* LIGAND DATABASE FILE (OPLS2005)
*
001     109   113    199    325     600
    1     0 S   NP   _N1_     1    29.17032    95.69760   -20.62509
    2     1 S   H    _HN1     2     1.02794    85.99914   -69.65870
    3     1 S   H    _H1_     3     1.02954    87.44842    38.82748
    4     1 S   H    _H2_     4     1.02843    36.40805   162.67174
    5     1 S   CT   _CA1     5     1.50039   147.20469   164.26665
    6     5 S   HC   _HA1     6     1.09592   105.23384    58.13853
    7     5 S   CO3  _C1_     7     1.53457   112.51598   -61.95963
    8     7 S   O2Z  _O11     8     1.26345   115.45748   -47.08743
    9     7 S   O2Z  _O12     9     1.26210   114.85718   132.40064
   10     5 S   CT   _CB1    10     1.52995   107.49922   175.78713
   11    10 S   HC   HB11    11     1.09820   108.88665   -53.74222
   12    10 S   HC   HB12    12     1.09829   110.50764    62.54233
   13    10 S   CT   _CG1    13     1.53125   112.98076  -175.12737
   14    13 S   HC   HG11    14     1.09629   110.33452   -66.41982
   15    13 S   HC   HG12    15     1.09640   110.24949    52.91355
   16    13 S   C    _CD1    16     1.51795   111.90564   172.79274
   17    16 S   O    _OE1    17     1.22776   123.08979   -10.44404
   18    16 S   N    _N2_    18     1.38605   112.00358   170.48702
   19    18 S   H    _HN2    19     1.01621   119.24499     0.60328
   20    18 S   CT1  _CA2    20     1.46349   123.00541   179.42291
   21    20 S   HC   _HA2    21     1.09733   109.26815   -12.12891
   22    20 S   C    _C2_    22     1.53436   108.35666  -127.58451
   23    22 S   O    _O2_    23     1.22992   122.13684  -149.94628
   24    20 S   CT   _CB2    32     1.53424   111.59541   109.77118
   25    24 S   HC   HB21    33     1.09306   109.54955    58.56036
   26    24 S   HC   HB22    34     1.09502   110.77348   176.93976
   27    22 S   N    _N3_    24     1.38450   113.25354    37.38187
   28    27 S   H    _HN3    25     1.01582   118.82247    -2.21532
   29    24 S   S    _SG2    35     1.82780   111.49072   -63.28220
   30    27 S   CT   _CA3    26     1.45435   124.26924   178.65914
   31    30 S   HC   HA31    27     1.09504   107.05493  -107.78973
   32    30 S   HC   HA32    28     1.09450   109.85081     9.29868
   33    29 S   CT   _C8_    36     1.83537   100.14757   142.43494
   34    33 S   HC   _H5_    37     1.09471   104.32458   -45.10472
   35    30 S   CO3  _C3_    29     1.52993   112.17577   133.21827
   36    35 S   O2Z  _O31    30     1.26400   115.24587    49.06951
   37    35 S   O2Z  _O32    31     1.26410   115.09857  -130.62480
   38    33 S   CT   _C9_    38     1.53992   114.83417    74.23115
   39    38 S   HC   _H6_    39     1.09976   105.59021   -62.44657
   40    33 S   OS   _O33    54     1.42688   109.95329  -159.50112
   41    38 S   CO4  _C13    40     1.52356   115.90696    54.42778
   42    41 S   O    _O35    41     1.22431   125.01718     0.85226
   43    41 S   OS   _O34    42     1.36436   113.70306  -178.28982
   44    43 S   CT   _C12    43     1.43894   118.65186    -8.50921
   45    44 S   HC   _H17    44     1.09482   107.41155  -167.79584
   46    44 S   HC   _H18    45     1.09558   109.45766    75.91903
   47    44 S   CT   _C11    46     1.52185   109.88337   -48.27601
   48    47 S   HC   _H15    47     1.09649   109.42160   178.36781
   49    47 S   HC   _H16    48     1.09382   107.00026   -66.72096
   50    38 S   CT   _C10    49     1.54979   110.84607   178.74664
   51    50 S   CT   _C6_    50     1.56249   113.00267   -44.06133
   52    51 S   HC   _H3_    51     1.10028   107.14963   160.55100
   53    50 S   OH   _O36   108     1.44213   106.94085    71.83643
   54    53 S   HO   _H19   109     0.97331   108.49897    59.24077
   55    51 S   CO   _C7_    52     1.54873   111.60524    43.86592
   56    55 S   HC   _H4_    53     1.09717   108.53304  -168.25134
   57    51 S   CM   _C5_   103     1.51702   114.56666   -79.06665
   58    57 S   HC   _H14   104     1.08685   118.14902    63.13292
   59    55 S   OS   _O37    55     1.43617   109.82515    74.23076
   60    57 S   CM   _C4_   105     1.33885   123.82619  -118.50983
   61    60 S   HC   _H12   106     1.08482   120.45016  -179.18916
   62    60 S   HC   _H13   107     1.08450   121.65302     0.85363
   63    59 S   CO   _C14    56     1.43557   112.88773   170.15364
   64    63 S   HC   _H7_    57     1.09801   108.54997    53.93544
   65    63 S   CT   _C15    58     1.53728   107.79568   173.01382
   66    65 S   HC   _H8_    59     1.09812   109.34983    52.48357
   67    65 S   CT   _C16    60     1.53621   110.47945   174.59115
   68    67 S   HC   _H9_    61     1.09514   109.60379    75.00416
   69    65 S   OS   _O42    76     1.45085   107.96426   -66.29991
   70    67 S   CT   _C17    62     1.53161   112.07921   -47.82546
   71    70 S   HC   _H10    63     1.09713   108.89268   -72.33979
   72    67 S   OH   _O41    74     1.42853   110.28672  -169.05589
   73    72 S   HO   _H24    75     0.97230   108.36678    55.27480
   74    69 S   CO4  _C20    77     1.35716   117.41391   152.30272
   75    74 S   O    _O43    78     1.21808   128.53149    -2.50499
   76    70 S   CT   _C18    64     1.52975   110.88771    48.86735
   77    76 S   HC   _H11    65     1.09804   111.18333    64.33993
   78    70 S   OH   _O40    72     1.42596   109.78833   170.92959
   79    78 S   HO   _H23    73     0.97583   108.03509   -60.19995
   80    74 S   CA   _C21    79     1.47414   107.71406   177.21596
   81    63 S   OS   _O38    66     1.42830   110.47367   -67.02651
   82    76 S   CT   _C19    67     1.52936   111.57169  -174.71873
   83    82 S   HC   _H20    68     1.09500   111.02189    68.71208
   84    82 S   HC   _H21    69     1.09401   111.52011   -53.68404
   85    80 S   CA   _C22    80     1.41230   120.03687  -114.89037
   86    82 S   OH   _O39    70     1.42515   109.07718  -172.65252
   87    86 S   HO   _H22    71     0.97231   106.99706  -179.09865
   88    85 S   CA   _C23    81     1.40893   118.04602  -178.18922
   89    88 S   HA   _H25    82     1.08884   119.86045  -179.47735
   90    85 S   CA   _C27    91     1.47168   123.18346     0.52039
   91    88 S   CA   _C24    83     1.39433   120.72277     1.35162
   92    90 S   CA   _C28    92     1.40694   120.04659  -108.94838
   93    92 S   HA   _H29    93     1.08828   120.27249     0.67027
   94    91 S   CA   _C25    84     1.38760   120.85641    -0.37378
   95    94 S   HA   _H26    85     1.08670   120.18607   179.62518
   96    91 S   OH   _O45    89     1.36553   121.17246   178.89784
   97    96 S   HO   _H28    90     0.97604   108.86176    12.85644
   98    92 S   CA   _C29    94     1.39632   121.00298  -179.57710
   99    98 S   HA   _H30    95     1.08610   119.97271  -179.88986
  100    80 S   CA   _C26    86     1.40277   119.46231    68.40363
  101    98 S   CA   _C30    96     1.39122   119.97238     0.01978
  102   101 S   HA   _H31    97     1.08603   119.99572  -179.84934
  103   100 S   OH   _O44    87     1.36628   123.36736    -1.37530
  104   103 S   HO   _H27    88     0.97273   110.24989    -4.88564
  105   101 S   CA   _C31    98     1.39136   119.48697    -0.02798
  106    90 S   CA   _C32    99     1.40368   121.46144    71.70055
  107   106 S   HA   _H32   100     1.08742   120.09603    -0.32746
  108   105 S   OH   _O46   101     1.36632   117.67725  -179.69674
  109   108 S   HO   _H33   102     0.97712   109.02351   175.33318
  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   8   5   4   3
  14   6   2   1   1  16   8   9   9   3   7   8   5   4   9   4
   3  10  12   7   3   1   9   3   5   3   8   2   1   1  13   6
  14   7  13   7   8  12   7   3   1   8   3   9   6   3   1  12
   4   4   3   2  14   1   1  10   4  11   6   8   4   6   3   2
   1   6   3   2   6   3   1   1   4   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    41    50    55    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    47    50    51    55    56    40    59    53  
   38    39    41    50    55    40  
   36    37  
   37  
    0  
   39    41    42    43    44    47    48    49    50    51    52    55    40    57    53    54  
   41    42    43    47    50    51    40    53  
   59    63    57    41    50    51    52    55    56  
   42    43    44    45    46    47    50    51    53  
   43    44    50  
   44    45    46    47    48    49    50  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    55    57    53    54  
   49    50    51    53  
   50    51    53  
   51    52    55    56    59    57    58    60    53    54  
   52    55    56    59    63    57    58    60    61    62    53    54  
   55    56    59    57    58    60    53  
   54    55    57  
    0  
   56    59    63    64    65    81    57    58    60  
   59    63    57  
   58    60    61    62    59  
   60    61    62  
   63    64    65    66    67    76    81    69  
   61    62  
   62  
    0  
   64    65    66    67    68    70    76    77    81    82    72    69    74  
   65    66    67    76    81    69  
   66    67    68    70    71    76    81    78    72    73    69    74    75    80  
   67    68    70    81    72    69    74  
   68    70    71    76    77    81    82    78    79    72    73    69    74  
   70    71    76    78    72    73    69  
   74    75    80    85   100    70    72    81  
   71    76    77    81    82    83    84    86    78    79    72    73  
   76    77    81    82    78    79    72  
   73    76    78  
    0  
   75    80    85    88    94   100   103    90  
   80    85   100  
   77    81    82    83    84    86    87    78    79  
   81    82    83    84    86    78  
   79    81    82  
    0  
   85    88    89    91    94    95   100   103   104    90    92   106  
   82    83    84    86  
   83    84    86    87  
   84    86    87  
   86    87  
   88    89    91    94   100   103    96    90    92    93    98   105   106   107  
   87  
    0  
   89    91    94    95   100    96    97    90    92   106  
   91    94    96    90  
   92    93    98    99   101   105   106   107   108    91   100  
   94    95   100   103    96    97  
   93    98    99   101   102   105   106   107  
   98    99   101   106  
   95   100   103   104    96    97  
  100   103    96  
   97   100  
    0  
   99   101   102   105   106   108  
  101   102   105  
  103   104  
  102   105   106   107   108   109  
  105   106   108  
  104  
    0  
  106   107   108   109  
  107   108   109  
  108  
  109  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   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   0.265000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   91   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   92   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   94   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   96   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  100   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  101   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  102   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  103   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  104   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
  105   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  106   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  107   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  108   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  109   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    50   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   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   320.000  1.410
   51    52   340.000  1.090
   51    55   250.000  1.527
   51    57   317.000  1.510
   55    56   340.000  1.090
   55    40   320.000  1.380
   55    59   320.000  1.380
   59    63   320.000  1.380
   63    64   340.000  1.090
   63    65   250.000  1.527
   63    81   320.000  1.380
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    69   320.000  1.410
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    72   320.000  1.410
   70    71   340.000  1.090
   70    76   268.000  1.529
   70    78   320.000  1.410
   76    77   340.000  1.090
   76    81   320.000  1.410
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    86   320.000  1.410
   86    87   553.000  0.945
   78    79   553.000  0.945
   72    73   553.000  0.945
   69    74   214.000  1.327
   74    75   570.000  1.229
   74    80   310.000  1.470
   80    85   469.000  1.400
   80   100   469.000  1.400
   85    88   469.000  1.400
   85    90   375.000  1.464
   88    89   367.000  1.080
   88    91   469.000  1.400
   91    94   469.000  1.400
   91    96   450.000  1.364
   94    95   367.000  1.080
   94   100   469.000  1.400
  100   103   450.000  1.364
  103   104   553.000  0.945
   96    97   553.000  0.945
   90    92   469.000  1.400
   90   106   469.000  1.400
   92    93   367.000  1.080
   92    98   469.000  1.400
   98    99   367.000  1.080
   98   101   469.000  1.400
  101   102   367.000  1.080
  101   105   469.000  1.400
  105   106   469.000  1.400
  105   108   450.000  1.364
  106   107   367.000  1.080
  108   109   553.000  0.945
   57    58   340.000  1.080
   57    60   549.000  1.340
   60    61   340.000  1.080
   60    62   340.000  1.080
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    50    58.35000  112.70000
   33    40    55    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    81.00000  111.40000
   38    50    47    58.35000  112.70000
   38    50    51    58.35000  112.70000
   38    50    53    50.00000  109.50000
   41    38    39    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   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    50.00000  109.50000
   49    47    48    33.00000  107.80000
   50    38    39    37.50000  110.70000
   50    38    41    63.00000  111.10000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    55    75.00000  109.43000
   50    51    57    70.00000  112.02700
   50    53    54    55.00000  108.50000
   51    55    56    45.00000  112.01100
   51    55    40    90.00000  108.56700
   51    55    59    90.00000  108.56700
   51    57    58    35.00000  117.00000
   51    57    60    70.00000  124.00000
   55    51    52    45.00000  108.72000
   55    59    63   100.00000  109.58800
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    55    56    35.00000  109.50000
   59    55    56    35.00000  109.50000
   59    55    40    92.60000  111.55000
   59    63    64    35.00000  109.50000
   59    63    65    90.00000  108.56700
   59    63    81    92.60000  111.55000
   63    65    66    45.00000  108.72000
   63    65    67    75.00000  109.43000
   63    65    69    90.00000  109.38000
   63    81    76    60.00000  109.50000
   65    63    64    45.00000  112.01100
   65    67    68    37.50000  110.70000
   65    67    70    58.35000  112.70000
   65    67    72    50.00000  109.50000
   65    69    74    83.00000  116.90000
   67    65    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    76    58.35000  112.70000
   67    70    78    50.00000  109.50000
   67    72    73    55.00000  108.50000
   70    67    68    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    81    50.00000  109.50000
   70    76    82    58.35000  112.70000
   70    78    79    55.00000  108.50000
   76    70    71    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    86    50.00000  109.50000
   81    63    64    35.00000  109.50000
   81    63    65    90.00000  108.56700
   81    76    77    35.00000  109.50000
   82    76    77    37.50000  110.70000
   82    76    81    50.00000  109.50000
   82    86    87    55.00000  108.50000
   84    82    83    33.00000  107.80000
   86    82    83    35.00000  109.50000
   86    82    84    35.00000  109.50000
   78    70    71    35.00000  109.50000
   78    70    76    50.00000  109.50000
   72    67    68    35.00000  109.50000
   72    67    70    50.00000  109.50000
   69    65    66    35.00000  109.50000
   69    65    67    50.00000  109.50000
   69    74    75    83.00000  123.40000
   69    74    80    81.00000  111.40000
   74    80    85    60.00000  119.52600
   74    80   100    60.00000  119.52600
   80    74    75    75.00000  123.78400
   80    85    88    63.00000  120.00000
   80    85    90    60.00000  122.76000
   80   100    94    63.00000  120.00000
   80   100   103    70.00000  120.00000
   85    88    89    35.00000  120.00000
   85    88    91    63.00000  120.00000
   85    90    92    60.00000  122.76000
   85    90   106    60.00000  122.76000
   88    91    94    63.00000  120.00000
   88    91    96    70.00000  120.00000
   91    88    89    35.00000  120.00000
   91    94    95    35.00000  120.00000
   91    94   100    63.00000  120.00000
   91    96    97    35.00000  113.00000
   94   100   103    70.00000  120.00000
  100    80    85    63.00000  120.00000
  100    94    95    35.00000  120.00000
  100   103   104    35.00000  113.00000
   96    91    94    70.00000  120.00000
   90    85    88    60.00000  122.76000
   90    92    93    35.00000  120.00000
   90    92    98    63.00000  120.00000
   90   106   105    63.00000  120.00000
   90   106   107    35.00000  120.00000
   92    98    99    35.00000  120.00000
   92    98   101    63.00000  120.00000
   98    92    93    35.00000  120.00000
   98   101   102    35.00000  120.00000
   98   101   105    63.00000  120.00000
  101    98    99    35.00000  120.00000
  101   105   106    63.00000  120.00000
  101   105   108    70.00000  120.00000
  105   101   102    35.00000  120.00000
  105   106   107    35.00000  120.00000
  105   108   109    35.00000  113.00000
  106    90    92    63.00000  120.00000
  108   105   106    70.00000  120.00000
   57    51    52    35.00000  109.50000
   57    51    55    70.00000  112.02700
   57    60    61    35.00000  120.00000
   57    60    62    35.00000  120.00000
   60    57    58    35.00000  120.00000
   62    60    61    35.00000  117.00000
   53    50    51    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
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   98   101   105   108   3.62500 -1.0 2.0
   99    98   101   102   3.62500 -1.0 2.0
   99    98   101   105   3.62500 -1.0 2.0
  101   105  -106    90   3.62500 -1.0 2.0
  101   105   106   107   3.62500 -1.0 2.0
  101   105   108   109   0.84100 -1.0 2.0
  102   101   105   106   3.62500 -1.0 2.0
  102   101   105   108   3.62500 -1.0 2.0
  106    90    92    93   3.62500 -1.0 2.0
  106    90   -92    98   3.62500 -1.0 2.0
  106   105   108   109   0.84100 -1.0 2.0
  108   105   106    90   3.62500 -1.0 2.0
  108   105   106   107   3.62500 -1.0 2.0
   57    51    55    56   0.15000  1.0 3.0
   57    51    55    40   0.61850  1.0 1.0
   57    51    55    40  -0.22750 -1.0 2.0
   57    51    55    40   0.15300  1.0 3.0
   57    51    55    59   0.61850  1.0 1.0
   57    51    55    59  -0.22750 -1.0 2.0
   57    51    55    59   0.15300  1.0 3.0
   58    57    60    61   7.00000 -1.0 2.0
   58    57    60    62   7.00000 -1.0 2.0
   53    50    51    52   0.23400  1.0 3.0
   53    50    51    55   0.86500  1.0 1.0
   53    50    51    55  -0.17500 -1.0 2.0
   53    50    51    55   0.20800  1.0 3.0
   53    50    51    57   1.05650  1.0 1.0
   53    50    51    57   0.15600 -1.0 2.0
   53    50    51    57   0.53150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   69    80    74    75  10.50000 -1.0 2.0
   85   100    80    74   4.00000 -1.0 2.0
   88    90    85    80   4.00000 -1.0 2.0
   91    89    88    85   1.10000 -1.0 2.0
   94    96    91    88   4.00000 -1.0 2.0
  100    95    94    91   1.10000 -1.0 2.0
   94   103   100    80   4.00000 -1.0 2.0
   92   106    90    85   4.00000 -1.0 2.0
   98    93    92    90   1.10000 -1.0 2.0
  101    99    98    92   1.10000 -1.0 2.0
  105   102   101    98   1.10000 -1.0 2.0
  106   108   105   101   4.00000 -1.0 2.0
  105   107   106    90   1.10000 -1.0 2.0
   51    58    57    60  15.00000 -1.0 2.0
   61    62    60    57  15.00000 -1.0 2.0
END
