COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.140  -2.000  -1.343  1.00  0.00           O  
HETATM    2  S   UNL     1       0.579  -1.938  -0.039  1.00  0.00           S  
HETATM    3  O   UNL     1       0.183  -3.091   0.692  1.00  0.00           O  
HETATM    4  N   UNL     1       1.681  -1.141   0.906  1.00  0.00           N  
HETATM    5  C   UNL     1       2.243   0.071   0.463  1.00  0.00           C  
HETATM    6  C   UNL     1       2.134   1.275   1.080  1.00  0.00           C  
HETATM    7  C   UNL     1       1.390   1.556   2.361  1.00  0.00           C  
HETATM    8  N   UNL     1       2.817   2.182   0.332  1.00  0.00           N  
HETATM    9  C   UNL     1       2.963   3.610   0.629  1.00  0.00           C  
HETATM   10  N   UNL     1       3.357   1.510  -0.771  1.00  0.00           N  
HETATM   11  C   UNL     1       3.019   0.248  -0.691  1.00  0.00           C  
HETATM   12  C   UNL     1       3.397  -0.830  -1.674  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.846  -0.910  -0.159  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.692  -0.774   0.927  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.394  -1.505   2.210  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.810   0.032   0.836  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.731   0.180   2.019  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.085   0.706  -0.346  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.184   1.500  -0.438  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.403   2.162  -1.685  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.234   0.567  -1.433  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.114  -0.235  -1.335  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.186  -0.380  -2.514  1.00  0.00           C  
HETATM   24  H   UNL     1       1.939  -1.510   1.766  1.00  0.00           H  
HETATM   25  H   UNL     1       2.064   1.425   3.207  1.00  0.00           H  
HETATM   26  H   UNL     1       1.018   2.580   2.348  1.00  0.00           H  
HETATM   27  H   UNL     1       0.552   0.865   2.453  1.00  0.00           H  
HETATM   28  H   UNL     1       3.851   3.765   1.240  1.00  0.00           H  
HETATM   29  H   UNL     1       3.061   4.166  -0.303  1.00  0.00           H  
HETATM   30  H   UNL     1       2.084   3.960   1.170  1.00  0.00           H  
HETATM   31  H   UNL     1       2.688  -0.832  -2.502  1.00  0.00           H  
HETATM   32  H   UNL     1       4.400  -0.640  -2.054  1.00  0.00           H  
HETATM   33  H   UNL     1       3.375  -1.799  -1.176  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.674  -0.934   2.796  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.314  -1.625   2.782  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.979  -2.487   1.981  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.402   1.018   2.634  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.747   0.364   1.669  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.712  -0.734   2.612  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.446   1.090  -2.355  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.555   2.809  -1.906  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.510   1.420  -2.476  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.311   2.761  -1.623  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.418  -1.302  -3.048  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.315   0.470  -3.184  1.00  0.00           H  
HETATM   46  H   UNL     1       0.845  -0.414  -2.163  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   13                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5   24                                            
CONECT    5    4    6    6   11                                       
CONECT    6    5    5    7    8                                       
CONECT    7    6   25   26   27                                       
CONECT    8    6    9   10                                            
CONECT    9    8   28   29   30                                       
CONECT   10    8   11   11                                            
CONECT   11    5   10   10   12                                       
CONECT   12   11   31   32   33                                       
CONECT   13    2   14   22   22                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14   34   35   36                                       
CONECT   16   14   14   17   18                                       
CONECT   17   16   37   38   39                                       
CONECT   18   16   19   21   21                                       
CONECT   19   18   20                                                 
CONECT   20   19   41   42   43                                       
CONECT   21   18   18   22   40                                       
CONECT   22   13   13   21   23                                       
CONECT   23   22   44   45   46                                       
CONECT   24    4                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   21                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
