000  108.74100
   80    86    90    63.00000  111.10000
   80    86    94    63.00000  111.10000
   86    80    81    80.00000  120.40000
   86    89    99    60.00000  109.50000
   86    90    91    37.50000  110.70000
   86    90    92    37.50000  110.70000
   86    90    93    37.50000  110.70000
   86    94    95    37.50000  110.70000
   86    94    96    37.50000  110.70000
   86    94    97    37.50000  110.70000
   89    99    39    90.00000  108.56700
   89    99   104   110.00000  112.08000
   99    73    80    63.00000  111.10000
   99    39    42    75.00000  109.43000
   99   104   105    70.00000  107.92000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   39    68    69    37.50000  110.70000
   39    68    72    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
  104    99    39    90.00000  110.19100
   90    86    89    50.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   94    86    89    50.00000  109.50000
   94    86    90    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   82    73    80    90.00000  109.61100
   82    73    99    90.00000  111.58700
   74    72    73    70.00000  112.02700
   74    84    85    35.00000  120.00000
   74    84    87    65.00000  118.96000
   84    74    75    35.00000  120.00000
   84    87    88    80.00000  123.72100
   84    87    98    90.00000  111.29400
   87    84    85    40.00000  117.72500
   87    98   100    83.00000  116.90000
   98    87    88    83.00000  123.40000
   98   100   101    35.00000  109.50000
   98   100   102    35.00000  109.50000
   98   100   103    35.00000  109.50000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   76    72    73    58.35000  112.70000
   76    72    74    70.00000  112.02700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   58    52    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   46    37    38    35.00000  109.50000
   46    37    40    90.00000  109.61100
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
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   39    33    52    49  -0.07550 -1.0 2.0
   39    33    52    49   0.20000  1.0 3.0
   39    33   -52    55   0.56750  1.0 1.0
   39    33   -52    55  -0.07550 -1.0 2.0
   39    33   -52    55   0.20000  1.0 3.0
   39    33    52    58   0.56750  1.0 1.0
   39    33    52    58  -0.07550 -1.0 2.0
   39    33    52    58   0.20000  1.0 3.0
   39    68   -72    73   0.56750  1.0 1.0
   39    68   -72    73  -0.07550 -1.0 2.0
   39    68   -72    73   0.20000  1.0 3.0
   39    68    72    74   0.34400  1.0 1.0
   39    68    72    74   0.09450 -1.0 2.0
   39    68    72    74   0.11100  1.0 3.0
   39    68    72    76   0.56750  1.0 1.0
   39    68    72    76  -0.07550 -1.0 2.0
   39    68    72    76   0.20000  1.0 3.0
   39    99   104   105  -0.11600  1.0 1.0
   39    99   104   105  -0.09450 -1.0 2.0
   39    99   104   105   0.21250  1.0 3.0
  104    99    39    33   0.86500  1.0 1.0
  104    99    39    33  -0.17500 -1.0 2.0
  104    99    39    33   0.20800  1.0 3.0
  104    99    39    68   0.86500  1.0 1.0
  104    99    39    68  -0.17500 -1.0 2.0
  104    99    39    68   0.20800  1.0 3.0
  104    99    39    42   0.86500  1.0 1.0
  104    99    39    42  -0.17500 -1.0 2.0
  104    99    39    42   0.20800  1.0 3.0
   90    86    89    99   0.06250  1.0 1.0
   90    86    89    99  -0.01100 -1.0 2.0
   90    86    89    99   0.28050  1.0 3.0
   90    86    94    95   0.15000  1.0 3.0
   90    86    94    96   0.15000  1.0 3.0
   90    86    94    97   0.15000  1.0 3.0
   94    86    89    99   0.06250  1.0 1.0
   94    86    89    99  -0.01100 -1.0 2.0
   94    86    89    99   0.28050  1.0 3.0
   94    86    90    91   0.15000  1.0 3.0
   94    86    90    92   0.15000  1.0 3.0
   94    86    90    93   0.15000  1.0 3.0
   82    73    80    81   0.30150 -1.0 2.0
   82    73    80    86   0.55300  1.0 1.0
   82    73    80    86   1.25850 -1.0 2.0
   82    73    80    86  -0.23600  1.0 3.0
   82    73    99    89   3.69350  1.0 1.0
   82    73    99    89  -1.82950 -1.0 2.0
   82    73    99    39   0.86500  1.0 1.0
   82    73    99    39  -0.17500 -1.0 2.0
   82    73    99    39   0.20800  1.0 3.0
   82    73    99   104   3.75450  1.0 1.0
   74    72    73    80  -0.98800  1.0 1.0
   74    72    73    80   0.48800 -1.0 2.0
   74    72    73    80   0.76800  1.0 3.0
   74    72    73    99   0.34400  1.0 1.0
   74    72    73    99   0.09450 -1.0 2.0
   74    72    73    99   0.11100  1.0 3.0
   74    72    73    82   1.05650  1.0 1.0
   74    72    73    82   0.15600 -1.0 2.0
   74    72    73    82   0.53150  1.0 3.0
   74    72    76    77   0.15000  1.0 3.0
   74    72    76    78   0.15000  1.0 3.0
   74    72    76    79   0.15000  1.0 3.0
   74    84    87    88   1.00000 -1.0 2.0
   74    84    87    98  -0.56150  1.0 1.0
   74    84    87    98   2.19150 -1.0 2.0
   75    74    84    85   7.00000 -1.0 2.0
   75    74    84    87   7.00000 -1.0 2.0
   84    87    98   100   2.00000 -1.0 2.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    98   1.63100 -1.0 2.0
   87    98   100   101   0.08050  1.0 3.0
   87    98   100   102   0.08050  1.0 3.0
   87    98   100   103   0.08050  1.0 3.0
   88    87    98   100   3.00000 -1.0 2.0
   76    72    73    80  -0.95700  1.0 1.0
   76    72    73    80  -0.18200 -1.0 2.0
   76    72    73    80   0.29450  1.0 3.0
   76    72    73    99   3.97050  1.0 1.0
   76    72    73    82   0.86500  1.0 1.0
   76    72    73    82  -0.17500 -1.0 2.0
   76    72    73    82   0.20800  1.0 3.0
   76    72    74    75   0.00000  1.0 1.0
   76    72    74    84   0.09850  1.0 1.0
   76    72    74    84   0.15250 -1.0 2.0
   76    72    74    84  -0.50650  1.0 3.0
   58    52    55    56   0.15000  1.0 3.0
   58    52    55    57   0.15000  1.0 3.0
   58    52    55    64   0.56750  1.0 1.0
   58    52    55    64  -0.07550 -1.0 2.0
   58    52    55    64   0.20000  1.0 3.0
   46    37    40    41   0.30150 -1.0 2.0
   46    37    40    48   0.30750  1.0 1.0
   46    37    40    48   1.13850 -1.0 2.0
   46    37    40    48   0.38850  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
   37    48    40    41  10.50000 -1.0 2.0
   53    70    51    49   4.00000 -1.0 2.0
   62    54    53    51   1.10000 -1.0 2.0
   67    63    62    53   1.10000 -1.0 2.0
   67    71    70    51   1.10000 -1.0 2.0
   73    86    80    81  10.50000 -1.0 2.0
   72    75    74    84  15.00000 -1.0 2.0
   87    85    84    74  15.00000 -1.0 2.0
   84    98    87    88  10.50000 -1.0 2.0
END
