COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.148   3.540  -0.227  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.899   2.409   0.218  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.253   1.213   0.251  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.943   1.144  -0.125  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.272  -0.087  -0.091  1.00  0.00           C  
HETATM    6  C   UNL     1       0.082  -0.196  -0.479  1.00  0.00           C  
HETATM    7  C   UNL     1       0.840   0.975  -0.967  1.00  0.00           C  
HETATM    8  C   UNL     1       2.180   0.993  -0.834  1.00  0.00           C  
HETATM    9  C   UNL     1       2.794  -0.201  -0.193  1.00  0.00           C  
HETATM   10  C   UNL     1       2.477  -0.187   1.304  1.00  0.00           C  
HETATM   11  C   UNL     1       4.284  -0.442  -0.384  1.00  0.00           C  
HETATM   12  O   UNL     1       5.024   0.168   0.675  1.00  0.00           O  
HETATM   13  S   UNL     1       6.370   0.733   0.244  1.00  0.00           S  
HETATM   14  O   UNL     1       7.047   1.110   1.436  1.00  0.00           O  
HETATM   15  O   UNL     1       6.908  -0.185  -0.698  1.00  0.00           O  
HETATM   16  N   UNL     1       6.070   2.134  -0.586  1.00  0.00           N  
HETATM   17  C   UNL     1       4.453  -1.983  -0.343  1.00  0.00           C  
HETATM   18  C   UNL     1       3.021  -2.577  -0.227  1.00  0.00           C  
HETATM   19  C   UNL     1       2.145  -1.469  -0.816  1.00  0.00           C  
HETATM   20  C   UNL     1       0.710  -1.444  -0.412  1.00  0.00           C  
HETATM   21  C   UNL     1       0.019  -2.564   0.009  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.293  -2.482   0.377  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.963  -1.248   0.337  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.313  -1.145   0.718  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.938   0.066   0.678  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.242   0.163   1.052  1.00  0.00           O  
HETATM   27  S   UNL     1      -6.229  -0.046  -0.087  1.00  0.00           S  
HETATM   28  O   UNL     1      -7.512   0.285   0.428  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.664   0.585  -1.229  1.00  0.00           O  
HETATM   30  N   UNL     1      -6.261  -1.668  -0.418  1.00  0.00           N  
HETATM   31  H   UNL     1      -2.798   3.367  -1.244  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.781   4.427  -0.205  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.292   3.689   0.431  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.424   2.035  -0.449  1.00  0.00           H  
HETATM   35  H   UNL     1       0.325   1.806  -1.427  1.00  0.00           H  
HETATM   36  H   UNL     1       2.775   1.828  -1.172  1.00  0.00           H  
HETATM   37  H   UNL     1       1.397  -0.222   1.447  1.00  0.00           H  
HETATM   38  H   UNL     1       2.935  -1.054   1.781  1.00  0.00           H  
HETATM   39  H   UNL     1       2.873   0.725   1.750  1.00  0.00           H  
HETATM   40  H   UNL     1       4.609  -0.051  -1.348  1.00  0.00           H  
HETATM   41  H   UNL     1       6.720   2.854  -0.574  1.00  0.00           H  
HETATM   42  H   UNL     1       5.245   2.234  -1.086  1.00  0.00           H  
HETATM   43  H   UNL     1       4.930  -2.331  -1.259  1.00  0.00           H  
HETATM   44  H   UNL     1       5.049  -2.271   0.523  1.00  0.00           H  
HETATM   45  H   UNL     1       2.933  -3.491  -0.813  1.00  0.00           H  
HETATM   46  H   UNL     1       2.763  -2.763   0.816  1.00  0.00           H  
HETATM   47  H   UNL     1       2.232  -1.444  -1.902  1.00  0.00           H  
HETATM   48  H   UNL     1       0.523  -3.518   0.047  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.817  -3.369   0.700  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.852  -2.023   1.044  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.705  -2.278   0.092  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.836  -2.009  -1.121  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   25                                       
CONECT    4    3    3    5   34                                       
CONECT    5    4    6    6   23                                       
CONECT    6    7    5    5   20                                       
CONECT    7    8    8    6   35                                       
CONECT    8    9    7    7   36                                       
CONECT    9   10    8   11   19                                       
CONECT   10    9   37   38   39                                       
CONECT   11   12    9   17   40                                       
CONECT   12   13   11                                                 
CONECT   13   14   14   16   12                                       
CONECT   13   15   15                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   41   42                                            
CONECT   17   11   18   43   44                                       
CONECT   18   17   19   45   46                                       
CONECT   19    9   20   18   47                                       
CONECT   20    6   19   21   21                                       
CONECT   21   20   20   22   48                                       
CONECT   22   23   23   21   49                                       
CONECT   23    5   24   22   22                                       
CONECT   24   25   25   23   50                                       
CONECT   25    3   26   24   24                                       
CONECT   26   25   27                                                 
CONECT   27   26   30   28   28                                       
CONECT   27   29   29                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   51   52                                            
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
