* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    208    331     619
    1     0 S   NP   _N1_     1    28.82746    99.10937   -23.41782
    2     1 S   H    _HN1     2     1.02948    57.98496    14.68078
    3     1 S   H    _H1_     3     1.02830    52.86818   169.87655
    4     1 S   H    _H2_     4     1.02791   104.25811   -88.30026
    5     1 S   CT   _CA1     5     1.50119   143.46442    95.88194
    6     5 S   HC   _HA1     6     1.09574   105.17074   114.27974
    7     5 S   CO3  _C1_     7     1.53762   112.49673    -5.93406
    8     7 S   O2Z  _O11     8     1.26373   114.99424   -42.02512
    9     7 S   O2Z  _O12     9     1.26235   114.93607   137.03094
   10     5 S   CT   _CB1    10     1.53061   107.41816  -127.74309
   11    10 S   HC   HB11    11     1.09838   109.31201   -49.62782
   12    10 S   HC   HB12    12     1.09811   110.48000    66.96588
   13    10 S   CT   _CG1    13     1.53003   112.63365  -170.58633
   14    13 S   HC   HG11    14     1.09580   110.71726   -67.38225
   15    13 S   HC   HG12    15     1.09673   109.72570    51.85983
   16    13 S   C    _CD1    16     1.51798   112.06375   172.32663
   17    16 S   O    _OE1    17     1.22746   123.23823    11.15922
   18    16 S   N    _N2_    18     1.38585   111.71885  -168.94921
   19    18 S   H    _HN2    19     1.01578   119.06825     0.80015
   20    18 S   CT1  _CA2    20     1.46236   123.50488   177.01568
   21    20 S   HC   _HA2    21     1.09739   109.29633     5.94422
   22    20 S   C    _C2_    22     1.53661   109.06832  -109.57797
   23    22 S   O    _O2_    23     1.23081   122.21684  -151.80819
   24    20 S   CT   _CB2    32     1.53383   111.29266   127.94275
   25    24 S   HC   HB21    33     1.09436   109.30364    55.98012
   26    24 S   HC   HB22    34     1.09518   109.97032   174.97270
   27    22 S   N    _N3_    24     1.38306   113.90523    35.79490
   28    27 S   H    _HN3    25     1.01546   119.56151    -3.54409
   29    24 S   S    _SG2    35     1.83508   110.75013   -65.88790
   30    27 S   CT   _CA3    26     1.45266   123.29472   177.12084
   31    30 S   HC   HA31    27     1.09547   107.53301   -64.45803
   32    30 S   HC   HA32    28     1.09556   107.98061    52.00249
   33    29 S   CT   _C23    36     1.87724   103.42368   168.30765
   34    33 S   OM   _O38    37     1.31997   112.56856    21.67273
   35    30 S   CO3  _C3_    29     1.52969   114.02844   173.99704
   36    35 S   O2Z  _O31    30     1.26386   116.08090    -0.00000
   37    35 S   O2Z  _O32    31     1.26426   114.41349  -179.96574
   38    33 S   CM   _C24    38     1.54042   104.77343   -96.22539
   39    38 S   CMA  _C25    39     1.36239   126.96383  -112.18828
   40    39 S   OM   _O36    40     1.27099   129.24544   175.93625
   41    38 S   C    _C26   107     1.51511   118.14047    66.05867
   42    41 S   O    _O37   108     1.22704   122.62282    73.78693
   43    39 S   CT   _C17    41     1.56418   119.61516    -2.03759
   44    41 S   N    _N6_   109     1.37658   113.59887  -105.86832
   45    44 S   H    _H22   110     1.01422   121.68308    -2.34017
   46    44 S   H    _H23   111     1.01252   120.61059  -178.81568
   47    43 S   CM   _C16    42     1.54448   113.65726  -103.72172
   48    43 S   CT   _C18    89     1.56365   112.22464    23.05107
   49    48 S   HC   _H3_    90     1.09938   107.46024    66.76814
   50    43 S   OH   _O39   105     1.45020   109.02453   139.01223
   51    50 S   HO   _H31   106     0.97476   105.90405    31.20708
   52    47 S   CM   _C15    43     1.35031   122.45583   153.73172
   53    33 S   CT   _C22    91     1.58442   112.12360   142.73521
   54    53 S   HC   _H5_    92     1.10050   107.82213  -164.33808
   55    47 S   OH   _O40   103     1.38591   115.08746   -26.58324
   56    55 S   HO   _H32   104     0.97192   109.33207  -176.59797
   57    52 S   CO4  _C14    44     1.49960   121.34898  -179.87489
   58    57 S   O    _O35    45     1.22648   121.70899   -18.53708
   59    53 S   NP   _N7_    93     1.55993   116.45765   -50.40227
   60    59 S   H    _H24    94     1.02306   103.19773  -172.97513
   61    57 S   CA   _C12    46     1.49423   117.96548   161.59420
   62    59 S   CT   _C27    95     1.50795   114.81805   -62.34784
   63    62 S   HC   _H25    96     1.09191   109.30306    77.32040
   64    62 S   HC   _H26    97     1.09415   107.53189  -163.39356
   65    62 S   HC   _H27    98     1.09282   108.55102   -45.29477
   66    59 S   CT   _C28    99     1.50518   119.48672    73.20610
   67    66 S   HC   _H28   100     1.09134   109.67881   -91.37537
   68    66 S   HC   _H29   101     1.09014   110.05585    32.17722
   69    66 S   HC   _H30   102     1.09458   107.05146   150.70173
   70    61 S   CA   _C11    47     1.41100   119.81065    -9.76449
   71    70 S   CA   _C10    48     1.41742   120.05952  -176.95348
   72    70 S   CT   _C21    81     1.51575   119.50118     2.06905
   73    72 S   HC   _H20    82     1.09593   110.33579   152.96546
   74    72 S   HC   _H21    83     1.09465   107.35302   -89.39995
   75    71 S   CA   _C9_    49     1.41009   118.78558    -2.14466
   76    75 S   HA   _H16    50     1.08419   117.84674   179.39251
   77    71 S   NE   _N8_    72     1.40366   120.63622   176.77129
   78    52 S   CT   _C20    84     1.50070   123.72102     1.00015
   79    78 S   HC   _H4_    85     1.10111   107.42535   116.46325
   80    75 S   CA   _C8_    51     1.39601   121.67154     0.87223
   81    77 S   CT   _C29    73     1.45886   114.93818   -81.52087
   82    81 S   HC   _H33    74     1.09539   110.24992   169.02485
   83    81 S   HC   _H34    75     1.09488   112.11095    49.79481
   84    81 S   HC   _H35    76     1.09583   110.71249   -71.44095
   85    77 S   CT   _C30    77     1.45735   117.91902   134.33518
   86    85 S   HC   _H36    78     1.09547   109.94500  -163.04628
   87    85 S   HC   _H37    79     1.09522   111.58103    77.43667
   88    85 S   HC   _H38    80     1.09579   111.16728   -44.57640
   89    78 S   CT   _C19    86     1.53845   114.49593    -0.81757
   90    89 S   HC   _H18    87     1.10001   107.03004    91.34813
   91    89 S   HC   _H19    88     1.09457   110.85123  -156.53198
   92    61 S   CA   _C13    52     1.40564   120.70582   171.34955
   93    80 S   N    _N5_    55     1.41761   123.86557  -179.93744
   94    93 S   H    _H15    56     1.01842   113.91599  -179.33795
   95    92 S   OH   _O34    53     1.37521   122.50043    -1.78849
   96    95 S   HO   _H17    54     0.97382   109.13428     2.28901
   97    93 S   C    _C7_    57     1.38721   128.00495     0.76361
   98    97 S   O    _O33    58     1.22787   127.56821    -0.92746
   99    97 S   CT1  _C6_    59     1.51823   111.71210   179.80820
  100    99 S   HC   _H13    60     1.09529   107.80009    91.93928
  101    99 S   HC   _H14    61     1.09474   112.44266   -29.19133
  102    99 S   NP   _N4_    62     1.51749   111.73143  -150.14712
  103   102 S   H    _H9_    63     1.03017   106.66157   -46.05903
  104   102 S   CT   _C4_    64     1.50507   112.70430    71.00729
  105   104 S   HC   _H6_    65     1.09327   108.58194    62.96402
  106   104 S   HC   _H7_    66     1.09325   107.99047  -176.67057
  107   104 S   HC   _H8_    67     1.09249   108.57893   -57.80114
  108   102 S   CT   _C5_    68     1.50312   111.79063  -162.53510
  109   108 S   HC   _H10    69     1.09325   108.58178   -62.48062
  110   108 S   HC   _H11    70     1.09314   108.10348    58.10727
  111   108 S   HC   _H12    71     1.09318   108.12349   176.90756
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  14  14   5   6   3  16   2   1   1  15  17
   8   5   1  15  15   5   3   1  11   4  10   8  13   7   3   2
   1   3   2   1   1  15  18  10   4   3  10   4   9   4   3   8
   7   3   2   1   3   2   1   1   2   1   1   5   8   3   1   1
   8   4  12   5   4   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    53    54    59    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    89    48    49    53    54    59    60    62    66    41    42    44  
   38    39    48    53    54    59    41  
   36    37  
   37  
    0  
   39    40    43    47    48    53    54    59    50    41    42    44    45    46  
   40    43    47    52    89    48    49    53    55    50    51    41    42    44  
   43    47    48    50    41  
   42    44    45    46    43    53  
   44    45    46  
   47    52    57    78    89    90    91    48    49    53    54    59    55    56    50    51  
   45    46  
   46  
    0  
   52    57    58    61    72    78    79    89    48    49    53    55    56    50    51  
   49    53    54    59    60    62    66    55    50    51    52    72    78    79    89    90    91  
   53    54    59    50    78    89    90    91  
   51    52    53    55    89  
    0  
   57    58    61    70    92    72    73    74    78    79    89    90    91    55    56  
   54    59    60    62    63    64    65    66    67    68    69    78    89    90    91  
   59    60    62    66    89  
   56    57    78  
    0  
   58    61    70    71    80    92    95    72    78    79    89  
   61    70    92    78  
   60    62    63    64    65    66    67    68    69    89  
   62    63    64    65    66    67    68    69  
   70    71    75    80    92    95    96    93    77    72    73    74    78  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    75    76    80    92    95    77    81    85    72    73    74    78    79    89  
   75    76    80    92    93    77    81    82    83    84    85    86    87    88    72    73    74    78  
   73    74    78    79    89    90    91    75    77    92  
   74    78    79    89  
   78    79    89  
   76    80    92    95    93    94    97    77    81    85  
   80    92    93    77  
   81    82    83    84    85    86    87    88    80  
   79    89    90    91  
   89    90    91  
   92    95    96    93    94    97    98    99  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    0  
   90    91  
   91  
    0  
   95    96    93    94    97  
   94    97    98    99   100   101   102    95  
   97    98    99  
   96  
    0  
   98    99   100   101   102   103   104   108  
   99   100   101   102  
  100   101   102   103   104   105   106   107   108   109   110   111  
  101   102   103   104   108  
  102   103   104   108  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108  
  108  
  109   110   111  
  110   111  
  111  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   46   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   60   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   93   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   94   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   95   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   99   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  102   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
  103   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
  104   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  108   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  111   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    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   570.000  1.307
   33    38   317.000  1.510
   33    53   268.000  1.529
   38    39   465.000  1.376
   38    41   410.000  1.444
   39    40   745.000  1.250
   39    43   270.000  1.512
   43    47   317.000  1.510
   43    48   268.000  1.529
   43    50   320.000  1.410
   47    52   549.000  1.340
   47    55   510.000  1.338
   52    57   320.000  1.462
   52    78   317.000  1.510
   57    58   570.000  1.229
   57    61   310.000  1.470
   61    70   469.000  1.400
   61    92   469.000  1.400
   70    71   469.000  1.400
   70    72   317.000  1.510
   71    75   469.000  1.400
   71    77   481.000  1.340
   75    76   367.000  1.080
   75    80   469.000  1.400
   80    92   469.000  1.400
   80    93   360.000  1.404
   92    95   450.000  1.364
   95    96   553.000  0.945
   93    94   434.000  1.010
   93    97   490.000  1.335
   97    98   570.000  1.229
   97    99   317.000  1.522
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   367.000  1.471
  102   103   434.000  1.010
  102   104   367.000  1.471
  102   108   367.000  1.471
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   77    81   382.000  1.448
   77    85   382.000  1.448
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    48   268.000  1.529
   48    49   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    59   367.000  1.471
   59    60   434.000  1.010
   59    62   367.000  1.471
   59    66   367.000  1.471
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   55    56   553.000  0.945
   50    51   553.000  0.945
   41    42   570.000  1.229
   41    44   490.000  1.335
   44    45   434.000  1.010
   44    46   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    53    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  119.70000
   33    53    48    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    59    80.00000  111.20000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    43    65.00000  122.18000
   38    41    42    80.00000  125.30000
   38    41    44    80.00000  111.56200
   39    43    47    70.00000  110.12100
   39    43    48    70.00000  112.02700
   39    43    50    90.00000  110.39200
   43    39    40    85.00000  112.85300
   43    47    52    70.00000  124.00000
   43    47    55    90.00000  109.34000
   43    48    89    58.35000  112.70000
   43    48    49    37.50000  110.70000
   43    48    53    58.35000  112.70000
   43    50    51    55.00000  108.50000
   47    52    57    65.00000  118.96000
   47    52    78    70.00000  124.00000
   47    55    56    70.00000  107.45700
   52    57    58    80.00000  123.72100
   52    57    61    65.00000  117.02400
   52    78    72    70.00000  112.02700
   52    78    79    35.00000  109.50000
   52    78    89    70.00000  112.02700
   57    61    70    60.00000  119.52600
   57    61    92    60.00000  119.52600
   61    57    58    75.00000  123.78400
   61    70    71    63.00000  120.00000
   61    70    72    70.00000  120.00000
   61    92    80    63.00000  120.00000
   61    92    95    70.00000  120.00000
   70    71    75    63.00000  120.00000
   70    71    77    70.00000  120.10000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    78    70.00000  112.17500
   71    75    76    35.00000  120.00000
   71    75    80    63.00000  120.00000
   71    77    81    50.00000  120.00000
   71    77    85    50.00000  120.00000
   75    80    92    63.00000  120.00000
   75    80    93    70.00000  119.01900
   80    75    76    35.00000  120.00000
   80    92    95    70.00000  120.00000
   80    93    94    45.00000  118.23600
   80    93    97    65.00000  121.96500
   92    61    70    63.00000  120.00000
   92    95    96    35.00000  113.00000
   93    80    92    70.00000  119.01900
   93    97    98    80.00000  122.90000
   93    97    99    70.00000  116.60000
   97    93    94    35.00000  119.80000
   97    99   100    35.00000  109.50000
   97    99   101    35.00000  109.50000
   97    99   102    80.00000  111.20000
   99    97    98    80.00000  120.40000
   99   102   103    35.00000  109.50000
   99   102   104    75.00000  113.01200
   99   102   108    75.00000  113.01200
  101    99   100    33.00000  107.80000
  102    99   100    35.00000  109.50000
  102    99   101    35.00000  109.50000
  102   104   105    35.00000  109.50000
  102   104   106    35.00000  109.50000
  102   104   107    35.00000  109.50000
  102   108   109    35.00000  109.50000
  102   108   110    35.00000  109.50000
  102   108   111    35.00000  109.50000
  104   102   103    35.00000  109.50000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108   102   103    35.00000  109.50000
  108   102   104    75.00000  113.01200
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   77    71    75    70.00000  120.10000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   77    85    86    35.00000  109.50000
   77    85    87    35.00000  109.50000
   77    85    88    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    77    81    50.00000  115.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   72    70    71    70.00000  120.00000
   72    78    79    37.50000  110.70000
   72    78    89    58.35000  112.70000
   74    72    73    33.00000  107.80000
   78    52    57    65.00000  116.34900
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    89    90    37.50000  110.70000
   78    89    91    37.50000  110.70000
   78    89    48    58.35000  112.70000
   89    78    79    37.50000  110.70000
   89    48    49    37.50000  110.70000
   89    48    53    58.35000  112.70000
   91    89    90    33.00000  107.80000
   48    43    47    70.00000  112.02700
   48    89    90    37.50000  110.70000
   48    89    91    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    59    80.00000  111.20000
   53    33    34    50.00000  109.50000
   53    33    38    70.00000  112.02700
   53    48    49    37.50000  110.70000
   53    59    60    35.00000  109.50000
   53    59    62    75.00000  113.01200
   53    59    66    75.00000  113.01200
   59    53    54    35.00000  109.50000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    35.00000  109.50000
   59    66    67    35.00000  109.50000
   59    66    68    35.00000  109.50000
   59    66    69    35.00000  109.50000
   62    59    60    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    59    60    35.00000  109.50000
   66    59    62    75.00000  113.01200
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   55    47    52    80.00000  121.38400
   50    43    47    90.00000  110.39200
   50    43    48    50.00000  109.50000
   41    38    39    60.00000  120.04000
   41    44    45    35.00000  119.80000
   41    44    46    35.00000  119.80000
   44    41    42    80.00000  122.90000
   46    44    45    35.00000  120.00000
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
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   53    59    66    68   0.15000  1.0 3.0
   53    59    66    69   0.15000  1.0 3.0
   54    53    59    60   0.13050  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   54    53    59    66   0.15000  1.0 3.0
   60    59    62    63   0.13050  1.0 3.0
   60    59    62    64   0.13050  1.0 3.0
   60    59    62    65   0.13050  1.0 3.0
   60    59    66    67   0.13050  1.0 3.0
   60    59    66    68   0.13050  1.0 3.0
   60    59    66    69   0.13050  1.0 3.0
   62    59    66    67   0.15000  1.0 3.0
   62    59    66    68   0.15000  1.0 3.0
   62    59    66    69   0.15000  1.0 3.0
   66    59    62    63   0.15000  1.0 3.0
   66    59    62    64   0.15000  1.0 3.0
   66    59    62    65   0.15000  1.0 3.0
   55    47    52    57   7.00000 -1.0 2.0
   55    47    52    78   7.00000 -1.0 2.0
   50    43    47    52   0.67800  1.0 1.0
   50    43    47    52   0.47050 -1.0 2.0
   50    43    47    52  -0.62500  1.0 3.0
   50    43    47    55   0.09700  1.0 1.0
   50    43    47    55   0.15600 -1.0 2.0
   50    43    47    55  -0.50800  1.0 3.0
   50    43    48    89   0.86500  1.0 1.0
   50    43    48    89  -0.17500 -1.0 2.0
   50    43    48    89   0.20800  1.0 3.0
   50    43    48    49   0.23400  1.0 3.0
   50    43    48    53   0.86500  1.0 1.0
   50    43    48    53  -0.17500 -1.0 2.0
   50    43    48    53   0.20800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   42    41    44    45   2.45000 -1.0 2.0
   42    41    44    46   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   43    55    47    52   1.10000 -1.0 2.0
   57    78    52    47   1.10000 -1.0 2.0
   52    61    57    58  10.50000 -1.0 2.0
   70    92    61    57   4.00000 -1.0 2.0
   71    72    70    61   4.00000 -1.0 2.0
   75    77    71    70   4.00000 -1.0 2.0
   80    76    75    71   1.10000 -1.0 2.0
   92    93    80    75   4.00000 -1.0 2.0
   80    95    92    61   4.00000 -1.0 2.0
   94    97    93    80   1.00000 -1.0 2.0
   93    99    97    98  10.50000 -1.0 2.0
   85    71    77    81   1.00000 -1.0 2.0
   38    44    41    42  10.50000 -1.0 2.0
   46    41    44    45   1.00000 -1.0 2.0
END
