* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    200    326     599
    1     0 S   NP   _N1_     1    30.29951    99.46904   -18.45238
    2     1 S   H    _HN1     2     1.02971    72.91737    39.25721
    3     1 S   H    _H1_     3     1.02805    65.04124   158.04240
    4     1 S   H    _H2_     4     1.02757    68.95192   -78.90990
    5     1 S   CT   _CA1     5     1.50225   175.60537   174.09485
    6     5 S   HC   _HA1     6     1.09586   105.12530    43.66733
    7     5 S   CO3  _C1_     7     1.53837   112.27639   -76.14642
    8     7 S   O2Z  _O11     8     1.26351   114.97531   -39.91618
    9     7 S   O2Z  _O12     9     1.26243   114.95904   138.50859
   10     5 S   CT   _CB1    10     1.53036   107.21446   161.38603
   11    10 S   HC   HB11    11     1.09826   109.19245   -49.91627
   12    10 S   HC   HB12    12     1.09763   110.42727    66.49197
   13    10 S   CT   _CG1    13     1.52906   112.75008  -170.95261
   14    13 S   HC   HG11    14     1.09538   110.57118   -64.85053
   15    13 S   HC   HG12    15     1.09599   109.77479    54.30875
   16    13 S   C    _CD1    16     1.51794   112.43505   173.76895
   17    16 S   O    _OE1    17     1.22742   123.32708    -6.92311
   18    16 S   N    _N2_    18     1.38601   111.63015   174.62881
   19    18 S   H    _HN2    19     1.01717   118.96215     0.06256
   20    18 S   CT1  _CA2    20     1.46025   123.32692   176.16508
   21    20 S   HC   _HA2    21     1.09730   109.46382    -6.57489
   22    20 S   C    _C2_    22     1.53567   107.94388  -121.66727
   23    22 S   O    _O2_    23     1.23048   122.45224  -146.59574
   24    20 S   CT   _CB2    32     1.53253   111.91943   115.91232
   25    24 S   HC   HB21    33     1.09070   109.74656    53.82054
   26    24 S   HC   HB22    34     1.09530   110.15546   171.16464
   27    22 S   N    _N3_    24     1.38435   113.55161    41.18218
   28    27 S   H    _HN3    25     1.01623   119.45114    -2.98590
   29    24 S   S    _SG2    35     1.83015   112.50760   -70.94326
   30    27 S   CT   _CA3    26     1.45301   123.01612   175.96425
   31    30 S   HC   HA31    27     1.09536   107.51579   -68.77935
   32    30 S   HC   HA32    28     1.09558   108.06350    47.51919
   33    29 S   CT   _C22    36     1.86711   101.74541   115.19035
   34    30 S   CO3  _C3_    29     1.52869   113.89572   170.41019
   35    34 S   O2Z  _O31    30     1.26367   115.86258    21.83173
   36    34 S   O2Z  _O32    31     1.26397   114.59683  -158.23497
   37    33 S   CM   _C13    37     1.56118   106.47487  -164.33798
   38    33 S   CT   _C21    66     1.58271   113.29882    75.01745
   39    33 S   OH   _O34   104     1.43031   108.92830   -45.89998
   40    39 S   HO   _H14   105     0.97430   106.87121   -67.13402
   41    37 S   CMA  _C12    38     1.36900   124.80577    92.35323
   42    41 S   OM   _O38    39     1.26779   126.05941   -11.90476
   43    38 S   OH   _O35    67     1.44029   111.11825    30.94665
   44    43 S   HO   _H15    68     0.97338   107.16256   -55.24075
   45    41 S   CA   _C11    40     1.53155   114.91153   164.68851
   46    45 S   CA   _C6_    41     1.41461   121.02577    23.29765
   47    46 S   CA   _C7_    42     1.41115   120.54366   178.83232
   48    47 S   HA   _H9_    43     1.08749   120.45756  -178.46698
   49    46 S   CT   _C5_    51     1.51221   119.55597     0.69041
   50    47 S   CA   _C8_    44     1.38978   121.17667     1.45911
   51    50 S   HA   _H10    45     1.08553   120.25325   179.63738
   52    37 S   CT   _C14    52     1.51645   111.85544   -92.10767
   53    52 S   HC   _H3_    53     1.09753   108.58003    45.06746
   54    49 S   CT   _C4_    98     1.54022   108.73000    88.20459
   55    54 S   HC   _H6_    99     1.09628   110.81908   178.79309
   56    54 S   HC   _H7_   100     1.09692   110.86808    61.22225
   57    54 S   HC   _H8_   101     1.09502   112.68897   -59.78693
   58    49 S   OH   _O40   102     1.43235   110.75266  -154.44518
   59    58 S   HO   _H34   103     0.97242   107.78062  -179.82641
   60    50 S   CA   _C9_    46     1.38531   119.42947    -0.26244
   61    60 S   HA   _H11    47     1.08658   119.78517   179.57849
   62    52 S   CT   _C15    54     1.54342   108.09746   -70.07888
   63    62 S   HC   _H12    55     1.09816   108.43509   162.77320
   64    62 S   HC   _H13    56     1.09621   110.11595   -82.00518
   65    45 S   CA   _C10    48     1.41945   122.46295  -156.08571
   66    62 S   CT   _C16    57     1.56364   113.28753    43.04063
   67    66 S   HC   _H4_    58     1.10104   105.39392   132.28294
   68    65 S   OH   _O39    49     1.37389   123.30399     1.18134
   69    68 S   HO   _H33    50     0.97556   107.75682    -4.06226
   70    66 S   CT   _C17    59     1.57109   112.10646  -110.89620
   71    70 S   HC   _H5_    60     1.10182   104.84923    47.19988
   72    70 S   CMA  _C18    61     1.56498   114.69104   162.27957
   73    72 S   OM   _O37    62     1.26669   111.68211  -179.32334
   74    70 S   NT   _N6_    89     1.49317   105.53323   -66.00738
   75    72 S   CM   _C19    63     1.35520   119.71165    -3.35614
   76    74 S   CT   _C29    90     1.45958   115.23574   -86.14018
   77    76 S   HC   _H27    91     1.09613   109.91105   167.05943
   78    76 S   HC   _H28    92     1.09445   111.90574    49.36117
   79    76 S   HC   _H29    93     1.09486   112.86687   -72.97196
   80    74 S   CT   _C30    94     1.45908   114.04062   142.82113
   81    80 S   HC   _H30    95     1.09613   110.07727  -168.55242
   82    80 S   HC   _H31    96     1.09377   113.24911    70.96689
   83    80 S   HC   _H32    97     1.09572   110.95887   -51.38341
   84    75 S   CO4  _C20    64     1.48702   122.52910    -4.28898
   85    84 S   O    _O33    65     1.23135   119.76744   161.10980
   86    75 S   C    _C23    69     1.49259   119.10298  -174.73285
   87    86 S   O    _O36    70     1.22486   122.24817   -90.86437
   88    86 S   N    _N4_    71     1.38243   110.84806    91.37606
   89    88 S   H    _H16    72     1.01552   119.30707    -2.42479
   90    88 S   CT   _C24    73     1.44205   123.10075   175.67034
   91    90 S   HC   _H17    74     1.09626   106.23387   -72.02293
   92    90 S   HC   _H18    75     1.09657   109.63376    44.35007
   93    90 S   NT   _N5_    76     1.45674   108.86364   168.85905
   94    93 S   CT   _C25    77     1.46367   111.74827   170.47626
   95    94 S   HC   _H19    78     1.09756   111.83038    49.47996
   96    94 S   HC   _H20    79     1.09367   112.22895   -73.19312
   97    94 S   CT   _C26    80     1.51585   101.87645   167.21508
   98    97 S   HC   _H21    81     1.09393   112.51876  -158.94500
   99    97 S   HC   _H22    82     1.09644   110.40479    80.27280
  100    97 S   CT   _C27    83     1.52120   103.97017   -37.18132
  101   100 S   HC   _H23    84     1.09389   110.66495   138.69159
  102   100 S   HC   _H24    85     1.09572   110.64682  -101.80928
  103    93 S   CT   _C28    86     1.46891   113.14460   -70.82887
  104   103 S   HC   _H25    87     1.09483   111.45845    84.13231
  105   103 S   HC   _H26    88     1.09740   111.98496   -37.27114
  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
  19   2   1   1  19  19   6   1  11   4   8   2  13  17  10   4
  14   5   3  13   6   6   3   2   1   2   1   4   2   9   4   3
   2  11   5   1   1  15   6  10   4   9   7   7   3   2   1   3
   2   1   1   4   1   7   3   7   4  11   4   3  12  11   6   5
   8   5   4   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    52    66    84    38    43    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    49    52    53    62    66    67    70    75    84    85    38    43    44    39    40  
   35    36  
   36  
    0  
   41    42    45    46    65    49    52    53    62    63    64    66    84    38    43    54    58    39    40  
   43    44    86    74    39    40    41    52    62    63    64    66    67    70    71    72    75    84    85  
   40    41    43    52    66    84  
    0  
   42    45    46    47    60    65    68    49    52    53    62  
   45    46    65    52  
   44    62    66    67    70    75    84    85  
   66    84  
   46    47    48    50    60    61    65    68    69    49    52    54    58  
   47    48    50    51    60    65    68    49    52    53    62    54    55    56    57    58    59  
   48    50    51    60    61    65    49    52    54    58  
   50    51    60    49  
   52    53    62    63    64    66    54    55    56    57    58    59    50    65  
   51    60    61    65    68  
   60    61    65  
   53    62    63    64    66    67    70    54    55    56    57    58    59  
   62    63    64    66    54    58  
   55    56    57    58    59    62  
   56    57    58  
   57    58  
   58  
   59    62  
    0  
   61    65    68    69  
   65    68  
   63    64    66    67    70    71    72    84    74  
   64    66    67    70  
   66    67    70  
   68    69  
   67    70    71    72    73    75    84    85    74    76    80  
   70    71    72    84    74  
   69  
    0  
   71    72    73    75    84    86    74    76    77    78    79    80    81    82    83  
   72    73    75    74    76    80  
   73    75    84    85    86    87    88    74    76    80  
   75    84    86    74  
   76    77    78    79    80    81    82    83    75  
   84    85    86    87    88    89    90  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87    88  
   86  
   87    88    89    90    91    92    93  
   88    89    90  
   89    90    91    92    93    94   103  
   90    91    92    93  
   91    92    93    94    95    96    97   100   103   104   105  
   92    93    94   103  
   93    94   103  
   94    95    96    97    98    99   100   101   102   103   104   105  
   95    96    97    98    99   100   101   102   103   104   105  
   96    97    98    99   100   103  
   97    98    99   100   103  
   98    99   100   101   102   103   104   105  
   99   100   101   102   103  
  100   101   102   103  
  101   102   103   104   105  
  102   103   104   105  
  103   104   105  
  104   105  
  105  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   73   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   74   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   75   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   88   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   89   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   90   3.5000   0.0660   0.290000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   94   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0150   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    39   320.000  1.410
   37    41   465.000  1.376
   37    52   317.000  1.510
   41    42   745.000  1.250
   41    45   320.000  1.460
   45    46   469.000  1.400
   45    65   469.000  1.400
   46    47   469.000  1.400
   46    49   317.000  1.510
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    51   367.000  1.080
   50    60   469.000  1.400
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    68   450.000  1.364
   68    69   553.000  0.945
   49    52   268.000  1.529
   49    54   268.000  1.529
   49    58   320.000  1.410
   52    53   340.000  1.090
   52    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   268.000  1.529
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    38   268.000  1.529
   70    71   340.000  1.090
   70    72   270.000  1.512
   70    74   382.000  1.448
   72    73   745.000  1.250
   72    75   465.000  1.376
   75    84   320.000  1.462
   75    86   410.000  1.444
   84    85   570.000  1.229
   84    38   317.000  1.522
   38    43   320.000  1.410
   43    44   553.000  0.945
   86    87   570.000  1.229
   86    88   490.000  1.335
   88    89   434.000  1.010
   88    90   337.000  1.449
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   382.000  1.448
   93    94   382.000  1.448
   93   103   382.000  1.448
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
   74    76   382.000  1.448
   74    80   382.000  1.448
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   553.000  0.945
   39    40   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    41    70.00000  124.00000
   33    37    52    65.00000  117.92700
   33    38    66    58.35000  112.70000
   33    38    84    63.00000  111.10000
   33    38    43    50.00000  109.50000
   33    39    40    55.00000  108.50000
   37    41    42    65.00000  137.10300
   37    41    45    60.00000  123.20500
   37    52    49    70.00000  112.02700
   37    52    53    35.00000  109.50000
   37    52    62    70.00000  112.02700
   41    45    46    60.00000  120.93500
   41    45    65    60.00000  120.93500
   45    41    42    85.00000  114.86500
   45    46    47    63.00000  120.00000
   45    46    49    70.00000  120.00000
   45    65    60    63.00000  120.00000
   45    65    68    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    50    63.00000  120.00000
   46    49    52    70.00000  112.17500
   46    49    54    70.00000  112.17500
   46    49    58    90.00000  112.51600
   47    50    51    35.00000  120.00000
   47    50    60    63.00000  120.00000
   50    47    48    35.00000  120.00000
   50    60    61    35.00000  120.00000
   50    60    65    63.00000  120.00000
   60    50    51    35.00000  120.00000
   60    65    68    70.00000  120.00000
   65    45    46    63.00000  120.00000
   65    60    61    35.00000  120.00000
   65    68    69    35.00000  113.00000
   49    46    47    70.00000  120.00000
   49    52    53    37.50000  110.70000
   49    52    62    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   49    58    59    55.00000  108.50000
   52    37    41    70.00000  124.00000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    66    58.35000  112.70000
   62    52    53    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    70    58.35000  112.70000
   62    66    38    58.35000  112.70000
   64    62    63    33.00000  107.80000
   66    62    63    37.50000  110.70000
   66    62    64    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    72    70.00000  112.02700
   66    70    74    56.20000  109.47000
   66    38    84    63.00000  111.10000
   66    38    43    50.00000  109.50000
   70    66    67    37.50000  110.70000
   70    72    73    85.00000  112.85300
   70    72    75    65.00000  122.18000
   70    74    76    51.80000  107.20000
   70    74    80    51.80000  107.20000
   72    70    71    45.00000  110.52000
   72    75    84    60.00000  125.92000
   72    75    86    60.00000  120.04000
   75    72    73    65.00000  137.10300
   75    84    85    80.00000  123.72100
   75    84    38    65.00000  118.62400
   75    86    87    80.00000  125.30000
   75    86    88    80.00000  111.56200
   84    38    43    90.00000  109.61100
   38    33    37    70.00000  112.02700
   38    66    67    37.50000  110.70000
   38    66    70    58.35000  112.70000
   38    84    85    80.00000  120.40000
   38    43    44    55.00000  108.50000
   86    75    84    55.00000  123.68000
   86    88    89    35.00000  119.80000
   86    88    90    50.00000  121.90000
   88    86    87    80.00000  122.90000
   88    90    91    35.00000  109.50000
   88    90    92    35.00000  109.50000
   88    90    93    80.00000  116.76000
   90    88    89    38.00000  118.40000
   90    93    94    51.80000  107.20000
   90    93   103    51.80000  107.20000
   92    90    91    33.00000  107.80000
   93    90    91    35.00000  109.50000
   93    90    92    35.00000  109.50000
   93    94    95    35.00000  109.50000
   93    94    96    35.00000  109.50000
   93    94    97    56.20000  109.47000
   93   103   100    56.20000  109.47000
   93   103   104    35.00000  109.50000
   93   103   105    35.00000  109.50000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100   102    37.50000  110.70000
   97   100   103    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   103   104    37.50000  110.70000
  100   103   105    37.50000  110.70000
  102   100   101    33.00000  107.80000
  103    93    94    51.80000  107.20000
  103   100   101    37.50000  110.70000
  103   100   102    37.50000  110.70000
  105   103   104    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    72    75.00000  110.70900
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    35.00000  109.50000
   74    80    81    35.00000  109.50000
   74    80    82    35.00000  109.50000
   74    80    83    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    74    76    51.80000  107.20000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   54    49    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    49    52    50.00000  109.50000
   58    49    54    50.00000  109.50000
   39    33    37    90.00000  110.39200
   39    33    38    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
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   76    74    80    83   0.28000  1.0 3.0
   80    74    76    77   0.28000  1.0 3.0
   80    74    76    78   0.28000  1.0 3.0
   80    74    76    79   0.28000  1.0 3.0
   54    49    52    37   0.34400  1.0 1.0
   54    49    52    37   0.09450 -1.0 2.0
   54    49    52    37   0.11100  1.0 3.0
   54    49    52    53   0.15000  1.0 3.0
   54    49    52    62   0.56750  1.0 1.0
   54    49    52    62  -0.07550 -1.0 2.0
   54    49    52    62   0.20000  1.0 3.0
   54    49    58    59  -0.11600  1.0 1.0
   54    49    58    59  -0.09450 -1.0 2.0
   54    49    58    59   0.21250  1.0 3.0
   58    49    52    37   1.05650  1.0 1.0
   58    49    52    37   0.15600 -1.0 2.0
   58    49    52    37   0.53150  1.0 3.0
   58    49    52    53   0.23400  1.0 3.0
   58    49    52    62   0.86500  1.0 1.0
   58    49    52    62  -0.17500 -1.0 2.0
   58    49    52    62   0.20800  1.0 3.0
   58    49    54    55   0.23400  1.0 3.0
   58    49    54    56   0.23400  1.0 3.0
   58    49    54    57   0.23400  1.0 3.0
   39    33    37    41   0.67800  1.0 1.0
   39    33    37    41   0.47050 -1.0 2.0
   39    33    37    41  -0.62500  1.0 3.0
   39    33    37    52   0.18000  1.0 1.0
   39    33    37    52   0.16450 -1.0 2.0
   39    33    37    52   0.04450  1.0 3.0
   39    33    38    66   0.86500  1.0 1.0
   39    33    38    66  -0.17500 -1.0 2.0
   39    33    38    66   0.20800  1.0 3.0
   39    33    38    84  -0.09450  1.0 1.0
   39    33    38    84  -1.12950 -1.0 2.0
   39    33    38    84   0.54000  1.0 3.0
   39    33    38    43   3.75450  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    52    37    41   1.10000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   46    65    45    41   4.00000 -1.0 2.0
   47    49    46    45   4.00000 -1.0 2.0
   50    48    47    46   1.10000 -1.0 2.0
   60    51    50    47   1.10000 -1.0 2.0
   65    61    60    50   1.10000 -1.0 2.0
   60    68    65    45   4.00000 -1.0 2.0
   70    73    72    75   1.10000 -1.0 2.0
   84    86    75    72   1.10000 -1.0 2.0
   75    38    84    85  10.50000 -1.0 2.0
   75    88    86    87  10.50000 -1.0 2.0
   89    86    88    90   1.00000 -1.0 2.0
END
