COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.151   0.571  -0.019  1.00  0.00           N  
HETATM    2  N   UNL     1      -1.924  -0.462  -0.022  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.280  -0.300  -0.011  1.00  0.00           C  
HETATM    4  C   UNL     1       0.206   0.409  -0.030  1.00  0.00           C  
HETATM    5  O   UNL     1      -7.380   0.190   0.020  1.00  0.00           O  
HETATM    6  C   UNL     1       2.956   0.080  -0.050  1.00  0.00           C  
HETATM    7  O   UNL     1       5.162  -0.193   1.387  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.032   0.029   0.010  1.00  0.00           C  
HETATM    9  O   UNL     1       4.952  -1.413  -0.618  1.00  0.00           O  
HETATM   10  O   UNL     1       5.249   1.068  -0.603  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.120  -1.418  -0.014  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.833   0.985   0.008  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.487  -1.250  -0.003  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.201   1.143   0.018  1.00  0.00           C  
HETATM   15  C   UNL     1       1.046   1.525  -0.027  1.00  0.00           C  
HETATM   16  C   UNL     1       0.760  -0.874  -0.037  1.00  0.00           C  
HETATM   17  C   UNL     1       2.415   1.354  -0.038  1.00  0.00           C  
HETATM   18  C   UNL     1       2.130  -1.030  -0.047  1.00  0.00           C  
HETATM   19  S   UNL     1       4.706  -0.129  -0.063  1.00  0.00           S  
HETATM   20  H   UNL     1      -7.764   0.230   0.907  1.00  0.00           H  
HETATM   21  H   UNL     1       6.117  -0.307   1.494  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.698  -2.412  -0.024  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.188   1.851   0.014  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.136  -2.113  -0.009  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.629   2.134   0.028  1.00  0.00           H  
HETATM   26  H   UNL     1       0.626   2.520  -0.018  1.00  0.00           H  
HETATM   27  H   UNL     1       0.116  -1.742  -0.035  1.00  0.00           H  
HETATM   28  H   UNL     1       3.066   2.216  -0.040  1.00  0.00           H  
HETATM   29  H   UNL     1       2.559  -2.021  -0.058  1.00  0.00           H  
CONECT    1    2    2    4                                            
CONECT    2    1    1    3                                            
CONECT    3    2   11   11   12                                       
CONECT    4    1   15   15   16                                       
CONECT    5    8   20                                                 
CONECT    6   17   17   18   19                                       
CONECT    7   19   21                                                 
CONECT    8    5   13   13   14                                       
CONECT    9   19   19                                                 
CONECT   10   19   19                                                 
CONECT   11    3    3   13   22                                       
CONECT   12    3   14   14   23                                       
CONECT   13    8    8   11   24                                       
CONECT   14    8   12   12   25                                       
CONECT   15    4    4   17   26                                       
CONECT   16    4   18   18   27                                       
CONECT   17    6    6   15   28                                       
CONECT   18    6   16   16   29                                       
CONECT   19    6    7    9    9                                       
CONECT   19   10   10                                                 
CONECT   20    5                                                      
CONECT   21    7                                                      
CONECT   22   11                                                      
CONECT   23   12                                                      
CONECT   24   13                                                      
CONECT   25   14                                                      
CONECT   26   15                                                      
CONECT   27   16                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
