* LIGAND DATABASE FILE (OPLS2005)
*
001     112   117    218    350     642
    1     0 S   NP   _N1_     1    28.82953    95.72442   -19.99789
    2     1 S   H    _HN1     2     1.02838    39.14865   148.89772
    3     1 S   H    _H1_     3     1.02776    80.46999   -76.70782
    4     1 S   H    _H2_     4     1.02963    90.42279    31.78889
    5     1 S   CT   _CA1     5     1.50055   149.06955   165.53092
    6     5 S   HC   _HA1     6     1.09571   105.33681    48.02984
    7     5 S   CO3  _C1_     7     1.53763   112.32274   -72.38993
    8     7 S   O2Z  _O11     8     1.26344   114.97123   -46.90233
    9     7 S   O2Z  _O12     9     1.26237   114.88006   132.48882
   10     5 S   CT   _CB1    10     1.53077   107.48665   166.03889
   11    10 S   HC   HB11    11     1.09819   109.47558   -51.35279
   12    10 S   HC   HB12    12     1.09827   110.37615    65.22296
   13    10 S   CT   _CG1    13     1.52982   112.56014  -172.47775
   14    13 S   HC   HG11    14     1.09617   110.39582   -60.32225
   15    13 S   HC   HG12    15     1.09632   110.11476    58.90984
   16    13 S   C    _CD1    16     1.51747   112.23406   179.35989
   17    16 S   O    _OE1    17     1.22709   123.28836    -7.48089
   18    16 S   N    _N2_    18     1.38565   111.53591   172.63260
   19    18 S   H    _HN2    19     1.01591   119.02279     2.09611
   20    18 S   CT1  _CA2    20     1.46222   123.46481  -176.92559
   21    20 S   HC   _HA2    21     1.09723   109.45465   -13.30394
   22    20 S   C    _C2_    22     1.53406   108.44278  -129.15534
   23    22 S   O    _O2_    23     1.23009   122.23196  -146.66395
   24    20 S   CT   _CB2    32     1.53372   110.89874   108.75822
   25    24 S   HC   HB21    33     1.09417   109.40141    54.25926
   26    24 S   HC   HB22    34     1.09493   110.91582   172.82728
   27    22 S   N    _N3_    24     1.38506   113.35896    40.78524
   28    27 S   H    _HN3    25     1.01532   118.88825    -0.81205
   29    24 S   S    _SG2    35     1.82942   111.69159   -67.73186
   30    27 S   CT   _CA3    26     1.45468   123.58815   175.16224
   31    30 S   HC   HA31    27     1.09515   109.40628    20.68104
   32    30 S   HC   HA32    28     1.09502   107.06776   137.70884
   33    29 S   CT   _C7_    36     1.84859    99.90058   151.33286
   34    33 S   HC   _H4_    37     1.09575   105.90703    36.44833
   35    30 S   CO3  _C3_    29     1.52926   113.04319  -102.91994
   36    35 S   O2Z  _O31    30     1.26412   115.38824   -44.57947
   37    35 S   O2Z  _O32    31     1.26355   115.00121   136.35417
   38    33 S   CT   _C8_    38     1.54868   108.77538   -81.27621
   39    38 S   HC   _H11    39     1.09822   110.76022    32.17950
   40    38 S   HC   _H12    40     1.09403   108.40618   -82.39917
   41    33 S   CT   _C5_   104     1.55563   110.55886   153.46245
   42    41 S   HC   _H3_   105     1.09508   108.85638   175.86995
   43    38 S   CT   _C9_    41     1.54220   115.30069   154.17136
   44    41 S   CO4  _C6_   106     1.52288   109.43913   -71.01048
   45    44 S   O    _O33   107     1.22687   124.74268   129.67882
   46    44 S   HC   _H10   108     1.10436   115.17748   -52.77117
   47    41 S   CT   _C4_   109     1.53127   116.28802    55.68212
   48    47 S   HC   _H7_   110     1.09442   112.44455   -66.04058
   49    47 S   HC   _H8_   111     1.09312   111.92356    56.39042
   50    47 S   HC   _H9_   112     1.09650   110.08229   175.30318
   51    43 S   CO4  _C10    42     1.55513   111.22014   -83.03656
   52    51 S   O    _O34    43     1.22755   123.65657    50.01790
   53    43 S   OS   _O39    95     1.43311   112.91926    34.20580
   54    51 S   CT   _C11    44     1.52837   114.09977  -131.83658
   55    54 S   HC   _H5_    45     1.09204   112.05525  -179.25822
   56    54 S   CM   _C16    46     1.50148   104.13208    59.14531
   57    56 S   HC   _H15    47     1.08314   121.27587   124.59316
   58    54 S   CT   _C12    91     1.53986   108.31579   -53.78340
   59    58 S   HC   _H13    92     1.09967   109.19965   163.23499
   60    58 S   HC   _H14    93     1.09136   110.94170   -81.75801
   61    56 S   CM   _C15    48     1.34273   114.25879   -60.18189
   62    61 S   CO4  _C17    49     1.46323   121.00750  -175.01988
   63    62 S   O    _O35    50     1.22391   122.11289    -0.72739
   64    62 S   CA   _C18    51     1.47371   115.74337   178.81617
   65    64 S   CA   _C23    52     1.39781   119.59185     3.42200
   66    65 S   CA   _C22    53     1.41455   119.75410   177.86347
   67    65 S   OS   _O36    87     1.36600   124.56449    -1.95014
   68    66 S   CA   _C21    54     1.41118   119.49804     3.41426
   69    66 S   CT   _C24    73     1.52060   121.18175  -177.79833
   70    69 S   HC   _H16    74     1.09576   110.17988    26.15524
   71    69 S   HC   _H17    75     1.09403   108.81415   138.98858
   72    43 S   CT   _C14    88     1.56385   114.65830   155.93805
   73    68 S   CA   _C20    55     1.39695   120.91011    -2.52809
   74    69 S   CM   _C25    76     1.50433   112.25503   -95.26781
   75    74 S   HC   _H18    77     1.08990   114.15877    58.00538
   76    72 S   CT   _C13    89     1.56624    96.59023  -167.57182
   77    76 S   HC   _H6_    90     1.09613   112.94821   159.78388
   78    64 S   CA   _C19    56     1.40857   120.61042  -176.57989
   79    73 S   CM   _C31    59     1.46002   119.15221  -178.13659
   80    79 S   HC   _H26    60     1.08342   120.27610   172.69556
   81    74 S   CM   _C26    78     1.34696   128.19060  -122.60429
   82    76 S   CT   _C34    94     1.56170   102.46299    40.88833
   83    78 S   OH   _O38    57     1.37371   121.95634     0.54140
   84    83 S   HO   _H33    58     0.97437   109.17511   -17.04943
   85    79 S   CM   _C30    61     1.33459   118.67519    -8.55159
   86    85 S   HC   _H25    62     1.08678   119.08891  -177.94091
   87    81 S   CT   _C27    79     1.50619   120.27141  -179.78694
   88    87 S   HC   _H19    80     1.09496   110.24177   120.36166
   89    87 S   HC   _H20    81     1.09501   110.21730  -119.82299
   90    87 S   HC   _H21    82     1.09513   112.45540     0.25869
   91    81 S   CT   _C28    83     1.50274   125.57331     0.12820
   92    91 S   HC   _H22    84     1.09501   110.09447   123.03402
   93    91 S   HC   _H23    85     1.09513   109.96232  -117.85931
   94    91 S   HC   _H24    86     1.09123   113.86128     2.73366
   95    82 S   CT   _C35    96     1.53326   116.25578  -146.79546
   96    95 S   HC   _H34    97     1.09697   110.81552  -175.54297
   97    95 S   HC   _H35    98     1.09507   111.92474    68.09196
   98    95 S   HC   _H36    99     1.09456   111.57288   -55.15951
   99    82 S   CT   _C36   100     1.53453   112.46350    89.24559
  100    99 S   HC   _H37   101     1.09670   110.86264  -179.74131
  101    99 S   HC   _H38   102     1.09467   111.41482    59.63526
  102    99 S   HC   _H39   103     1.08812   112.32582   -62.73708
  103    85 S   CT   _C29    63     1.50607   122.35431     0.69125
  104    68 S   OS   _O37    64     1.37187   116.71454   179.05085
  105   103 S   CT   _C32    65     1.53323   109.82205  -106.86037
  106   105 S   HC   _H27    66     1.09568   110.90045  -179.05002
  107   105 S   HC   _H28    67     1.09659   111.04157    63.06586
  108   105 S   HC   _H29    68     1.09556   111.91613   -58.00992
  109   103 S   CT   _C33    69     1.53332   109.30872   132.84766
  110   109 S   HC   _H30    70     1.09656   110.83520  -179.51503
  111   109 S   HC   _H31    71     1.09559   112.05561    59.41220
  112   109 S   HC   _H32    72     1.09679   110.86915   -61.73648
  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
  17   8   2   1   1  16   6   5   9   7  17   6   2   1   3   2
   1   1  14   6  16  12   7  11   4  10   5   4  10  10   4  11
  13  14   7  14   9   4   3   5   9  10   3  10   3   6   8   3
   8   8   1   1  11   4   7   3   2   1   3   2   1   1   7   3
   2   1   3   2   1   1   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    51    72    53    41    42    44    45    46    47    48    49    50  
   38    39    40    43    41    42    44    47  
   36    37  
   37  
    0  
   39    40    43    51    52    54    61    67    72    76    82    53    41    42    44    47  
   40    43    51    72    53    41  
   43    51    72    53    41  
   42    44    45    46    47    48    49    50    43  
   44    45    46    47    48    49    50  
   51    52    54    55    56    61    62    65    67    72    76    77    58    82    53    95    99  
   45    46    47    48    49    50  
   46    47  
   47  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    56    57    61    67    72    76    58    59    60    82    53  
   54    55    56    72    58    53  
   95    96    97    98    99   100   101   102    54    58    61    67    72    76    77    82  
   55    56    57    61    62    72    76    77    58    59    60    82  
   56    57    61    76    58    59    60  
   57    61    62    63    64    67    72    76    58    59    60  
   61    62    72    58  
   59    60    82    95    99    61    67    72    76    77  
   60    82    72    76    77  
   82    72    76    77  
   62    63    64    65    78    67    72    76    77    82  
   63    64    65    66    73    78    83    67    72    76  
   64    65    78    72  
   65    66    68    73    78    83    84    79    69    67    72  
   66    68    73    78    83   104    69    70    71    74    67    72    76  
   68    73    78    79   103   104    69    70    71    74    75    81    67    72  
   72    76    77    82    68    69    78  
   73    78    83    79    80    85   103   104   105   109    69    70    71    74  
   70    71    74    75    81    87    91    73   104  
   71    74    75    81  
   74    75    81  
   76    77    82    95    99  
   78    83    84    79    80    85    86   103   104  
   75    81    87    88    89    90    91    92    93    94  
   81    87    91  
   77    82    95    96    97    98    99   100   101   102  
   82    95    99  
   83    84    79    80    85   104  
   80    85    86   103   104   105   109    83  
   85    86   103  
   87    88    89    90    91    92    93    94  
   95    96    97    98    99   100   101   102  
   84  
    0  
   86   103   104   105   106   107   108   109   110   111   112  
  103   104   105   109  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91  
   91  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98    99   100   101   102  
   97    98    99  
   98    99  
   99  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107   108   109   110   111   112  
  105   106   107   108   109   110   111   112  
  106   107   108   109   110   111   112  
  107   108   109  
  108   109  
  109  
  110   111   112  
  111   112  
  112  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    51   317.000  1.522
   43    72   268.000  1.529
   43    53   320.000  1.410
   51    52   570.000  1.229
   51    54   317.000  1.522
   54    55   340.000  1.090
   54    56   317.000  1.510
   54    58   268.000  1.529
   56    57   340.000  1.080
   56    61   549.000  1.340
   61    62   320.000  1.462
   61    72   317.000  1.510
   62    63   570.000  1.229
   62    64   310.000  1.470
   64    65   469.000  1.400
   64    78   469.000  1.400
   65    66   469.000  1.400
   65    67   450.000  1.364
   66    68   469.000  1.400
   66    69   317.000  1.510
   68    73   469.000  1.400
   68   104   450.000  1.364
   73    78   469.000  1.400
   73    79   320.000  1.460
   78    83   450.000  1.364
   83    84   553.000  0.945
   79    80   340.000  1.080
   79    85   549.000  1.340
   85    86   340.000  1.080
   85   103   317.000  1.510
  103   104   320.000  1.410
  103   105   268.000  1.529
  103   109   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   317.000  1.510
   74    75   340.000  1.080
   74    81   549.000  1.340
   81    87   317.000  1.510
   81    91   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   67    72   320.000  1.410
   72    76   268.000  1.529
   76    77   340.000  1.090
   76    58   268.000  1.529
   76    82   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   82    53   320.000  1.410
   82    95   268.000  1.529
   82    99   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   41    42   340.000  1.090
   41    44   317.000  1.522
   41    47   268.000  1.529
   44    45   570.000  1.229
   44    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    44    63.00000  111.10000
   33    41    47    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    51    63.00000  111.10000
   38    43    72    58.35000  112.70000
   38    43    53    50.00000  109.50000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    51    52    80.00000  120.40000
   43    51    54    70.00000  116.00000
   43    72    61    70.00000  112.02700
   43    72    67    50.00000  109.50000
   43    72    76    58.35000  112.70000
   43    53    82    60.00000  109.50000
   51    54    55    35.00000  109.50000
   51    54    56    70.00000  109.06800
   51    54    58    63.00000  111.10000
   54    51    52    80.00000  120.40000
   54    56    57    35.00000  117.00000
   54    56    61    70.00000  124.00000
   54    58    76    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   56    54    55    35.00000  109.50000
   56    61    62    65.00000  118.96000
   56    61    72    70.00000  124.00000
   61    56    57    35.00000  120.00000
   61    62    63    80.00000  123.72100
   61    62    64    65.00000  117.02400
   61    72    67    85.00000  110.90400
   61    72    76    70.00000  112.02700
   62    64    65    60.00000  119.52600
   62    64    78    60.00000  119.52600
   64    62    63    75.00000  123.78400
   64    65    66    63.00000  120.00000
   64    65    67    70.00000  120.00000
   64    78    73    63.00000  120.00000
   64    78    83    70.00000  120.00000
   65    66    68    63.00000  120.00000
   65    66    69    70.00000  120.00000
   65    67    72    75.00000  111.00000
   66    68    73    63.00000  120.00000
   66    68   104    70.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    74    70.00000  112.99600
   68    73    78    63.00000  120.00000
   68    73    79    60.00000  120.93500
   68   104   103    75.00000  111.00000
   73    78    83    70.00000  120.00000
   73    79    80    40.00000  117.26300
   73    79    85    60.00000  123.20500
   78    64    65    63.00000  120.00000
   78    83    84    35.00000  113.00000
   79    73    78    60.00000  120.93500
   79    85    86    35.00000  120.00000
   79    85   103    70.00000  124.00000
   85    79    80    35.00000  120.00000
   85   103   104    85.00000  110.90400
   85   103   105    70.00000  112.02700
   85   103   109    70.00000  112.02700
  103    85    86    35.00000  117.00000
  103   105   106    37.50000  110.70000
  103   105   107    37.50000  110.70000
  103   105   108    37.50000  110.70000
  103   109   110    37.50000  110.70000
  103   109   111    37.50000  110.70000
  103   109   112    37.50000  110.70000
  104    68    73    70.00000  120.00000
  105   103   104    50.00000  109.50000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   103   104    50.00000  109.50000
  109   103   105    58.35000  112.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   69    66    68    70.00000  120.00000
   69    74    75    35.00000  117.00000
   69    74    81    70.00000  124.00000
   71    69    70    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    35.00000  109.50000
   74    81    87    70.00000  124.00000
   74    81    91    70.00000  124.00000
   81    74    75    35.00000  120.00000
   81    87    88    35.00000  109.50000
   81    87    89    35.00000  109.50000
   81    87    90    35.00000  109.50000
   81    91    92    35.00000  109.50000
   81    91    93    35.00000  109.50000
   81    91    94    35.00000  109.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    81    87    65.00000  117.92700
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   67    65    66    70.00000  120.00000
   67    72    76    50.00000  109.50000
   72    43    51    63.00000  111.10000
   72    61    62    65.00000  116.34900
   72    76    77    37.50000  110.70000
   72    76    58    58.35000  112.70000
   72    76    82    58.35000  112.70000
   76    58    59    37.50000  110.70000
   76    58    60    37.50000  110.70000
   76    82    53    50.00000  109.50000
   76    82    95    58.35000  112.70000
   76    82    99    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    54    56    70.00000  112.02700
   58    76    77    37.50000  110.70000
   60    58    59    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    58    58.35000  112.70000
   82    95    96    37.50000  110.70000
   82    95    97    37.50000  110.70000
   82    95    98    37.50000  110.70000
   82    99   100    37.50000  110.70000
   82    99   101    37.50000  110.70000
   82    99   102    37.50000  110.70000
   53    43    51    90.00000  108.74100
   53    43    72    50.00000  109.50000
   95    82    53    50.00000  109.50000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   99    82    53    50.00000  109.50000
   99    82    95    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    44    45    80.00000  120.40000
   41    44    46    35.00000  115.00000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    50    37.50000  110.70000
   44    41    42    35.00000  109.50000
   46    44    45    35.00000  123.00000
   47    41    42    37.50000  110.70000
   47    41    44    63.00000  111.10000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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
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   72    76   -58    54  -0.07550 -1.0 2.0
   72    76   -58    54   0.20000  1.0 3.0
   72    76    58    59   0.15000  1.0 3.0
   72    76    58    60   0.15000  1.0 3.0
   72    76   -82    53   0.62750  1.0 1.0
   72    76   -82    53  -0.30950 -1.0 2.0
   72    76   -82    53   0.27300  1.0 3.0
   72    76    82    95   0.56750  1.0 1.0
   72    76    82    95  -0.07550 -1.0 2.0
   72    76    82    95   0.20000  1.0 3.0
   72    76    82    99   0.56750  1.0 1.0
   72    76    82    99  -0.07550 -1.0 2.0
   72    76    82    99   0.20000  1.0 3.0
   76    82   -53    43   0.06250  1.0 1.0
   76    82   -53    43  -0.01100 -1.0 2.0
   76    82   -53    43   0.28050  1.0 3.0
   76    82    95    96   0.15000  1.0 3.0
   76    82    95    97   0.15000  1.0 3.0
   76    82    95    98   0.15000  1.0 3.0
   76    82    99   100   0.15000  1.0 3.0
   76    82    99   101   0.15000  1.0 3.0
   76    82    99   102   0.15000  1.0 3.0
   77    76    58    54   0.15000  1.0 3.0
   77    76    58    59   0.15000  1.0 3.0
   77    76    58    60   0.15000  1.0 3.0
   77    76    82    53   0.23400  1.0 3.0
   77    76    82    95   0.15000  1.0 3.0
   77    76    82    99   0.15000  1.0 3.0
   58    54    56    57   0.00000  1.0 1.0
   58    54   -56    61   0.09850  1.0 1.0
   58    54   -56    61   0.15250 -1.0 2.0
   58    54   -56    61  -0.50650  1.0 3.0
   58    76    82    53   0.62750  1.0 1.0
   58    76    82    53  -0.30950 -1.0 2.0
   58    76    82    53   0.27300  1.0 3.0
   58    76    82    95   0.56750  1.0 1.0
   58    76    82    95  -0.07550 -1.0 2.0
   58    76    82    95   0.20000  1.0 3.0
   58    76    82    99   0.56750  1.0 1.0
   58    76    82    99  -0.07550 -1.0 2.0
   58    76    82    99   0.20000  1.0 3.0
   82    76    58    54   0.56750  1.0 1.0
   82    76    58    54  -0.07550 -1.0 2.0
   82    76    58    54   0.20000  1.0 3.0
   82    76    58    59   0.15000  1.0 3.0
   82    76    58    60   0.15000  1.0 3.0
   53    43    51    52   0.30150 -1.0 2.0
   53    43    51    54   0.55300  1.0 1.0
   53    43    51    54   1.25850 -1.0 2.0
   53    43    51    54  -0.23600  1.0 3.0
   53    43    72    61   0.61850  1.0 1.0
   53    43    72    61  -0.22750 -1.0 2.0
   53    43    72    61   0.15300  1.0 3.0
   53    43    72    67   1.11900  1.0 1.0
   53    43    72    67  -1.16350 -1.0 2.0
   53    43    72    67  -0.34150  1.0 3.0
   53    43   -72    76   0.62750  1.0 1.0
   53    43   -72    76  -0.30950 -1.0 2.0
   53    43   -72    76   0.27300  1.0 3.0
   53    82    95    96   0.23400  1.0 3.0
   53    82    95    97   0.23400  1.0 3.0
   53    82    95    98   0.23400  1.0 3.0
   53    82    99   100   0.23400  1.0 3.0
   53    82    99   101   0.23400  1.0 3.0
   53    82    99   102   0.23400  1.0 3.0
   95    82    53    43   0.06250  1.0 1.0
   95    82    53    43  -0.01100 -1.0 2.0
   95    82    53    43   0.28050  1.0 3.0
   95    82    99   100   0.15000  1.0 3.0
   95    82    99   101   0.15000  1.0 3.0
   95    82    99   102   0.15000  1.0 3.0
   99    82    53    43   0.06250  1.0 1.0
   99    82    53    43  -0.01100 -1.0 2.0
   99    82    53    43   0.28050  1.0 3.0
   99    82    95    96   0.15000  1.0 3.0
   99    82    95    97   0.15000  1.0 3.0
   99    82    95    98   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    46   0.00000  1.0 1.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    50   0.15000  1.0 3.0
   44    41    47    48  -0.11250  1.0 3.0
   44    41    47    49  -0.11250  1.0 3.0
   44    41    47    50  -0.11250  1.0 3.0
   47    41    44    45   0.30150 -1.0 2.0
   47    41    44    46   0.74550  1.0 1.0
   47    41    44    46  -0.00500 -1.0 2.0
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
   43    54    51    52  10.50000 -1.0 2.0
   54    57    56    61   1.10000 -1.0 2.0
   62    72    61    56   1.10000 -1.0 2.0
   61    64    62    63  10.50000 -1.0 2.0
   65    78    64    62   4.00000 -1.0 2.0
   66    67    65    64   4.00000 -1.0 2.0
   68    69    66    65   4.00000 -1.0 2.0
   73   104    68    66   4.00000 -1.0 2.0
   78    79    73    68   4.00000 -1.0 2.0
   73    83    78    64   4.00000 -1.0 2.0
   73    80    79    85   1.10000 -1.0 2.0
  103    86    85    79   1.10000 -1.0 2.0
   69    75    74    81  15.00000 -1.0 2.0
   87    91    81    74  15.00000 -1.0 2.0
   41    46    44    45  10.50000 -1.0 2.0
END
