COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.660   0.791  -0.003  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.026   0.521  -0.002  1.00  0.00           C  
HETATM    3  S   UNL     1      -4.420   1.599  -0.005  1.00  0.00           S  
HETATM    4  C   UNL     1      -5.507   0.216   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.885   0.297   0.000  1.00  0.00           N  
HETATM    6  N   UNL     1      -4.834  -0.883   0.003  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.487  -0.798   0.002  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.539  -1.842   0.006  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.196  -1.563   0.006  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.747  -0.246  -0.005  1.00  0.00           C  
HETATM   11  O   UNL     1       0.586   0.020  -0.006  1.00  0.00           O  
HETATM   12  C   UNL     1       1.472  -1.102   0.006  1.00  0.00           C  
HETATM   13  C   UNL     1       2.898  -0.616   0.004  1.00  0.00           C  
HETATM   14  C   UNL     1       3.548  -0.383   1.203  1.00  0.00           C  
HETATM   15  C   UNL     1       4.854   0.062   1.208  1.00  0.00           C  
HETATM   16  C   UNL     1       5.520   0.276   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       6.876   0.737  -0.002  1.00  0.00           C  
HETATM   18  N   UNL     1       7.951   1.103  -0.004  1.00  0.00           N  
HETATM   19  C   UNL     1       4.858   0.038  -1.207  1.00  0.00           C  
HETATM   20  C   UNL     1       3.554  -0.411  -1.197  1.00  0.00           C  
HETATM   21  H   UNL     1      -1.313   1.814  -0.007  1.00  0.00           H  
HETATM   22  H   UNL     1      -7.320   1.164  -0.002  1.00  0.00           H  
HETATM   23  H   UNL     1      -7.418  -0.513   0.003  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.872  -2.869   0.010  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.480  -2.372   0.010  1.00  0.00           H  
HETATM   26  H   UNL     1       1.292  -1.697   0.901  1.00  0.00           H  
HETATM   27  H   UNL     1       1.295  -1.714  -0.879  1.00  0.00           H  
HETATM   28  H   UNL     1       3.032  -0.549   2.137  1.00  0.00           H  
HETATM   29  H   UNL     1       5.360   0.244   2.145  1.00  0.00           H  
HETATM   30  H   UNL     1       5.367   0.202  -2.145  1.00  0.00           H  
HETATM   31  H   UNL     1       3.041  -0.595  -2.129  1.00  0.00           H  
CONECT    1   10   10    2   21                                       
CONECT    2    7    7    1    3                                       
CONECT    3    2    4                                                 
CONECT    4    6    6    3    5                                       
CONECT    5    4   22   23                                            
CONECT    6    7    4    4                                            
CONECT    7    8    6    2    2                                       
CONECT    8    9    9    7   24                                       
CONECT    9    8    8   10   25                                       
CONECT   10    9   11    1    1                                       
CONECT   11   12   10                                                 
CONECT   12   13   11   26   27                                       
CONECT   13   20   20   14   12                                       
CONECT   14   15   15   13   28                                       
CONECT   15   16   14   14   29                                       
CONECT   16   17   19   19   15                                       
CONECT   17   18   18   18   16                                       
CONECT   18   17   17   17                                            
CONECT   19   16   16   20   30                                       
CONECT   20   19   13   13   31                                       
CONECT   21    1                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   14                                                      
CONECT   29   15                                                      
CONECT   30   19                                                      
CONECT   31   20                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
