* LIGAND DATABASE FILE (OPLS2005)
*
001     108   112    207    346     629
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02025    65.98468    73.45673
    3     1 S   H    _H1_     3     1.02158    46.64406  -132.09265
    4     1 S   H    _H2_     4     1.02121   105.23793   -30.57787
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C22    36     1.83717    97.61170  -158.14839
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C13    37     1.53889   116.02642    60.01170
   38    33 S   CT   _C21    65     1.57152   113.81979  -175.96211
   39    33 S   OH   _O34   107     1.43854   104.96823   -59.19063
   40    39 S   HO   _H14   108     0.96613   105.74679    64.38753
   41    37 S   CM   _C12    38     1.35634   128.66599    23.45977
   42    38 S   OH   _O35    66     1.43062   108.96166    53.52070
   43    42 S   HO   _H15    67     0.96726   106.22774   -62.48246
   44    41 S   CA   _C11    39     1.48289   121.35313   166.33725
   45    41 S   OH   _O38   105     1.37640   124.76188    -6.67703
   46    45 S   HO   _H35   106     0.96434   110.03175    -6.47911
   47    44 S   CA   _C6_    40     1.40709   120.54693    14.44761
   48    47 S   CA   _C7_    41     1.40866   119.56555  -179.35563
   49    48 S   HA   _H9_    42     1.08721   120.59887  -178.41119
   50    47 S   CT   _C5_    50     1.51524   119.52376     4.36422
   51    48 S   CA   _C8_    43     1.39174   120.94435     0.82709
   52    51 S   HA   _H10    44     1.08574   120.12859   179.82306
   53    37 S   CT   _C14    51     1.53194   111.01818  -166.16292
   54    53 S   HC   _H3_    52     1.09862   109.54709    47.21972
   55    50 S   CT   _C4_    99     1.54168   107.98238    91.09891
   56    55 S   HC   _H6_   100     1.08336   109.11897  -179.98022
   57    55 S   HC   _H7_   101     1.08390   109.07442    60.02124
   58    55 S   HC   _H8_   102     1.08455   109.11017   -59.95245
   59    50 S   OH   _O40   103     1.43009   110.07982  -152.24140
   60    59 S   HO   _H37   104     0.96904   106.25967  -180.00000
   61    51 S   CA   _C9_    45     1.38926   119.74092    -0.51052
   62    61 S   HA   _H11    46     1.08673   119.54370   179.83098
   63    53 S   CT   _C15    53     1.54288   106.66250   -66.59946
   64    63 S   HC   _H12    54     1.09712   109.98470   177.62397
   65    63 S   HC   _H13    55     1.09666   110.04055   -65.36834
   66    44 S   CA   _C10    47     1.40818   120.86778  -164.28580
   67    63 S   CT   _C16    56     1.55732   111.35200    58.09401
   68    67 S   HC   _H4_    57     1.10058   106.51104    64.84466
   69    66 S   OH   _O39    48     1.36720   123.14961     0.30001
   70    69 S   HO   _H36    49     0.96848   110.00150   178.60647
   71    67 S   CT   _C17    58     1.54544   110.45510  -179.58129
   72    71 S   HC   _H5_    59     1.09997   107.02526   -47.13343
   73    71 S   CMA  _C18    60     1.52967   114.04501    75.86349
   74    73 S   OM   _O37    61     1.26698   109.84950  -155.39005
   75    71 S   NP   _N6_    89     1.50488   108.70574  -158.81185
   76    75 S   H    _H28    90     1.02805   106.69303   -46.68752
   77    73 S   CM   _C19    62     1.35460   119.30050    23.69794
   78    75 S   CT   _C29    91     1.50156   111.84076    69.91602
   79    78 S   HC   _H29    92     1.09185   107.76932    63.57525
   80    78 S   HC   _H30    93     1.09133   107.76196  -176.43916
   81    78 S   HC   _H31    94     1.09187   107.80747   -56.45080
   82    75 S   CT   _C30    95     1.50067   111.88609  -163.33723
   83    82 S   HC   _H32    96     1.09203   107.77381   -63.52061
   84    82 S   HC   _H33    97     1.09124   107.80832    56.45577
   85    82 S   HC   _H34    98     1.09113   107.82603   176.50677
   86    77 S   CO4  _C20    63     1.50152   123.15662     1.19223
   87    86 S   O    _O33    64     1.23238   118.13313   178.44078
   88    77 S   C    _C23    68     1.48170   117.96992  -179.01981
   89    88 S   O    _O36    69     1.22288   120.39031   -90.13256
   90    88 S   N    _N4_    70     1.37808   112.38646    89.99604
   91    90 S   H    _H16    71     1.01573   118.86768    -0.18663
   92    90 S   CT   _C24    72     1.44323   122.32382   179.89165
   93    92 S   HC   _H17    73     1.09304   109.34728   150.02027
   94    92 S   HC   _H18    74     1.09305   111.32764    26.85923
   95    92 S   NP   _N5_    75     1.49516   109.86588   -92.09266
   96    95 S   H    _H19    76     1.03115   107.35899    58.89567
   97    95 S   CT   _C25    77     1.51348   113.73517   -58.94679
   98    97 S   HC   _H20    78     1.09185   108.71051    87.84072
   99    97 S   HC   _H21    79     1.09358   107.82145   -32.64575
  100    97 S   CT   _C26    80     1.51420   103.33389  -150.90760
  101   100 S   HC   _H22    81     1.09681   110.56218   -78.40025
  102   100 S   HC   _H23    82     1.09335   112.31908   160.51053
  103   100 S   CT   _C27    83     1.51484   102.56599    39.32063
  104   103 S   HC   _H24    84     1.09742   110.17208    76.75577
  105   103 S   HC   _H25    85     1.09439   112.63731  -162.81601
  106    95 S   CT   _C28    86     1.51727   114.37986   177.03238
  107   106 S   HC   _H26    87     1.09268   109.58854     4.03566
  108   106 S   HC   _H27    88     1.09415   106.96097  -115.54262
  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  20  19   6   1  12   8   2  15   4   1  17  10
   4  14   5   3  13   6   6   3   2   1   2   1   4   2   9   4
   3   2  12   5   1   1  16   7  11   4  10   8   7   7   3   2
   1   3   2   1   1   4   1   7   3   8   4  12   5   4  13   8
  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    53    67    86    38    42    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    44    50    53    54    63    67    68    71    77    86    87    38    42    43    45    39    40  
   35    36  
   36  
    0  
   41    44    47    66    50    53    54    63    64    65    67    86    38    42    55    59    45    46    39    40  
   42    43    88    75    39    40    41    53    63    64    65    67    68    71    72    73    77    86    87  
   40    41    42    53    67    86  
    0  
   44    47    48    61    66    69    50    53    54    63    45    46  
   43    63    67    68    71    77    86    87  
   67    86  
   47    48    49    51    61    62    66    69    70    50    53    55    59    45    46  
   46    47    53    66  
    0  
   48    49    51    52    61    66    69    50    53    54    63    55    56    57    58    59    60  
   49    51    52    61    62    66    50    53    55    59  
   51    52    61    50  
   53    54    63    64    65    67    55    56    57    58    59    60    51    66  
   52    61    62    66    69  
   61    62    66  
   54    63    64    65    67    68    71    55    56    57    58    59    60  
   63    64    65    67    55    59  
   56    57    58    59    60    63  
   57    58    59  
   58    59  
   59  
   60    63  
    0  
   62    66    69    70  
   66    69  
   64    65    67    68    71    72    73    86    75  
   65    67    68    71  
   67    68    71  
   69    70  
   68    71    72    73    74    77    86    87    75    76    78    82  
   71    72    73    86    75  
   70  
    0  
   72    73    74    77    86    88    75    76    78    79    80    81    82    83    84    85  
   73    74    77    75    76    78    82  
   74    77    86    87    88    89    90    75    76    78    82  
   77    86    88    75  
   76    78    79    80    81    82    83    84    85    77  
   78    79    80    81    82    83    84    85  
   86    87    88    89    90    91    92  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
   87    88    89    90  
   88  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92    93    94    95    96    97   106  
   92    93    94    95  
   93    94    95    96    97    98    99   100   103   106   107   108  
   94    95    96    97   106  
   95    96    97   106  
   96    97    98    99   100   101   102   103   104   105   106   107   108  
   97    98    99   100   103   106   107   108  
   98    99   100   101   102   103   104   105   106   107   108  
   99   100   101   102   103   106  
  100   101   102   103   106  
  101   102   103   104   105   106   107   108  
  102   103   104   105   106  
  103   104   105   106  
  104   105   106   107   108  
  105   106   107   108  
  106   107   108  
  107   108  
  108  
    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   0.000000   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   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   74   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   75   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   76   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   90   3.2500   0.1700  -0.422500   1.8100   1.6000   0.054801302  -1.445846770
   91   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   92   3.5000   0.0660   0.272500   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   96   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.6450   1.4500   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   549.000  1.340
   37    53   317.000  1.510
   41    44   320.000  1.460
   41    45   510.000  1.338
   44    47   469.000  1.400
   44    66   469.000  1.400
   47    48   469.000  1.400
   47    50   317.000  1.510
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    61   469.000  1.400
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    69   450.000  1.364
   69    70   553.000  0.945
   50    53   268.000  1.529
   50    55   268.000  1.529
   50    59   320.000  1.410
   53    54   340.000  1.090
   53    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    38   268.000  1.529
   71    72   340.000  1.090
   71    73   270.000  1.512
   71    75   367.000  1.471
   73    74   745.000  1.250
   73    77   465.000  1.376
   77    86   320.000  1.462
   77    88   410.000  1.444
   86    87   570.000  1.229
   86    38   317.000  1.522
   38    42   320.000  1.410
   42    43   553.000  0.945
   88    89   570.000  1.229
   88    90   490.000  1.335
   90    91   434.000  1.010
   90    92   337.000  1.449
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   367.000  1.471
   95    96   434.000  1.010
   95    97   367.000  1.471
   95   106   367.000  1.471
   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
  103   106   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
   75    76   434.000  1.010
   75    78   367.000  1.471
   75    82   367.000  1.471
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   553.000  0.945
   45    46   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    53    65.00000  117.92700
   33    38    67    58.35000  112.70000
   33    38    86    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    39    40    55.00000  108.50000
   37    41    44    60.00000  123.20500
   37    41    45    80.00000  121.38400
   37    53    50    70.00000  112.02700
   37    53    54    35.00000  109.50000
   37    53    63    70.00000  112.02700
   41    44    47    60.00000  120.93500
   41    44    66    60.00000  120.93500
   41    45    46    70.00000  107.45700
   44    47    48    63.00000  120.00000
   44    47    50    70.00000  120.00000
   44    66    61    63.00000  120.00000
   44    66    69    70.00000  120.00000
   47    48    49    35.00000  120.00000
   47    48    51    63.00000  120.00000
   47    50    53    70.00000  112.17500
   47    50    55    70.00000  112.17500
   47    50    59    90.00000  112.51600
   48    51    52    35.00000  120.00000
   48    51    61    63.00000  120.00000
   51    48    49    35.00000  120.00000
   51    61    62    35.00000  120.00000
   51    61    66    63.00000  120.00000
   61    51    52    35.00000  120.00000
   61    66    69    70.00000  120.00000
   66    44    47    63.00000  120.00000
   66    61    62    35.00000  120.00000
   66    69    70    35.00000  113.00000
   50    47    48    70.00000  120.00000
   50    53    54    37.50000  110.70000
   50    53    63    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   50    59    60    55.00000  108.50000
   53    37    41    70.00000  124.00000
   53    63    64    37.50000  110.70000
   53    63    65    37.50000  110.70000
   53    63    67    58.35000  112.70000
   63    53    54    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    38    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    70.00000  112.02700
   67    71    75    80.00000  111.20000
   67    38    86    63.00000  111.10000
   67    38    42    50.00000  109.50000
   71    67    68    37.50000  110.70000
   71    73    74    85.00000  112.85300
   71    73    77    65.00000  122.18000
   71    75    76    35.00000  109.50000
   71    75    78    75.00000  113.01200
   71    75    82    75.00000  113.01200
   73    71    72    45.00000  110.52000
   73    77    86    60.00000  125.92000
   73    77    88    60.00000  120.04000
   77    73    74    65.00000  137.10300
   77    86    87    80.00000  123.72100
   77    86    38    65.00000  118.62400
   77    88    89    80.00000  125.30000
   77    88    90    80.00000  111.56200
   86    38    42    90.00000  109.61100
   38    33    37    70.00000  112.02700
   38    67    68    37.50000  110.70000
   38    67    71    58.35000  112.70000
   38    86    87    80.00000  120.40000
   38    42    43    55.00000  108.50000
   88    77    86    55.00000  123.68000
   88    90    91    35.00000  119.80000
   88    90    92    50.00000  121.90000
   90    88    89    80.00000  122.90000
   90    92    93    35.00000  109.50000
   90    92    94    35.00000  109.50000
   90    92    95    80.00000  116.76000
   92    90    91    38.00000  118.40000
   92    95    96    35.00000  109.50000
   92    95    97    75.00000  113.01200
   92    95   106    75.00000  113.01200
   94    92    93    33.00000  107.80000
   95    92    93    35.00000  109.50000
   95    92    94    35.00000  109.50000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    80.00000  111.20000
   95   106   103    80.00000  111.20000
   95   106   107    35.00000  109.50000
   95   106   108    35.00000  109.50000
   97    95    96    35.00000  109.50000
   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
  100   103   106    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    37.50000  110.70000
  103   100   102    37.50000  110.70000
  103   106   107    37.50000  110.70000
  103   106   108    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106    95    96    35.00000  109.50000
  106    95    97    75.00000  113.01200
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  108   106   107    33.00000  107.80000
   75    71    72    35.00000  109.50000
   75    71    73    75.00000  110.06800
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   75    82    83    35.00000  109.50000
   75    82    84    35.00000  109.50000
   75    82    85    35.00000  109.50000
   78    75    76    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    75    76    35.00000  109.50000
   82    75    78    75.00000  113.01200
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   55    50    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    50    53    50.00000  109.50000
   59    50    55    50.00000  109.50000
   45    41    44    85.00000  114.86500
   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
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  105   103   106   108   0.15000  1.0 3.0
  106    95    97    98   0.15000  1.0 3.0
  106    95    97    99   0.15000  1.0 3.0
  106    95   -97   100   0.47100  1.0 1.0
   75    71    73    74   0.09700  1.0 1.0
   75    71    73    74   0.15600 -1.0 2.0
   75    71    73    74  -0.50800  1.0 3.0
   75    71    73    77   0.80850  1.0 1.0
   75    71    73    77  -0.47300 -1.0 2.0
   75    71    73    77  -0.52300  1.0 3.0
   76    75    78    79   0.13050  1.0 3.0
   76    75    78    80   0.13050  1.0 3.0
   76    75    78    81   0.13050  1.0 3.0
   76    75    82    83   0.13050  1.0 3.0
   76    75    82    84   0.13050  1.0 3.0
   76    75    82    85   0.13050  1.0 3.0
   78    75    82    83   0.15000  1.0 3.0
   78    75    82    84   0.15000  1.0 3.0
   78    75    82    85   0.15000  1.0 3.0
   82    75    78    79   0.15000  1.0 3.0
   82    75    78    80   0.15000  1.0 3.0
   82    75    78    81   0.15000  1.0 3.0
   55    50    53    37   0.34400  1.0 1.0
   55    50    53    37   0.09450 -1.0 2.0
   55    50    53    37   0.11100  1.0 3.0
   55    50    53    54   0.15000  1.0 3.0
   55    50    53    63   0.56750  1.0 1.0
   55    50    53    63  -0.07550 -1.0 2.0
   55    50    53    63   0.20000  1.0 3.0
   55    50    59    60  -0.11600  1.0 1.0
   55    50    59    60  -0.09450 -1.0 2.0
   55    50    59    60   0.21250  1.0 3.0
   59    50    53    37   1.05650  1.0 1.0
   59    50    53    37   0.15600 -1.0 2.0
   59    50    53    37   0.53150  1.0 3.0
   59    50    53    54   0.23400  1.0 3.0
   59    50    53    63   0.86500  1.0 1.0
   59    50    53    63  -0.17500 -1.0 2.0
   59    50    53    63   0.20800  1.0 3.0
   59    50    55    56   0.23400  1.0 3.0
   59    50    55    57   0.23400  1.0 3.0
   59    50    55    58   0.23400  1.0 3.0
   45    41    44    47  -0.01750  1.0 1.0
   45    41    44    47  -0.32000 -1.0 2.0
   45    41    44    47   0.00600  1.0 3.0
   45    41    44    66  -0.01750  1.0 1.0
   45    41    44    66  -0.32000 -1.0 2.0
   45    41    44    66   0.00600  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    53   0.18000  1.0 1.0
   39    33    37    53   0.16450 -1.0 2.0
   39    33    37    53   0.04450  1.0 3.0
   39    33    38    67   0.86500  1.0 1.0
   39    33    38    67  -0.17500 -1.0 2.0
   39    33    38    67   0.20800  1.0 3.0
   39    33    38    86  -0.09450  1.0 1.0
   39    33    38    86  -1.12950 -1.0 2.0
   39    33    38    86   0.54000  1.0 3.0
   39    33    38    42   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    53    37    41   1.10000 -1.0 2.0
   44    45    41    37   1.10000 -1.0 2.0
   47    66    44    41   4.00000 -1.0 2.0
   48    50    47    44   4.00000 -1.0 2.0
   51    49    48    47   1.10000 -1.0 2.0
   61    52    51    48   1.10000 -1.0 2.0
   66    62    61    51   1.10000 -1.0 2.0
   61    69    66    44   4.00000 -1.0 2.0
   71    74    73    77   1.10000 -1.0 2.0
   86    88    77    73   1.10000 -1.0 2.0
   77    38    86    87  10.50000 -1.0 2.0
   77    90    88    89  10.50000 -1.0 2.0
   91    88    90    92   1.00000 -1.0 2.0
END
