* LIGAND DATABASE FILE (OPLS2005)
*
001     101   106    205    341     615
    1     0 S   NP   _N1_     1    29.34387    92.38843   -27.24880
    2     1 S   H    _HN1     2     1.02949    93.85430    12.70290
    3     1 S   H    _H1_     3     1.02828    16.95391  -129.33972
    4     1 S   H    _H2_     4     1.02788   123.24021  -102.24090
    5     1 S   CT   _CA1     5     1.50111   107.07459   125.42519
    6     5 S   HC   _HA1     6     1.09572   105.19319    76.75346
    7     5 S   CO3  _C1_     7     1.53787   112.47940   -43.48811
    8     7 S   O2Z  _O11     8     1.26372   115.00863   -42.35919
    9     7 S   O2Z  _O12     9     1.26241   114.94735   136.78275
   10     5 S   CT   _CB1    10     1.53077   107.41923  -165.25649
   11    10 S   HC   HB11    11     1.09834   109.37314   -49.64206
   12    10 S   HC   HB12    12     1.09812   110.44787    66.96827
   13    10 S   CT   _CG1    13     1.52990   112.60603  -170.61272
   14    13 S   HC   HG11    14     1.09580   110.64195   -65.76155
   15    13 S   HC   HG12    15     1.09670   109.77483    53.47263
   16    13 S   C    _CD1    16     1.51798   112.20925   173.93744
   17    16 S   O    _OE1    17     1.22729   123.26620     7.39351
   18    16 S   N    _N2_    18     1.38644   111.67366  -172.63241
   19    18 S   H    _HN2    19     1.01566   118.93644     1.83813
   20    18 S   CT1  _CA2    20     1.46258   123.45462   177.62859
   21    20 S   HC   _HA2    21     1.09738   109.38482     4.94926
   22    20 S   C    _C2_    22     1.53608   108.41448  -110.54973
   23    22 S   O    _O2_    23     1.23055   122.37038  -146.16167
   24    20 S   CT   _CB2    32     1.53535   111.62486   127.01321
   25    24 S   HC   HB21    33     1.09480   109.36675    56.30926
   26    24 S   HC   HB22    34     1.09325   109.55350   175.24523
   27    22 S   N    _N3_    24     1.38361   113.69675    41.14069
   28    27 S   H    _HN3    25     1.01568   119.60389    -2.91779
   29    24 S   S    _SG2    35     1.83042   111.00322   -64.05220
   30    27 S   CT   _CA3    26     1.45285   123.21695   177.30173
   31    30 S   HC   HA31    27     1.09548   107.48183   -65.40937
   32    30 S   HC   HA32    28     1.09557   108.02230    51.03886
   33    29 S   CT   _C23    36     1.89790   103.06776  -171.41991
   34    30 S   CO3  _C3_    29     1.52965   114.07762   173.06096
   35    34 S   O2Z  _O31    30     1.26376   116.07472    -0.66470
   36    34 S   O2Z  _O32    31     1.26427   114.41285   179.39899
   37    33 S   CM   _C8_    37     1.52316   105.14699    67.11544
   38    37 S   HC   _H37    38     1.09049   116.06807   -81.27425
   39    33 S   CT   _C15    91     1.54765   108.05108   -51.37218
   40    39 S   HC   _H46    92     1.09665   111.10141    64.67601
   41    39 S   HC   _H47    93     1.09771   110.27550   -52.91632
   42    37 S   CMA  _C9_    39     1.35037   126.71258    99.40516
   43    42 S   OM   _O28    40     1.26214   129.25469   179.13430
   44    42 S   CT   _C11    41     1.52460   119.57598    -0.55072
   45    44 S   HC   _H38    42     1.09986   109.02388   114.14015
   46    44 S   HC   _H39    43     1.10012   110.45338  -129.60835
   47    44 S   CT   _C12    44     1.53394   115.39019    -7.90276
   48    47 S   HC   _H40    45     1.09640   109.10878   163.41380
   49    47 S   HC   _H41    46     1.09766   108.24704   -83.51528
   50    33 S   CT   _C25    47     1.59405   111.33124  -173.06483
   51    50 S   CT   _C19    48     1.59114   109.89052   171.26657
   52    51 S   HC   _H53    49     1.09869   107.40868    60.80556
   53    50 S   CT   _C29    98     1.55388   112.04896    49.23989
   54    53 S   HC   _H62    99     1.09318   112.34407    58.56680
   55    53 S   HC   _H63   100     1.09445   112.26870   -62.63827
   56    53 S   HC   _H64   101     1.09384   111.74798   179.65622
   57    51 S   CT   _C14    50     1.55394   114.71169   176.43234
   58    57 S   HC   _H44    51     1.09305   110.87156    56.50454
   59    57 S   HC   _H45    52     1.09521   109.92052   -60.70665
   60    57 S   CT   _C16    53     1.54000   113.63738   179.04264
   61    60 S   HC   _H48    54     1.09719   108.20822    68.43780
   62    60 S   HC   _H49    55     1.09501   108.78791  -176.40926
   63    60 S   CT   _C26    56     1.53783   111.92286   -53.65939
   64    63 S   CT   _C20    57     1.54935   106.56726    57.01233
   65    64 S   HC   _H54    58     1.10076   108.41465    54.95116
   66    63 S   CT   _C30    94     1.55121   110.02476   -66.13015
   67    66 S   HC   _H65    95     1.09474   112.40825  -177.25662
   68    66 S   HC   _H66    96     1.09287   112.96684    61.81835
   69    66 S   HC   _H67    97     1.09579   110.65395   -57.54621
   70    64 S   CT   _C17    59     1.52714   103.77901   167.51713
   71    70 S   HC   _H50    60     1.09590   110.15753    83.50835
   72    70 S   HC   _H51    61     1.09445   112.03043  -156.14176
   73    51 S   CT   _C18    86     1.55531   112.25851   -54.51649
   74    73 S   HC   _H52    87     1.09481   110.03661   -61.78293
   75    70 S   CT   _C21    62     1.54171   104.01671   -34.43550
   76    75 S   HC   _H55    63     1.09426   109.16251   134.44157
   77    73 S   CT   _C13    88     1.52982   110.07331    56.84955
   78    77 S   HC   _H42    89     1.09657   109.93466  -176.90642
   79    77 S   HC   _H43    90     1.09738   110.24406    66.12574
   80    63 S   CT   _C24    64     1.55477   116.58595   167.64533
   81    80 S   OS   _O34    65     1.42767   111.57633   -41.22692
   82    80 S   CO4  _C10    80     1.53379   115.36407    81.55703
   83    82 S   O    _O29    81     1.23245   122.03499   106.26003
   84    81 S   CO   _C22    66     1.42895   107.55858  -129.68264
   85    82 S   CT   _C27    82     1.50868   118.06040   -71.09057
   86    85 S   HC   _H56    83     1.09153   109.73593    82.83174
   87    85 S   HC   _H57    84     1.09203   110.89140   -39.07001
   88    85 S   HC   _H58    85     1.09400   109.17768  -157.69425
   89    84 S   C5A  _C7_    67     1.49040   107.87446   127.45792
   90    75 S   OS   _O33    75     1.42486   111.08317  -106.21388
   91    84 S   CT   _C28    76     1.52257   109.65474  -110.93110
   92    91 S   HC   _H59    77     1.09588   110.60713    61.74241
   93    91 S   HC   _H60    78     1.09562   111.53579   -57.42202
   94    91 S   HC   _H61    79     1.09573   111.48010  -179.24204
   95    89 S   C5BC _C5_    68     1.38157   133.76517  -137.42728
   96    95 S   HA   _H35    69     1.08083   126.08450    -0.12820
   97    95 S   C5BC _C4_    70     1.41468   106.59030   179.23587
   98    97 S   HA   _H34    71     1.08038   127.62621  -179.47474
   99    97 S   C5A  _C6_    72     1.37411   106.12694     0.40926
  100    99 S   HA   _H36    73     1.08031   133.77807  -179.86583
  101    89 S   OA   _O30    74     1.36740   116.61881    42.58838
  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  20   9   5   2   1   1  12   6   5  15   5   4  21  19
   9   9   3   2   1  12   6   5   6   3  10   5   2   1   1  11
  12   7   4  11   3   2   1   1  12   6   5   2   1   1   6   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    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    77    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    73    77    78    79    39    40    41    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    77    39    40    41    53  
   42    43    44    50    39  
   40    41    53    42    47    50    51    64    73    74    77    78    79  
   41    50    73    77    78    79  
   50    73    77    78    79  
   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    73    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    59    60    64    73    74    77    53    54    55    56  
   52    57    58    59    60    61    62    63    64    65    70    73    74    77    78    79    53    54    55    56  
   57    58    59    60    64    73    74    77    53  
   54    55    56    57    73  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    80    73    74    77    66  
   59    60    61    62    63    73  
   60    61    62    63    73  
   61    62    63    64    65    70    75    80    81    82    73    66    67    68    69  
   62    63    64    80    66  
   63    64    80    66  
   64    65    70    71    72    75    76    80    81    84    90    82    83    85    73    74    77    66    67    68    69  
   65    70    71    72    75    76    80    81    90    82    73    74    77    78    79    66    67    68    69  
   70    71    72    75    80    73    74    77    66  
   67    68    69    70    73    75    80    81    82  
   68    69    80  
   69    80  
   80  
   71    72    75    76    80    81    84    90    82    73    74    77  
   72    75    76    80    90    73  
   75    76    80    90    73  
   74    77    78    79    75    80  
   77    78    79  
   76    80    81    84    89    90    91    82    83    85  
   80    81    84    90    82  
   78    79  
   79  
    0  
   81    84    89    90    91    82    83    85    86    87    88  
   84    89    95   101    90    91    92    93    94    82    83    85  
   83    85    86    87    88    84    90  
   85    86    87    88  
   89    95    96    97    99   101    90    91    92    93    94  
   86    87    88  
   87    88  
   88  
    0  
   95    96    97    98    99   100   101    90    91    92    93    94  
   91    92    93    94    95   101  
   92    93    94    95   101  
   93    94  
   94  
    0  
   96    97    98    99   100   101  
   97    98    99   101  
   98    99   100   101  
   99   100   101  
  100   101  
  101  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660   0.515000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   96   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   97   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   99   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  101   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
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    73   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   268.000  1.529
   63    80   268.000  1.529
   63    66   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    73   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    80   268.000  1.529
   75    90   320.000  1.410
   80    81   320.000  1.410
   80    82   317.000  1.522
   81    84   320.000  1.380
   84    89   295.000  1.489
   84    90   320.000  1.380
   84    91   250.000  1.527
   89    95   546.000  1.367
   89   101   340.000  1.360
   95    96   367.000  1.080
   95    97   469.000  1.424
   97    98   367.000  1.080
   97    99   546.000  1.367
   99   100   367.000  1.080
   99   101   340.000  1.360
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   82    83   570.000  1.229
   82    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   73    74   340.000  1.090
   73    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    77    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    73    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    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   51    73    64    58.35000  112.70000
   51    73    74    37.50000  110.70000
   51    73    77    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    58.35000  112.70000
   60    63    80    58.35000  112.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    70    58.35000  112.70000
   63    64    73    58.35000  112.70000
   63    80    75    58.35000  112.70000
   63    80    81    50.00000  109.50000
   63    80    82    63.00000  111.10000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    75    58.35000  112.70000
   64    73    74    37.50000  110.70000
   64    73    77    58.35000  112.70000
   70    64    65    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    80    58.35000  112.70000
   70    75    90    50.00000  109.50000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    80    81    50.00000  109.50000
   75    80    82    63.00000  111.10000
   75    90    84    60.00000  109.50000
   80    63    64    58.35000  112.70000
   80    75    76    37.50000  110.70000
   80    81    84    60.00000  109.50000
   80    82    83    80.00000  120.40000
   80    82    85    70.00000  116.00000
   81    84    89    90.00000  106.80000
   81    84    90    92.60000  111.55000
   81    84    91    90.00000  108.56700
   84    89    95    50.00000  133.50000
   84    89   101    80.00000  116.10000
   84    91    92    45.00000  108.72000
   84    91    93    45.00000  108.72000
   84    91    94    45.00000  108.72000
   89    95    96    35.00000  125.70000
   89    95    97    70.00000  107.30000
   89   101    99    70.00000  106.50000
   95    97    98    35.00000  127.50000
   95    97    99    70.00000  107.30000
   97    95    96    35.00000  127.50000
   97    99   100    35.00000  132.10000
   97    99   101    70.00000  110.60000
   99    97    98    35.00000  125.70000
  101    89    95    70.00000  110.60000
  101    99   100    35.00000  113.40000
   90    75    76    35.00000  109.50000
   90    75    80    50.00000  109.50000
   90    84    89    90.00000  106.80000
   91    84    89    70.00000  113.44400
   91    84    90    90.00000  108.56700
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   82    80    81    90.00000  108.74100
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    88    35.00000  109.50000
   85    82    83    80.00000  120.40000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   73    51    52    37.50000  110.70000
   73    51    57    58.35000  112.70000
   73    64    65    37.50000  110.70000
   73    64    70    58.35000  112.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    39    58.35000  112.70000
   77    73    74    37.50000  110.70000
   77    39    40    37.50000  110.70000
   77    39    41    37.50000  110.70000
   79    77    78    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    77    78    37.50000  110.70000
   39    77    79    37.50000  110.70000
   41    39    40    33.00000  107.80000
   66    63    64    58.35000  112.70000
   66    63    80    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    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
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
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   91    84    89   101  -0.24750 -1.0 2.0
   91    84    89   101   0.76750  1.0 3.0
   91    84    90    75   0.06250  1.0 1.0
   91    84    90    75  -0.01100 -1.0 2.0
   91    84    90    75   0.28050  1.0 3.0
   82    80    81    84  -1.11000  1.0 1.0
   82    80    81    84   0.50250 -1.0 2.0
   82    80    81    84   0.47450  1.0 3.0
   83    82    85    86   0.00000  1.0 1.0
   83    82    85    87   0.00000  1.0 1.0
   83    82    85    88   0.00000  1.0 1.0
   73    51    57    58   0.15000  1.0 3.0
   73    51    57    59   0.15000  1.0 3.0
   73    51   -57    60   0.56750  1.0 1.0
   73    51   -57    60  -0.07550 -1.0 2.0
   73    51   -57    60   0.20000  1.0 3.0
   73    64    70    71   0.15000  1.0 3.0
   73    64    70    72   0.15000  1.0 3.0
   73    64    70    75   0.56750  1.0 1.0
   73    64    70    75  -0.07550 -1.0 2.0
   73    64    70    75   0.20000  1.0 3.0
   73    77   -39    33   0.56750  1.0 1.0
   73    77   -39    33  -0.07550 -1.0 2.0
   73    77   -39    33   0.20000  1.0 3.0
   73    77    39    40   0.15000  1.0 3.0
   73    77    39    41   0.15000  1.0 3.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    79   0.15000  1.0 3.0
   74    73    77    39   0.15000  1.0 3.0
   78    77    39    33   0.15000  1.0 3.0
   78    77    39    40   0.15000  1.0 3.0
   78    77    39    41   0.15000  1.0 3.0
   79    77    39    33   0.15000  1.0 3.0
   79    77    39    40   0.15000  1.0 3.0
   79    77    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33   -50    51   0.56750  1.0 1.0
   39    33   -50    51  -0.07550 -1.0 2.0
   39    33   -50    51   0.20000  1.0 3.0
   39    33    50    53   0.56750  1.0 1.0
   39    33    50    53  -0.07550 -1.0 2.0
   39    33    50    53   0.20000  1.0 3.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    70   0.56750  1.0 1.0
   66    63    64    70  -0.07550 -1.0 2.0
   66    63    64    70   0.20000  1.0 3.0
   66    63    64    73   0.56750  1.0 1.0
   66    63    64    73  -0.07550 -1.0 2.0
   66    63    64    73   0.20000  1.0 3.0
   66    63    80    75   0.56750  1.0 1.0
   66    63    80    75  -0.07550 -1.0 2.0
   66    63    80    75   0.20000  1.0 3.0
   66    63    80    81   0.62750  1.0 1.0
   66    63    80    81  -0.30950 -1.0 2.0
   66    63    80    81   0.27300  1.0 3.0
   66    63    80    82  -0.95700  1.0 1.0
   66    63    80    82  -0.18200 -1.0 2.0
   66    63    80    82   0.29450  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    73   0.56750  1.0 1.0
   53    50    51    73  -0.07550 -1.0 2.0
   53    50    51    73   0.20000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  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
   95   101    89    84   4.00000 -1.0 2.0
   97    96    95    89   1.10000 -1.0 2.0
   99    98    97    95   1.10000 -1.0 2.0
  101   100    99    97   1.10000 -1.0 2.0
   80    85    82    83  10.50000 -1.0 2.0
END
