COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.622   3.869  -0.005  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.647   3.176  -1.201  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.694   1.794  -1.199  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.716   1.106  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.691   1.798   1.195  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.638   3.180   1.193  1.00  0.00           C  
HETATM    7  S   UNL     1      -4.777  -0.655   0.003  1.00  0.00           S  
HETATM    8  O   UNL     1      -5.333  -1.035   1.254  1.00  0.00           O  
HETATM    9  O   UNL     1      -5.337  -1.040  -1.245  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.113  -1.235   0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.461  -1.459  -1.196  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.155  -1.913  -1.198  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.502  -2.144  -0.001  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.155  -1.919   1.197  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.459  -1.460   1.198  1.00  0.00           C  
HETATM   16  C   UNL     1       0.920  -2.640  -0.002  1.00  0.00           C  
HETATM   17  N   UNL     1       1.837  -1.497   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.169  -1.701  -0.001  1.00  0.00           C  
HETATM   19  O   UNL     1       3.610  -2.834  -0.003  1.00  0.00           O  
HETATM   20  C   UNL     1       4.091  -0.550   0.001  1.00  0.00           C  
HETATM   21  C   UNL     1       5.464  -0.762  -0.005  1.00  0.00           C  
HETATM   22  C   UNL     1       6.304   0.366  -0.003  1.00  0.00           C  
HETATM   23  C   UNL     1       7.675   0.562  -0.008  1.00  0.00           C  
HETATM   24  N   UNL     1       7.898   1.881  -0.003  1.00  0.00           N  
HETATM   25  N   UNL     1       6.682   2.572   0.005  1.00  0.00           N  
HETATM   26  C   UNL     1       5.689   1.704   0.005  1.00  0.00           C  
HETATM   27  N   UNL     1       4.350   1.814   0.012  1.00  0.00           N  
HETATM   28  C   UNL     1       3.578   0.761   0.004  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.585   4.948  -0.007  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.630   3.714  -2.138  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.714   1.253  -2.133  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.709   1.260   2.132  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.618   3.721   2.127  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.971  -1.279  -2.131  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.645  -2.089  -2.133  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.645  -2.099   2.132  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.967  -1.281   2.134  1.00  0.00           H  
HETATM   38  H   UNL     1       1.094  -3.247   0.886  1.00  0.00           H  
HETATM   39  H   UNL     1       1.094  -3.243  -0.893  1.00  0.00           H  
HETATM   40  H   UNL     1       1.484  -0.593   0.002  1.00  0.00           H  
HETATM   41  H   UNL     1       5.873  -1.762  -0.011  1.00  0.00           H  
HETATM   42  H   UNL     1       8.430  -0.211  -0.014  1.00  0.00           H  
HETATM   43  H   UNL     1       8.774   2.297  -0.004  1.00  0.00           H  
HETATM   44  H   UNL     1       2.507   0.901   0.005  1.00  0.00           H  
CONECT    1    6    6    2   29                                       
CONECT    2    1    3    3   30                                       
CONECT    3    2    2    4   31                                       
CONECT    4    5    5    3    7                                       
CONECT    5    6    4    4   32                                       
CONECT    6    1    1    5   33                                       
CONECT    7    4    9    9    8                                       
CONECT    7    8   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   11   11   15                                       
CONECT   11   10   10   12   34                                       
CONECT   12   11   13   13   35                                       
CONECT   13   12   12   14   16                                       
CONECT   14   15   15   13   36                                       
CONECT   15   10   14   14   37                                       
CONECT   16   13   17   38   39                                       
CONECT   17   16   18   40                                            
CONECT   18   19   19   17   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   28   21   21                                       
CONECT   21   20   20   22   41                                       
CONECT   22   21   26   23   23                                       
CONECT   23   22   22   24   42                                       
CONECT   24   25   23   43                                            
CONECT   25   26   26   24                                            
CONECT   26   27   22   25   25                                       
CONECT   27   28   28   26                                            
CONECT   28   20   27   27   44                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   28                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
