* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    202    326     593
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02052    39.35967   121.26010
    3     1 S   H    _H1_     3     1.02094    74.95449   -90.59167
    4     1 S   H    _H2_     4     1.02048   101.68691    15.87420
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C34    36     1.82958    97.92579   161.85094
   34    33 S   HC   _H3_    37     1.09668   106.88344   -40.63650
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C19    38     1.50783   108.22326  -159.99641
   39    38 S   HC   _H52    39     1.08841   117.08082   -63.87586
   40    33 S   CT   _C33    63     1.53437   109.13468    77.94636
   41    40 S   HC   _H70    64     1.09799   110.23507   -60.21527
   42    40 S   HC   _H71    65     1.09787   110.80509    58.73065
   43    38 S   CM   _C16    40     1.34217   123.45284   116.87632
   44    43 S   HC   _H49    41     1.08744   119.47977    -0.38664
   45    40 S   C    _C21    66     1.52379   113.27441  -179.04509
   46    45 S   O    _O37    67     1.22845   123.11759  -117.62200
   47    43 S   CM   _C15    42     1.44431   123.17344   179.58931
   48    47 S   HC   _H48    43     1.08708   117.33100    -0.05935
   49    45 S   N    _N33    68     1.38974   111.44931    61.19056
   50    49 S   H    _H74    69     1.01684   119.48795     1.21402
   51    47 S   CM   _C17    44     1.34071   123.13710   179.97202
   52    51 S   HC   _H50    45     1.08764   120.09376    -0.04423
   53    49 S   CM   _C5_    70     1.36358   123.71596  -178.70729
   54    51 S   CT   _C30    46     1.50053   123.69486   179.98022
   55    54 S   HC   _H68    47     1.08195   107.59469    -0.00000
   56    53 S   CM   _C4_    71     1.34211   121.52268    29.95207
   57    56 S   HC   _H42    72     1.09068   118.36893    -0.39267
   58    54 S   CT   _C27    48     1.53000   109.90167   118.45791
   59    58 S   HC   _H63    49     1.09004   111.16083    53.24544
   60    58 S   HC   _H64    50     1.09141   108.80358   -64.44386
   61    56 S   CT   _C32    73     1.51470   125.74591   179.25140
   62    58 S   CT   _C25    51     1.52657   111.64534   176.20811
   63    62 S   HC   _H59    52     1.09590   109.74643  -175.82627
   64    62 S   HC   _H60    53     1.09482   109.63902    67.18508
   65    61 S   C3T  _C31    74     1.50641   114.39761     5.98628
   66    65 S   HC   _H69    75     1.08195   114.92019  -160.15385
   67    61 S   CM   _C18    81     1.50613   108.62029  -119.67120
   68    67 S   HC   _H51    82     1.08689   116.17411  -119.71480
   69    61 S   OH   _O40   109     1.43413   106.52241   124.92361
   70    69 S   HO   _H76   110     0.96760   106.05111    59.91391
   71    62 S   CT   _C24    54     1.52658   111.63967   -54.37923
   72    71 S   HC   _H57    55     1.09714   109.43858   175.94628
   73    71 S   HC   _H58    56     1.09570   109.59551   -67.08032
   74    65 S   C3T  _C29    76     1.50011   119.39025    -7.08227
   75    74 S   HC   _H67    77     1.08346   117.04442  -149.34310
   76    67 S   CM   _C14    83     1.34137   123.57790    60.01362
   77    76 S   HC   _H47    84     1.08677   119.64207    -1.77674
   78    71 S   CT   _C26    57     1.52549   111.55501    54.58788
   79    78 S   HC   _H61    58     1.09544   109.46062    66.82902
   80    78 S   HC   _H62    59     1.09703   109.51225  -176.46055
   81    53 S   CO4  _C8_    78     1.48790   116.99336  -149.61458
   82    81 S   O    _O34    79     1.22519   122.35788    -2.23099
   83    65 S   O3T  _O38    80     1.43596   115.56645    59.65646
   84    76 S   CM   _C11    85     1.44697   125.35308  -178.52833
   85    84 S   HC   _H44    86     1.08831   114.66822     3.11175
   86    54 S   CT   _C28    60     1.52956   109.94142  -118.44448
   87    86 S   HC   _H65    61     1.09355   109.05597    64.10221
   88    86 S   HC   _H66    62     1.09220   111.06796   -53.31590
   89    84 S   CM   _C10    87     1.34193   125.19724   179.96574
   90    89 S   HC   _H43    88     1.08775   120.12589     1.23875
   91    89 S   CM   _C12    89     1.44732   122.96060  -178.56701
   92    91 S   HC   _H45    90     1.08728   116.73001     0.12667
   93    91 S   CM   _C13    91     1.34018   122.69064   180.00000
   94    93 S   HC   _H46    92     1.08577   121.32710     0.09279
   95    93 S   C    _C20    93     1.49047   120.21687  -179.93147
   96    95 S   O    _O36    94     1.22765   122.31753     0.10468
   97    95 S   N    _N32    95     1.38678   111.70176  -179.98022
   98    97 S   H    _H73    96     1.01698   120.08762     0.10835
   99    97 S   CM   _C6_    97     1.36485   123.47840  -179.97202
  100    99 S   CM   _C7_    98     1.33072   129.58920    30.05707
  101   100 S   CT   _C22    99     1.49340   115.28287   179.96574
  102   101 S   HC   _H53   100     1.09563   111.25929   119.50009
  103   101 S   HC   _H54   101     1.09493   111.23606  -119.55771
  104   100 S   OH   _O39   107     1.36889   125.01555    -0.01978
  105   104 S   HO   _H75   108     0.96619   110.46867   179.96044
  106   101 S   CT   _C23   102     1.52912   104.19251     0.00000
  107   106 S   HC   _H55   103     1.09316   111.44494  -118.05425
  108   106 S   HC   _H56   104     1.09319   111.46178   118.11651
  109    99 S   CO4  _C9_   105     1.46912   124.18585  -149.96706
  110   109 S   O    _O35   106     1.22217   124.13114     0.07402
  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   9   5   4   3
  12   7   2   1   1  10   4   8   4   3   6   3   6   3   7   3
   8   3  11   4  11  14   8  13   5  12   6   5  13   9   5   4
  11   6  10   4   4   1   8   5   4   4   3   6   3   5   4   3
   2   1   1   6   3   2   1   1   6   3   6   3   6   3   6   3
   8   3  11  10   9   6   5   3   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    49  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    49    50    53    43  
   42    45    46    49  
   45    46    49  
   44    47    48    51    52    54  
   47    48    51  
   46    49    50    53    56    81  
   49    50    53  
   48    51    52    54    55    58    86  
   51    52    54  
   50    53    56    57    61    74    81    82  
   53    56    81  
   52    54    55    58    59    60    62    78    86    87    88  
   54    55    58    86  
   56    57    61    65    74    75    81    82    83    67    69  
   55    58    59    60    62    63    64    71    78    79    80    86    87    88  
   58    59    60    62    78    86    87    88  
   57    61    65    66    74    81    82    83    67    68    76    69    70  
   61    65    81    67    69  
   59    60    62    63    64    71    72    73    78    86    87    88  
   60    62    63    64    71    86  
   62    63    64    71    86  
   65    66    74    75    81    83    67    68    76    77    84    69    70  
   63    64    71    72    73    78    79    80    86  
   64    71    72    73    78  
   71    72    73    78  
   66    74    75    81    82    83    67    68    76    69    70  
   74    75    81    83    67    69  
   68    76    77    84    85    89    69    70    74    83  
   76    77    84    69  
   70    74    76    83  
    0  
   72    73    78    79    80    86    87    88  
   73    78    79    80    86  
   78    79    80    86  
   75    81    82    83  
   81    82    83  
   77    84    85    89    90    91  
   84    85    89  
   79    80    86    87    88  
   80    86    87    88  
   86    87    88  
   82    83  
   83  
    0  
   85    89    90    91    92    93  
   89    90    91  
   87    88  
   88  
    0  
   90    91    92    93    94    95  
   91    92    93  
   92    93    94    95    96    97  
   93    94    95  
   94    95    96    97    98    99  
   95    96    97  
   96    97    98    99   100   109  
   97    98    99  
   98    99   100   101   106   109   110   104  
   99   100   109  
  100   101   102   103   106   107   108   109   110   104   105  
  101   102   103   106   107   108   109   110   104   105  
  102   103   106   107   108   109   110   104   105  
  103   106   107   108   109   104  
  106   107   108   109   104  
  105   106   109  
    0  
  107   108   109   110  
  108   109   110  
  109   110  
  110  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   83   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   97   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   98   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   99   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
  100   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
  105   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
  106   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  108   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  109   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  110   2.9600   0.2100  -0.470000   1.6780   1.4800   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    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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   380.000  1.444
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    52   340.000  1.080
   51    54   317.000  1.510
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    86   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    49   490.000  1.335
   49    50   434.000  1.010
   49    53   400.000  1.384
   53    56   549.000  1.340
   53    81   320.000  1.462
   56    57   340.000  1.080
   56    61   317.000  1.510
   61    65   275.000  1.510
   61    67   317.000  1.510
   61    69   320.000  1.410
   65    66   340.000  1.088
   65    74   260.000  1.509
   65    83   335.000  1.432
   74    75   340.000  1.088
   74    81   290.000  1.496
   74    83   335.000  1.432
   81    82   570.000  1.229
   67    68   340.000  1.080
   67    76   549.000  1.340
   76    77   340.000  1.080
   76    84   380.000  1.444
   84    85   340.000  1.080
   84    89   549.000  1.340
   89    90   340.000  1.080
   89    91   380.000  1.444
   91    92   340.000  1.080
   91    93   549.000  1.340
   93    94   340.000  1.080
   93    95   410.000  1.444
   95    96   570.000  1.229
   95    97   490.000  1.335
   97    98   434.000  1.010
   97    99   400.000  1.384
   99   100   549.000  1.340
   99   109   320.000  1.462
  100   101   317.000  1.510
  100   104   510.000  1.338
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   106   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   317.000  1.522
  109   110   570.000  1.229
  104   105   553.000  0.945
   69    70   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    51    70.00000  123.01800
   47    43    44    35.00000  120.00000
   47    51    52    35.00000  120.00000
   47    51    54    70.00000  124.00000
   51    47    48    35.00000  120.00000
   51    54    55    35.00000  109.50000
   51    54    58    70.00000  112.02700
   51    54    86    70.00000  112.02700
   54    51    52    35.00000  117.00000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    86    78    58.35000  112.70000
   54    86    87    37.50000  110.70000
   54    86    88    37.50000  110.70000
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    71    58.35000  112.70000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    71    72    37.50000  110.70000
   62    71    73    37.50000  110.70000
   62    71    78    58.35000  112.70000
   64    62    63    33.00000  107.80000
   71    62    63    37.50000  110.70000
   71    62    64    37.50000  110.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    86    58.35000  112.70000
   73    71    72    33.00000  107.80000
   78    71    72    37.50000  110.70000
   78    71    73    37.50000  110.70000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   80    78    79    33.00000  107.80000
   86    54    55    37.50000  110.70000
   86    54    58    58.35000  112.70000
   86    78    79    37.50000  110.70000
   86    78    80    37.50000  110.70000
   88    86    87    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    49    70.00000  116.60000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    49    50    35.00000  119.80000
   45    49    53    70.00000  120.89900
   49    45    46    80.00000  122.90000
   49    53    56    75.00000  120.83300
   49    53    81    70.00000  117.92000
   53    49    50    45.00000  117.55000
   53    56    57    35.00000  120.00000
   53    56    61    70.00000  124.00000
   53    81    74    65.00000  118.62400
   53    81    82    80.00000  123.72100
   56    61    65    70.00000  112.02700
   56    61    67    70.00000  110.12100
   56    61    69    90.00000  110.39200
   61    56    57    35.00000  117.00000
   61    65    66    40.00000  115.04500
   61    65    74    60.00000  120.94000
   61    65    83    80.00000  116.47100
   61    67    68    35.00000  117.00000
   61    67    76    70.00000  124.00000
   61    69    70    55.00000  108.50000
   65    74    75    37.50000  117.20000
   65    74    81    65.00000  117.18000
   65    74    83    15.00000   60.43100
   65    83    74    15.00000   59.14900
   74    65    66    37.50000  117.20000
   74    81    82    75.00000  121.36600
   81    53    56    65.00000  118.96000
   81    74    75    40.00000  116.18000
   83    65    66    50.00000  114.27700
   83    65    74    15.00000   60.43100
   83    74    75    50.00000  114.27700
   83    74    81    80.00000  114.91000
   67    61    65    70.00000  112.02700
   67    76    77    35.00000  120.00000
   67    76    84    70.00000  123.01800
   76    67    68    35.00000  120.00000
   76    84    85    35.00000  120.00000
   76    84    89    70.00000  123.01800
   84    76    77    35.00000  120.00000
   84    89    90    35.00000  120.00000
   84    89    91    70.00000  123.01800
   89    84    85    35.00000  120.00000
   89    91    92    35.00000  120.00000
   89    91    93    70.00000  123.01800
   91    89    90    35.00000  120.00000
   91    93    94    35.00000  120.00000
   91    93    95    70.00000  118.70000
   93    91    92    35.00000  120.00000
   93    95    96    80.00000  125.30000
   93    95    97    80.00000  111.56200
   95    93    94    35.00000  119.70000
   95    97    98    35.00000  119.80000
   95    97    99    70.00000  120.89900
   97    95    96    80.00000  122.90000
   97    99   100    75.00000  120.83300
   97    99   109    70.00000  117.92000
   99    97    98    45.00000  117.55000
   99   100   101    70.00000  124.00000
   99   100   104    80.00000  121.38400
   99   109   106    65.00000  118.62400
   99   109   110    80.00000  123.72100
  100   101   102    35.00000  109.50000
  100   101   103    35.00000  109.50000
  100   101   106    70.00000  112.02700
  100   104   105    70.00000  107.45700
  101   106   107    37.50000  110.70000
  101   106   108    37.50000  110.70000
  101   106   109    63.00000  111.10000
  103   101   102    33.00000  107.80000
  106   101   102    37.50000  110.70000
  106   101   103    37.50000  110.70000
  106   109   110    80.00000  120.40000
  108   106   107    33.00000  107.80000
  109    99   100    65.00000  118.96000
  109   106   107    35.00000  109.50000
  109   106   108    35.00000  109.50000
  104   100   101    90.00000  109.34000
   69    61    65    50.00000  109.50000
   69    61    67    90.00000  110.39200
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
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   69    61    65    83  -1.82950 -1.0 2.0
   69    61    67    68   0.00000  1.0 1.0
   69    61    67    76   0.67800  1.0 1.0
   69    61    67    76   0.47050 -1.0 2.0
   69    61    67    76  -0.62500  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   43    48    47    51  15.00000 -1.0 2.0
   54    52    51    47  15.00000 -1.0 2.0
   40    49    45    46  10.50000 -1.0 2.0
   50    45    49    53   1.00000 -1.0 2.0
   49    81    53    56   1.10000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   53    74    81    82  10.50000 -1.0 2.0
   61    68    67    76  15.00000 -1.0 2.0
   84    77    76    67  15.00000 -1.0 2.0
   76    85    84    89  15.00000 -1.0 2.0
   91    90    89    84  15.00000 -1.0 2.0
   89    92    91    93  15.00000 -1.0 2.0
   95    94    93    91  15.00000 -1.0 2.0
   93    97    95    96  10.50000 -1.0 2.0
   98    95    97    99   1.00000 -1.0 2.0
   97   109    99   100   1.10000 -1.0 2.0
  101   104   100    99   1.10000 -1.0 2.0
   99   106   109   110  10.50000 -1.0 2.0
END
