COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.064   0.703  -5.956  1.00  0.00           C  
HETATM    2  O   UNL     1       4.024   1.166  -6.799  1.00  0.00           O  
HETATM    3  C   UNL     1       1.842   1.346  -5.881  1.00  0.00           C  
HETATM    4  C   UNL     1       0.849   0.880  -5.019  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.311   1.556  -4.970  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.381   0.811  -4.641  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.631   1.218  -5.110  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.771   0.513  -4.770  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.983   0.919  -5.232  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.678  -0.607  -3.958  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.443  -1.017  -3.497  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.302  -0.315  -3.842  1.00  0.00           C  
HETATM   13  C   UNL     1       0.036  -0.793  -3.340  1.00  0.00           C  
HETATM   14  C   UNL     1       1.104  -0.244  -4.254  1.00  0.00           C  
HETATM   15  C   UNL     1       2.327  -0.884  -4.324  1.00  0.00           C  
HETATM   16  C   UNL     1       3.311  -0.414  -5.171  1.00  0.00           C  
HETATM   17  C   UNL     1       0.261  -0.291  -1.937  1.00  0.00           C  
HETATM   18  C   UNL     1       0.381   1.062  -1.698  1.00  0.00           C  
HETATM   19  C   UNL     1       0.587   1.526  -0.413  1.00  0.00           C  
HETATM   20  C   UNL     1       0.676   0.633   0.647  1.00  0.00           C  
HETATM   21  C   UNL     1       0.563  -0.728   0.418  1.00  0.00           C  
HETATM   22  C   UNL     1       0.349  -1.197  -0.878  1.00  0.00           C  
HETATM   23  C   UNL     1       0.221  -2.647  -1.130  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.616  -3.057  -1.907  1.00  0.00           O  
HETATM   25  O   UNL     1       1.035  -3.515  -0.497  1.00  0.00           O  
HETATM   26  N   UNL     1       0.886   1.109   1.947  1.00  0.00           N  
HETATM   27  C   UNL     1       0.352   0.457   2.998  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.387  -0.486   2.814  1.00  0.00           O  
HETATM   29  C   UNL     1       0.674   0.899   4.402  1.00  0.00           C  
HETATM   30  S   UNL     1      -0.190  -0.169   5.586  1.00  0.00           S  
HETATM   31  C   UNL     1       0.364   0.573   7.145  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.255  -0.185   8.320  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.719  -0.107   8.235  1.00  0.00           N  
HETATM   34  O   UNL     1      -0.432   1.329  10.121  1.00  0.00           O  
HETATM   35  C   UNL     1       0.206   0.431   9.615  1.00  0.00           C  
HETATM   36  N   UNL     1       1.329  -0.015  10.212  1.00  0.00           N  
HETATM   37  H   UNL     1       4.550   1.806  -6.299  1.00  0.00           H  
HETATM   38  H   UNL     1       1.655   2.215  -6.495  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.708   2.089  -5.744  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.338   1.536  -4.579  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.568  -1.156  -3.687  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.366  -1.890  -2.866  1.00  0.00           H  
HETATM   43  H   UNL     1       0.066  -1.882  -3.351  1.00  0.00           H  
HETATM   44  H   UNL     1       2.513  -1.757  -3.715  1.00  0.00           H  
HETATM   45  H   UNL     1       4.268  -0.912  -5.222  1.00  0.00           H  
HETATM   46  H   UNL     1       0.313   1.761  -2.519  1.00  0.00           H  
HETATM   47  H   UNL     1       0.679   2.587  -0.233  1.00  0.00           H  
HETATM   48  H   UNL     1       0.633  -1.423   1.242  1.00  0.00           H  
HETATM   49  H   UNL     1       0.952  -4.464  -0.662  1.00  0.00           H  
HETATM   50  H   UNL     1       1.416   1.909   2.091  1.00  0.00           H  
HETATM   51  H   UNL     1       0.351   1.931   4.541  1.00  0.00           H  
HETATM   52  H   UNL     1       1.749   0.829   4.568  1.00  0.00           H  
HETATM   53  H   UNL     1       0.053   1.617   7.181  1.00  0.00           H  
HETATM   54  H   UNL     1       1.451   0.515   7.208  1.00  0.00           H  
HETATM   55  H   UNL     1       0.056  -1.229   8.284  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.960   0.871   8.273  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.974  -0.433   7.315  1.00  0.00           H  
HETATM   58  H   UNL     1       1.626   0.381  11.046  1.00  0.00           H  
HETATM   59  H   UNL     1       1.840  -0.733   9.808  1.00  0.00           H  
CONECT    1    2    3    3   16                                       
CONECT    2    1   37                                                 
CONECT    3    1    1    4   38                                       
CONECT    4    3    5   14   14                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    7   12                                       
CONECT    7    6    6    8   39                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   40                                                 
CONECT   10    8    8   11   41                                       
CONECT   11   10   12   12   42                                       
CONECT   12    6   11   11   13                                       
CONECT   13   12   14   17   43                                       
CONECT   14    4    4   13   15                                       
CONECT   15   14   16   16   44                                       
CONECT   16    1   15   15   45                                       
CONECT   17   13   18   18   22                                       
CONECT   18   17   17   19   46                                       
CONECT   19   18   20   20   47                                       
CONECT   20   19   19   21   26                                       
CONECT   21   20   22   22   48                                       
CONECT   22   17   21   21   23                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   49                                                 
CONECT   26   20   27   50                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   51   52                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   53   54                                       
CONECT   32   31   33   35   55                                       
CONECT   33   32   56   57                                            
CONECT   34   35   35                                                 
CONECT   35   32   34   34   36                                       
CONECT   36   35   58   59                                            
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
CONECT   58   36                                                      
CONECT   59   36                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
