* LIGAND DATABASE FILE (OPLS2005)
*
001     103   108    204    336     610
    1     0 S   NP   _N1_     1    28.62319    94.32769   -24.98606
    2     1 S   H    _HN1     2     1.02786   112.94181   -88.12585
    3     1 S   H    _H1_     3     1.02949    79.72085    17.59409
    4     1 S   H    _H2_     4     1.02828    27.83554  -173.12422
    5     1 S   CT   _CA1     5     1.50110   127.02523   125.47367
    6     5 S   HC   _HA1     6     1.09572   105.19843    85.23519
    7     5 S   CO3  _C1_     7     1.53791   112.47478   -35.01045
    8     7 S   O2Z  _O11     8     1.26372   115.00859   -42.35797
    9     7 S   O2Z  _O12     9     1.26241   114.94964   136.79915
   10     5 S   CT   _CB1    10     1.53081   107.42331  -156.77027
   11    10 S   HC   HB11    11     1.09832   109.38414   -49.67340
   12    10 S   HC   HB12    12     1.09813   110.44140    66.93998
   13    10 S   CT   _CG1    13     1.52986   112.59851  -170.65042
   14    13 S   HC   HG11    14     1.09582   110.62632   -65.45857
   15    13 S   HC   HG12    15     1.09670   109.78902    53.77042
   16    13 S   C    _CD1    16     1.51797   112.24354   174.23466
   17    16 S   O    _OE1    17     1.22727   123.29104     6.61192
   18    16 S   N    _N2_    18     1.38658   111.65473  -173.46295
   19    18 S   H    _HN2    19     1.01574   118.91328     1.96722
   20    18 S   CT1  _CA2    20     1.46200   123.40599   177.63206
   21    20 S   HC   _HA2    21     1.09734   109.38278     3.38379
   22    20 S   C    _C2_    22     1.53563   108.57237  -112.13531
   23    22 S   O    _O2_    23     1.23062   122.28500  -147.28726
   24    20 S   CT   _CB2    32     1.53336   111.57985   125.43476
   25    24 S   HC   HB21    33     1.09586   110.09459    56.18042
   26    24 S   HC   HB22    34     1.09449   109.94622   175.23613
   27    22 S   N    _N3_    24     1.38332   113.71219    40.09932
   28    27 S   H    _HN3    25     1.01581   119.59494    -3.18561
   29    24 S   S    _SG2    35     1.82723   111.54779   -64.80347
   30    27 S   CT   _CA3    26     1.45286   123.21251   177.18436
   31    30 S   HC   HA31    27     1.09549   107.49772   -64.87064
   32    30 S   HC   HA32    28     1.09557   107.99904    51.56856
   33    29 S   CT   _C16    36     1.84568    99.76207   171.61885
   34    33 S   HC   _H9_    37     1.09814   104.57197   -55.57769
   35    30 S   CO3  _C3_    29     1.52962   114.08390   173.57288
   36    35 S   O2Z  _O31    30     1.26375   116.07454    -0.80818
   37    35 S   O2Z  _O32    31     1.26429   114.40991   179.25506
   38    33 S   CT   _C15    38     1.55527   114.49187    61.75665
   39    38 S   HC   _H8_    39     1.09625   104.94458   -78.20061
   40    38 S   CT   _C11    40     1.58277   114.20813   161.68141
   41    38 S   OH   _O39   102     1.42832   110.37571    36.25836
   42    41 S   HO   _H24   103     0.97134   108.19533  -169.16004
   43    40 S   CM   _C12    41     1.55397   114.04797   142.85838
   44    40 S   CT   _C10    54     1.57210   107.27386    24.21045
   45    44 S   HC   _H7_    55     1.10053   107.02240    62.97105
   46    40 S   CT   _C21    98     1.55967   110.80519  -101.54561
   47    46 S   HC   _H25    99     1.08757   113.60982    55.66315
   48    46 S   HC   _H26   100     1.09763   111.18216   -64.49503
   49    46 S   HC   _H27   101     1.09470   113.05266   177.09485
   50    43 S   CM   _C13    42     1.34502   124.85884    19.37730
   51    50 S   HC   _H19    43     1.08176   123.94006    -4.47177
   52    44 S   CT   _C18    56     1.54406   114.83123   -60.10335
   53    50 S   CO4  _C14    44     1.47749   120.46856   174.18139
   54    53 S   O    _O34    45     1.22633   120.36541   164.90674
   55    52 S   CO4  _C19    57     1.52056   100.83219   -91.06566
   56    55 S   O    _O36    58     1.22156   125.88354   162.98982
   57    33 S   CT   _C17    60     1.54051   109.99867  -169.38109
   58    57 S   HC   _H10    61     1.09784   109.24976    48.40583
   59    52 S   CT   _C20    64     1.54580   110.57172   155.80071
   60    59 S   HC   _H20    65     1.09532   111.20472   -62.72810
   61    59 S   HC   _H21    66     1.09665   110.70536   177.28279
   62    59 S   HC   _H22    67     1.09480   112.74951    58.49590
   63    53 S   OS   _O35    46     1.35875   117.41697   -16.46809
   64    79 S   OS   _O37    59     1.43441   112.38651  -120.44693
   65    57 S   OH   _O38    62     1.42175   109.95935   -67.24919
   66    65 S   HO   _H23    63     0.97348   107.78548   173.06409
   67    63 S   CT   _C6_    47     1.45747   121.94831    -4.32979
   68    67 S   HC   _H4_    48     1.09895   106.76763   -78.49733
   69    43 S   C3T  _C7_    49     1.48527   116.53892  -165.68507
   70    67 S   CT   _C5_    69     1.54428   108.31487   165.81450
   71    70 S   HC   _H3_    70     1.09604   109.57429  -176.71634
   72    69 S   C3T  _C8_    50     1.51970   118.16681    12.21642
   73    72 S   HC   _H5_    51     1.07989   121.08837  -143.31206
   74    70 S   CT   _C4_    71     1.53069   110.44279    63.71625
   75    74 S   HC   _H16    72     1.09540   111.33581   -65.03709
   76    74 S   HC   _H17    73     1.09422   110.96074   176.65327
   77    74 S   HC   _H18    74     1.09441   111.21712    56.51244
   78    70 S   OS1  _O40    75     1.43297   109.24988   -54.74865
   79    72 S   CT   _C9_    52     1.48899   122.01190    14.76604
   80    79 S   HC   _H6_    53     1.09688   107.59487   122.26143
   81    69 S   O3T  _O33    68     1.43433   121.82521    80.31446
   82    78 S   CO1  _C22    76     1.43369   113.96322  -139.45901
   83    82 S   HC   _H11    77     1.09812   108.22666    54.35560
   84    82 S   CT   _C23    78     1.53435   107.30578   173.05821
   85    84 S   HC   _H12    79     1.09679   109.94865    53.76117
   86    84 S   CT   _C24    80     1.53084   111.14648   175.62082
   87    86 S   HC   _H13    81     1.09669   110.19336    73.66033
   88    84 S   OH5  _O45    96     1.42923   110.23745   -63.06895
   89    88 S   HO   _H33    97     0.97222   108.25619   -55.36038
   90    86 S   CT   _C25    82     1.53198   111.35248   -49.03506
   91    90 S   HC   _H14    83     1.09705   109.05127   -71.47944
   92    86 S   OH5  _O44    94     1.42949   109.67844  -170.46255
   93    92 S   HO   _H32    95     0.97241   108.13587    60.14348
   94    90 S   CT   _C26    84     1.53220   110.66691    49.74573
   95    94 S   HC   _H15    85     1.09836   110.93877    64.25092
   96    90 S   OH5  _O43    92     1.42594   109.71512   171.66940
   97    96 S   HO   _H31    93     0.97253   108.21924   -57.58826
   98    82 S   OS1  _O41    86     1.42674   111.45051   -66.74593
   99    94 S   CT   _C27    87     1.52962   111.58809  -174.92681
  100    99 S   HC   _H28    88     1.09502   111.01292    69.39361
  101    99 S   HC   _H29    89     1.09396   111.56923   -53.04524
  102    99 S   OH5  _O42    90     1.42518   109.00037  -171.98259
  103   102 S   HO   _H30    91     0.97246   106.99973  -178.31252
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  18   7  23   5   1  20  23   9   7   2   1
   1   8   4  14   6   2  12   4   9   3   6   2   1   1   9   6
   1   1  14   7   9  12   6   4   3   5   3   2   1   8   2   1
   1  13   6  12   7  13   7   4   1  12   7   3   1   9   6   3
   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    52    57    58    65    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    52    55    57    58    65    66    59    46    41    42  
   38    39    40    52    57    58    65    41  
   36    37  
   37  
    0  
   39    40    43    50    69    79    44    45    52    57    58    65    46    47    48    49    41    42  
   40    43    44    57    46    41    42  
   43    50    51    53    67    69    72    79    80    44    45    52    55    64    57    59    81    46    47    48    49    41    42  
   42    43    44    46    57  
    0  
   50    51    53    54    63    67    68    69    72    73    79    44    45    52    81    70    46    47    48    49  
   45    52    55    56    64    57    58    65    59    60    61    62    81    46    47    48    49    50    69    72    73    79    80  
   52    55    64    57    59    46    72    79    80  
   47    48    49    50    52    69    79  
   48    49  
   49  
    0  
   51    53    54    63    67    69    72    81  
   53    54    63    69  
   55    56    64    57    58    65    66    59    60    61    62    72    79    80  
   54    63    67    68    69    70  
   63    67  
   56    64    57    58    65    59    60    61    62    72    79    80  
   64    57    59    79  
   58    65    66    59    60    61    62    64    79  
   65    66    59  
   60    61    62    64    65    79  
   61    62  
   62  
    0  
   67    68    69    72    81    70    71    74    78  
   81    69    72    73    79    80  
   66  
    0  
   68    69    72    73    79    81    70    71    74    75    76    77    78    82  
   69    72    81    70    71    74    78  
   72    73    79    80    81    70    71    74    78  
   71    74    75    76    77    78    82    83    84    98    72    81  
   74    75    76    77    78    82  
   73    79    80    81  
   79    80    81  
   75    76    77    78    82  
   76    77    78  
   77    78  
   78  
   82    83    84    85    86    94    98    88  
   80    81  
   81  
    0  
   83    84    85    86    87    90    94    95    98    99    92    88    89  
   84    85    86    94    98    88  
   85    86    87    90    91    94    98    96    92    93    88    89  
   86    87    90    98    92    88    89  
   87    90    91    94    95    98    99    96    97    92    93    88    89  
   90    91    94    96    92    93    88  
   89    90    92    98  
    0  
   91    94    95    98    99   100   101   102    96    97    92    93  
   94    95    98    99    96    97    92  
   93    94    96  
    0  
   95    98    99   100   101   102   103    96    97  
   98    99   100   101   102    96  
   97    98    99  
    0  
   99   100   101   102  
  100   101   102   103  
  101   102   103  
  102   103  
  103  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660   0.205000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   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   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  103   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    57   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    41   320.000  1.410
   40    43   317.000  1.510
   40    44   268.000  1.529
   40    46   268.000  1.529
   43    50   549.000  1.340
   43    69   305.000  1.480
   50    51   340.000  1.080
   50    53   320.000  1.462
   53    54   570.000  1.229
   53    63   214.000  1.327
   63    67   320.000  1.410
   67    68   340.000  1.090
   67    69   275.000  1.510
   67    70   268.000  1.529
   69    72   260.000  1.509
   69    81   335.000  1.432
   72    73   340.000  1.088
   72    79   275.000  1.510
   72    81   335.000  1.432
   79    80   340.000  1.090
   79    44   268.000  1.529
   79    64   320.000  1.410
   44    45   340.000  1.090
   44    52   268.000  1.529
   52    55   317.000  1.522
   52    57   268.000  1.529
   52    59   268.000  1.529
   55    56   570.000  1.229
   55    64   214.000  1.327
   57    58   340.000  1.090
   57    65   320.000  1.410
   65    66   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    78   335.000  1.422
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    82   370.000  1.399
   82    83   360.000  1.097
   82    84   255.000  1.525
   82    98   370.000  1.399
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    88   355.000  1.421
   86    87   340.000  1.090
   86    90   268.000  1.529
   86    92   355.000  1.421
   90    91   340.000  1.090
   90    94   268.000  1.529
   90    96   355.000  1.421
   94    95   340.000  1.090
   94    98   335.000  1.422
   94    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   355.000  1.421
  102   103   580.000  0.967
   96    97   580.000  0.967
   92    93   580.000  0.967
   88    89   580.000  0.967
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    41    50.00000  109.50000
   33    57    52    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    65    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    70.00000  112.02700
   38    40    44    58.35000  112.70000
   38    40    46    58.35000  112.70000
   38    41    42    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    43    50    70.00000  124.00000
   40    43    69    65.00000  117.92700
   40    44    79    58.35000  112.70000
   40    44    45    37.50000  110.70000
   40    44    52    58.35000  112.70000
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    49    37.50000  110.70000
   43    50    51    35.00000  120.00000
   43    50    53    65.00000  118.96000
   43    69    67    65.00000  117.55000
   43    69    72    60.00000  120.58800
   43    69    81    85.00000  114.23300
   50    53    54    80.00000  123.72100
   50    53    63    90.00000  111.29400
   53    50    51    40.00000  117.72500
   53    63    67    83.00000  116.90000
   63    53    54    83.00000  123.40000
   63    67    68    35.00000  109.50000
   63    67    69    50.00000  109.50000
   63    67    70    50.00000  109.50000
   67    69    72    60.00000  120.94000
   67    69    81    80.00000  116.47100
   67    70    71    37.50000  110.70000
   67    70    74    58.35000  112.70000
   67    70    78    95.00000  107.88500
   69    43    50    55.00000  125.06700
   69    67    68    45.00000  109.38400
   69    72    73    37.50000  117.20000
   69    72    79    60.00000  120.94000
   69    72    81    15.00000   60.43100
   69    81    72    15.00000   59.14900
   72    79    80    45.00000  109.38400
   72    79    44    70.00000  112.37300
   72    79    64    50.00000  109.50000
   79    72    73    40.00000  115.04500
   79    44    45    37.50000  110.70000
   79    44    52    58.35000  112.70000
   79    64    55    83.00000  116.90000
   44    40    43    70.00000  112.02700
   44    79    80    37.50000  110.70000
   44    52    55    63.00000  111.10000
   44    52    57    58.35000  112.70000
   44    52    59    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    55    56    80.00000  120.40000
   52    55    64    81.00000  111.40000
   52    57    58    37.50000  110.70000
   52    57    65    50.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   64    79    80    35.00000  109.50000
   64    79    44    50.00000  109.50000
   64    55    56    83.00000  123.40000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    52    55    63.00000  111.10000
   57    65    66    55.00000  108.50000
   65    57    58    35.00000  109.50000
   59    52    55    63.00000  111.10000
   59    52    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   81    69    72    15.00000   60.43100
   81    72    73    50.00000  114.27700
   81    72    79    80.00000  116.47100
   70    67    68    37.50000  110.70000
   70    67    69    70.00000  112.37300
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    77    37.50000  110.70000
   70    78    82    90.00000  112.10700
   74    70    71    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    70    71    55.00000  108.98800
   78    70    74    95.00000  107.88500
   78    82    83    60.00000  105.75400
   78    82    84    90.00000  109.70700
   78    82    98   110.00000  113.16000
   82    84    85    45.00000  109.54000
   82    84    86    70.00000  111.10000
   82    84    88    90.00000  109.42000
   82    98    94    90.00000  112.10700
   84    82    83    45.00000  111.65000
   84    86    87    37.50000  110.70000
   84    86    90    58.35000  112.70000
   84    86    92    90.00000  111.45300
   84    88    89    65.00000  108.53500
   86    84    85    37.50000  110.70000
   86    90    91    37.50000  110.70000
   86    90    94    58.35000  112.70000
   86    90    96    90.00000  111.45300
   86    92    93    65.00000  108.53500
   90    86    87    37.50000  110.70000
   90    94    95    37.50000  110.70000
   90    94    98    95.00000  107.88500
   90    94    99    58.35000  112.70000
   90    96    97    65.00000  108.53500
   94    90    91    37.50000  110.70000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   102    90.00000  111.45300
   98    82    83    60.00000  105.75400
   98    82    84    90.00000  109.70700
   98    94    95    55.00000  108.98800
   99    94    95    37.50000  110.70000
   99    94    98    95.00000  107.88500
   99   102   103    65.00000  108.53500
  101    99   100    33.00000  107.80000
  102    99   100    60.00000  109.39000
  102    99   101    60.00000  109.39000
   96    90    91    60.00000  109.39000
   96    90    94    90.00000  111.45300
   92    86    87    60.00000  109.39000
   92    86    90    90.00000  111.45300
   88    84    85    60.00000  109.39000
   88    84    86    90.00000  111.45300
   46    40    43    70.00000  112.02700
   46    40    44    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
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   82    84    88    89   0.29150  1.0 1.0
   82    84    88    89  -0.28350 -1.0 2.0
   82    84    88    89   0.43600  1.0 3.0
   83    82    84    85   0.15000  1.0 3.0
   83    82    84    86   0.15000  1.0 3.0
   83    82    84    88   0.23400  1.0 3.0
   83    82    98    94   0.37050  1.0 3.0
   84    82    98    94   0.06250  1.0 1.0
   84    82    98    94  -0.01100 -1.0 2.0
   84    82    98    94   0.28050  1.0 3.0
   84    86    90    91   0.15000  1.0 3.0
   84    86   -90    94   0.56750  1.0 1.0
   84    86   -90    94  -0.07550 -1.0 2.0
   84    86   -90    94   0.20000  1.0 3.0
   84    86    90    96  -0.47750  1.0 1.0
   84    86    92    93   0.29150  1.0 1.0
   84    86    92    93  -0.28350 -1.0 2.0
   84    86    92    93   0.43600  1.0 3.0
   85    84    86    87   0.15000  1.0 3.0
   85    84    86    90   0.15000  1.0 3.0
   85    84    86    92   0.23400  1.0 3.0
   85    84    88    89   0.19450  1.0 3.0
   86    84    88    89   0.29150  1.0 1.0
   86    84    88    89  -0.28350 -1.0 2.0
   86    84    88    89   0.43600  1.0 3.0
   86    90    94    95   0.15000  1.0 3.0
   86    90    94    98   0.62750  1.0 1.0
   86    90    94    98  -0.30950 -1.0 2.0
   86    90    94    98   0.27300  1.0 3.0
   86    90    94    99   0.56750  1.0 1.0
   86    90    94    99  -0.07550 -1.0 2.0
   86    90    94    99   0.20000  1.0 3.0
   86    90    96    97   0.29150  1.0 1.0
   86    90    96    97  -0.28350 -1.0 2.0
   86    90    96    97   0.43600  1.0 3.0
   87    86    90    91   0.15000  1.0 3.0
   87    86    90    94   0.15000  1.0 3.0
   87    86    90    96   0.23400  1.0 3.0
   87    86    92    93   0.19450  1.0 3.0
   90    86    92    93   0.29150  1.0 1.0
   90    86    92    93  -0.28350 -1.0 2.0
   90    86    92    93   0.43600  1.0 3.0
   90    94   -98    82   0.06250  1.0 1.0
   90    94   -98    82  -0.01100 -1.0 2.0
   90    94   -98    82   0.28050  1.0 3.0
   90    94    99   100   0.15000  1.0 3.0
   90    94    99   101   0.15000  1.0 3.0
   90    94    99   102  -0.47750  1.0 1.0
   91    90    94    95   0.15000  1.0 3.0
   91    90    94    98   0.23400  1.0 3.0
   91    90    94    99   0.15000  1.0 3.0
   91    90    96    97   0.19450  1.0 3.0
   94    90    96    97   0.29150  1.0 1.0
   94    90    96    97  -0.28350 -1.0 2.0
   94    90    96    97   0.43600  1.0 3.0
   94    99   102   103   0.29150  1.0 1.0
   94    99   102   103  -0.28350 -1.0 2.0
   94    99   102   103   0.43600  1.0 3.0
   95    94    98    82   0.37050  1.0 3.0
   95    94    99   100   0.15000  1.0 3.0
   95    94    99   101   0.15000  1.0 3.0
   95    94    99   102   0.23400  1.0 3.0
   98    82    84    85   0.23400  1.0 3.0
   98    82   -84    86   0.62750  1.0 1.0
   98    82   -84    86  -0.30950 -1.0 2.0
   98    82   -84    86   0.27300  1.0 3.0
   98    82    84    88   1.51850  1.0 1.0
   98    94    99   100   0.23400  1.0 3.0
   98    94    99   101   0.23400  1.0 3.0
   98    94    99   102   1.51850  1.0 1.0
   99    94    98    82   0.06250  1.0 1.0
   99    94    98    82  -0.01100 -1.0 2.0
   99    94    98    82   0.28050  1.0 3.0
  100    99   102   103   0.19450  1.0 3.0
  101    99   102   103   0.19450  1.0 3.0
   96    90    94    95   0.23400  1.0 3.0
   96    90    94    98   1.51850  1.0 1.0
   96    90    94    99  -0.47750  1.0 1.0
   92    86    90    91   0.23400  1.0 3.0
   92    86    90    94  -0.47750  1.0 1.0
   92    86    90    96   3.77950  1.0 1.0
   88    84    86    87   0.23400  1.0 3.0
   88    84    86    90  -0.47750  1.0 1.0
   88    84    86    92   3.77950  1.0 1.0
   46    40    43    50   0.09850  1.0 1.0
   46    40    43    50   0.15250 -1.0 2.0
   46    40    43    50  -0.50650  1.0 3.0
   46    40    43    69   0.46850  1.0 1.0
   46    40    43    69   0.08550 -1.0 2.0
   46    40    43    69   0.09800  1.0 3.0
   46    40    44    79   0.56750  1.0 1.0
   46    40    44    79  -0.07550 -1.0 2.0
   46    40    44    79   0.20000  1.0 3.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    52   0.56750  1.0 1.0
   46    40    44    52  -0.07550 -1.0 2.0
   46    40    44    52   0.20000  1.0 3.0
   41    38    40    43   1.05650  1.0 1.0
   41    38    40    43   0.15600 -1.0 2.0
   41    38    40    43   0.53150  1.0 3.0
   41    38    40    44   0.86500  1.0 1.0
   41    38    40    44  -0.17500 -1.0 2.0
   41    38    40    44   0.20800  1.0 3.0
   41    38    40    46   0.86500  1.0 1.0
   41    38    40    46  -0.17500 -1.0 2.0
   41    38    40    46   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   40    69    43    50   1.10000 -1.0 2.0
   53    51    50    43   1.10000 -1.0 2.0
   50    63    53    54  10.50000 -1.0 2.0
   52    64    55    56  10.50000 -1.0 2.0
END
