COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.234   1.444   0.029  1.00  0.00           O  
HETATM    2  C   UNL     1       5.032   1.600   0.013  1.00  0.00           C  
HETATM    3  C   UNL     1       4.138   0.431   0.014  1.00  0.00           C  
HETATM    4  C   UNL     1       2.753   0.608  -0.005  1.00  0.00           C  
HETATM    5  C   UNL     1       4.673  -0.862   0.027  1.00  0.00           C  
HETATM    6  C   UNL     1       3.834  -1.957   0.028  1.00  0.00           C  
HETATM    7  C   UNL     1       2.463  -1.785   0.015  1.00  0.00           C  
HETATM    8  C   UNL     1       1.916  -0.502  -0.004  1.00  0.00           C  
HETATM    9  C   UNL     1       0.443  -0.323  -0.025  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.397  -1.434  -0.024  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.766  -1.261  -0.042  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.304   0.013  -0.062  1.00  0.00           C  
HETATM   13  S   UNL     1      -4.053   0.226  -0.086  1.00  0.00           S  
HETATM   14  O   UNL     1      -4.293   1.509  -0.647  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.596  -0.972  -0.626  1.00  0.00           O  
HETATM   16  N   UNL     1      -4.560   0.301   1.488  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.475   1.120  -0.063  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.105   0.958  -0.039  1.00  0.00           C  
HETATM   19  H   UNL     1       4.617   2.597   0.002  1.00  0.00           H  
HETATM   20  H   UNL     1       2.334   1.603  -0.020  1.00  0.00           H  
HETATM   21  H   UNL     1       5.744  -1.003   0.038  1.00  0.00           H  
HETATM   22  H   UNL     1       4.251  -2.953   0.038  1.00  0.00           H  
HETATM   23  H   UNL     1       1.813  -2.647   0.015  1.00  0.00           H  
HETATM   24  H   UNL     1       0.023  -2.429  -0.009  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.418  -2.122  -0.042  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.344   0.822   1.721  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.072  -0.175   2.178  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.901   2.112  -0.079  1.00  0.00           H  
HETATM   29  H   UNL     1       0.542   1.823  -0.035  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   19                                       
CONECT    3    5    2    4    4                                       
CONECT    4    3    3    8   20                                       
CONECT    5    6    6    3   21                                       
CONECT    6    5    5    7   22                                       
CONECT    7    6    8    8   23                                       
CONECT    8    7    7    4    9                                       
CONECT    9    8   18   18   10                                       
CONECT   10    9   11   11   24                                       
CONECT   11   10   10   12   25                                       
CONECT   12   17   17   11   13                                       
CONECT   13   12   16   14   14                                       
CONECT   13   15   15                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   26   27                                            
CONECT   17   18   12   12   28                                       
CONECT   18    9    9   17   29                                       
CONECT   19    2                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   16                                                      
CONECT   27   16                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
