COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      15.901   6.448  -1.704  1.00  0.00           O  
HETATM    2  C   UNL     1      15.469   5.582  -0.773  1.00  0.00           C  
HETATM    3  O   UNL     1      14.445   5.803  -0.172  1.00  0.00           O  
HETATM    4  C   UNL     1      16.261   4.334  -0.480  1.00  0.00           C  
HETATM    5  C   UNL     1      15.565   3.539   0.595  1.00  0.00           C  
HETATM    6  C   UNL     1      15.251   2.285   0.383  1.00  0.00           C  
HETATM    7  C   UNL     1      14.555   1.491   1.458  1.00  0.00           C  
HETATM    8  C   UNL     1      13.282   0.904   0.905  1.00  0.00           C  
HETATM    9  O   UNL     1      12.970   1.110  -0.249  1.00  0.00           O  
HETATM   10  S   UNL     1      12.276  -0.055   1.905  1.00  0.00           S  
HETATM   11  C   UNL     1      10.958  -0.456   0.731  1.00  0.00           C  
HETATM   12  C   UNL     1       9.911  -1.333   1.421  1.00  0.00           C  
HETATM   13  N   UNL     1       8.844  -1.658   0.472  1.00  0.00           N  
HETATM   14  C   UNL     1       7.806  -2.425   0.860  1.00  0.00           C  
HETATM   15  O   UNL     1       7.756  -2.847   1.996  1.00  0.00           O  
HETATM   16  C   UNL     1       6.708  -2.760  -0.116  1.00  0.00           C  
HETATM   17  C   UNL     1       5.661  -3.636   0.573  1.00  0.00           C  
HETATM   18  N   UNL     1       4.594  -3.961  -0.376  1.00  0.00           N  
HETATM   19  C   UNL     1       3.557  -4.729   0.012  1.00  0.00           C  
HETATM   20  O   UNL     1       3.552  -5.227   1.118  1.00  0.00           O  
HETATM   21  C   UNL     1       2.403  -4.968  -0.927  1.00  0.00           C  
HETATM   22  O   UNL     1       2.754  -4.519  -2.237  1.00  0.00           O  
HETATM   23  C   UNL     1       1.177  -4.196  -0.435  1.00  0.00           C  
HETATM   24  C   UNL     1       0.711  -4.776   0.901  1.00  0.00           C  
HETATM   25  C   UNL     1       1.542  -2.721  -0.251  1.00  0.00           C  
HETATM   26  C   UNL     1       0.051  -4.317  -1.464  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.094  -3.596  -1.005  1.00  0.00           O  
HETATM   28  P   UNL     1      -2.468  -3.508  -1.840  1.00  0.00           P  
HETATM   29  O   UNL     1      -2.210  -2.711  -3.215  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.948  -4.874  -2.145  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.577  -2.731  -0.969  1.00  0.00           O  
HETATM   32  P   UNL     1      -5.185  -2.659  -1.013  1.00  0.00           P  
HETATM   33  O   UNL     1      -5.801  -3.962  -0.297  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.637  -2.609  -2.421  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.683  -1.336  -0.242  1.00  0.00           O  
HETATM   36  C   UNL     1      -7.053  -0.933  -0.196  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.177   0.360   0.614  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.587   1.463  -0.106  1.00  0.00           O  
HETATM   39  C   UNL     1      -8.663   0.748   0.784  1.00  0.00           C  
HETATM   40  O   UNL     1      -9.148   0.325   2.060  1.00  0.00           O  
HETATM   41  P   UNL     1     -10.374  -0.704   2.235  1.00  0.00           P  
HETATM   42  O   UNL     1     -11.723  -0.032   1.669  1.00  0.00           O  
HETATM   43  O   UNL     1     -10.087  -1.945   1.482  1.00  0.00           O  
HETATM   44  O   UNL     1     -10.562  -1.054   3.795  1.00  0.00           O  
HETATM   45  C   UNL     1      -8.661   2.290   0.686  1.00  0.00           C  
HETATM   46  O   UNL     1      -9.145   2.869   1.899  1.00  0.00           O  
HETATM   47  C   UNL     1      -7.175   2.651   0.468  1.00  0.00           C  
HETATM   48  N   UNL     1      -7.055   3.779  -0.458  1.00  0.00           N  
HETATM   49  C   UNL     1      -6.908   3.700  -1.811  1.00  0.00           C  
HETATM   50  N   UNL     1      -6.832   4.895  -2.321  1.00  0.00           N  
HETATM   51  C   UNL     1      -6.925   5.814  -1.331  1.00  0.00           C  
HETATM   52  C   UNL     1      -7.075   5.110  -0.124  1.00  0.00           C  
HETATM   53  N   UNL     1      -7.190   5.791   1.011  1.00  0.00           N  
HETATM   54  C   UNL     1      -7.164   7.107   1.010  1.00  0.00           C  
HETATM   55  N   UNL     1      -7.025   7.812  -0.098  1.00  0.00           N  
HETATM   56  C   UNL     1      -6.911   7.219  -1.282  1.00  0.00           C  
HETATM   57  N   UNL     1      -6.766   7.966  -2.437  1.00  0.00           N  
HETATM   58  H   UNL     1      15.360   7.234  -1.857  1.00  0.00           H  
HETATM   59  H   UNL     1      16.338   3.731  -1.385  1.00  0.00           H  
HETATM   60  H   UNL     1      17.259   4.609  -0.140  1.00  0.00           H  
HETATM   61  H   UNL     1      15.326   4.003   1.541  1.00  0.00           H  
HETATM   62  H   UNL     1      15.490   1.821  -0.562  1.00  0.00           H  
HETATM   63  H   UNL     1      15.209   0.687   1.796  1.00  0.00           H  
HETATM   64  H   UNL     1      14.319   2.144   2.298  1.00  0.00           H  
HETATM   65  H   UNL     1      10.489   0.464   0.383  1.00  0.00           H  
HETATM   66  H   UNL     1      11.379  -0.994  -0.118  1.00  0.00           H  
HETATM   67  H   UNL     1      10.380  -2.253   1.769  1.00  0.00           H  
HETATM   68  H   UNL     1       9.490  -0.796   2.271  1.00  0.00           H  
HETATM   69  H   UNL     1       8.884  -1.321  -0.437  1.00  0.00           H  
HETATM   70  H   UNL     1       6.239  -1.839  -0.465  1.00  0.00           H  
HETATM   71  H   UNL     1       7.129  -3.297  -0.966  1.00  0.00           H  
HETATM   72  H   UNL     1       6.130  -4.557   0.921  1.00  0.00           H  
HETATM   73  H   UNL     1       5.240  -3.099   1.423  1.00  0.00           H  
HETATM   74  H   UNL     1       4.634  -3.624  -1.285  1.00  0.00           H  
HETATM   75  H   UNL     1       2.173  -6.033  -0.957  1.00  0.00           H  
HETATM   76  H   UNL     1       2.971  -3.578  -2.286  1.00  0.00           H  
HETATM   77  H   UNL     1       0.524  -5.844   0.789  1.00  0.00           H  
HETATM   78  H   UNL     1       1.483  -4.620   1.655  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.208  -4.278   1.214  1.00  0.00           H  
HETATM   80  H   UNL     1       0.669  -2.171   0.099  1.00  0.00           H  
HETATM   81  H   UNL     1       2.344  -2.635   0.482  1.00  0.00           H  
HETATM   82  H   UNL     1       1.874  -2.308  -1.203  1.00  0.00           H  
HETATM   83  H   UNL     1       0.383  -3.904  -2.417  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.210  -5.367  -1.595  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.893  -1.806  -3.091  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.545  -4.059   0.631  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.416  -0.762  -1.209  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.647  -1.715   0.276  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.702   0.243   1.588  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.264   0.315  -0.015  1.00  0.00           H  
HETATM   91  H   UNL     1     -11.972   0.788   2.117  1.00  0.00           H  
HETATM   92  H   UNL     1     -11.285  -1.670   3.975  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.264   2.619  -0.161  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.165   3.836   1.892  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.699   2.888   1.420  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.861   2.781  -2.376  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.260   7.629   1.950  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.746   8.935  -2.389  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.684   7.521  -3.295  1.00  0.00           H  
CONECT    1    2   58                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   59   60                                       
CONECT    5    4    6    6   61                                       
CONECT    6    5    5    7   62                                       
CONECT    7    6    8   63   64                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   65   66                                       
CONECT   12   11   13   67   68                                       
CONECT   13   12   14   69                                            
CONECT   14   13   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   70   71                                       
CONECT   17   16   18   72   73                                       
CONECT   18   17   19   74                                            
CONECT   19   18   21   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   23   22   19   75                                       
CONECT   22   21   76                                                 
CONECT   23   24   26   25   21                                       
CONECT   24   23   77   78   79                                       
CONECT   25   23   80   81   82                                       
CONECT   26   23   27   83   84                                       
CONECT   27   26   28                                                 
CONECT   28   30   30   31   27                                       
CONECT   28   29                                                      
CONECT   29   28   85                                                 
CONECT   30   28   28                                                 
CONECT   31   28   32                                                 
CONECT   32   35   31   34   34                                       
CONECT   32   33                                                      
CONECT   33   32   86                                                 
CONECT   34   32   32                                                 
CONECT   35   36   32                                                 
CONECT   36   37   35   87   88                                       
CONECT   37   38   39   36   89                                       
CONECT   38   47   37                                                 
CONECT   39   37   40   45   90                                       
CONECT   40   39   41                                                 
CONECT   41   40   43   43   42                                       
CONECT   41   44                                                      
CONECT   42   41   91                                                 
CONECT   43   41   41                                                 
CONECT   44   41   92                                                 
CONECT   45   47   46   39   93                                       
CONECT   46   45   94                                                 
CONECT   47   48   38   45   95                                       
CONECT   48   52   49   47                                            
CONECT   49   50   50   48   96                                       
CONECT   50   51   49   49                                            
CONECT   51   56   56   52   50                                       
CONECT   52   53   53   51   48                                       
CONECT   53   54   52   52                                            
CONECT   54   55   55   53   97                                       
CONECT   55   54   54   56                                            
CONECT   56   55   57   51   51                                       
CONECT   57   56   98   99                                            
CONECT   58    1                                                      
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   26                                                      
CONECT   85   29                                                      
CONECT   86   33                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   39                                                      
CONECT   91   42                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   49                                                      
CONECT   97   54                                                      
CONECT   98   57                                                      
CONECT   99   57                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
