COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.285   1.273   0.922  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.489  -0.495   0.962  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.533  -1.036   0.233  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.799  -0.412  -0.916  1.00  0.00           C  
HETATM    5  C   UNL     1       0.920   0.655   0.567  1.00  0.00           C  
HETATM    6  C   UNL     1       2.052   1.424   0.337  1.00  0.00           C  
HETATM    7  C   UNL     1       3.319  -0.572  -0.138  1.00  0.00           C  
HETATM    8  C   UNL     1       0.982  -0.726   0.453  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.467  -0.207  -0.232  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.457   0.746   0.519  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.756   1.339   1.001  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.910   0.571   0.408  1.00  0.00           C  
HETATM   13  S   UNL     1      -4.691   0.938  -1.124  1.00  0.00           S  
HETATM   14  C   UNL     1       3.253   0.812  -0.016  1.00  0.00           C  
HETATM   15  B   UNL     1       4.529   1.686  -0.289  1.00  0.00           B  
HETATM   16  O   UNL     1       4.461   3.099  -0.166  1.00  0.00           O  
HETATM   17  O   UNL     1       5.750   1.063  -0.660  1.00  0.00           O  
HETATM   18  C   UNL     1       2.184  -1.345   0.105  1.00  0.00           C  
HETATM   19  C   UNL     1       2.250  -2.816  -0.022  1.00  0.00           C  
HETATM   20  O   UNL     1       1.260  -3.488   0.190  1.00  0.00           O  
HETATM   21  O   UNL     1       3.406  -3.411  -0.373  1.00  0.00           O  
HETATM   22  H   UNL     1      -0.276   2.080   1.461  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.170  -0.903   1.910  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.091  -1.898   0.568  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.576  -0.694  -1.612  1.00  0.00           H  
HETATM   26  H   UNL     1       2.001   2.499   0.430  1.00  0.00           H  
HETATM   27  H   UNL     1       4.247  -1.047  -0.420  1.00  0.00           H  
HETATM   28  H   UNL     1       0.100  -1.322   0.633  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.801   1.281   2.088  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.816   2.382   0.690  1.00  0.00           H  
HETATM   31  H   UNL     1       5.296   3.550  -0.354  1.00  0.00           H  
HETATM   32  H   UNL     1       3.400  -4.375  -0.444  1.00  0.00           H  
HETATM   33  H   UNL     1       6.478   1.682  -0.808  1.00  0.00           H  
CONECT    1    5   10   22                                            
CONECT    2   12   12    3   23                                       
CONECT    3    2    4    4   24                                       
CONECT    4   13    3    3   25                                       
CONECT    5    8    8    6    1                                       
CONECT    6   14   14    5   26                                       
CONECT    7   18   18   14   27                                       
CONECT    8   18    5    5   28                                       
CONECT    9   10   10                                                 
CONECT   10    1    9    9   11                                       
CONECT   11   10   12   29   30                                       
CONECT   12   11   13    2    2                                       
CONECT   13   12    4                                                 
CONECT   14    7   15    6    6                                       
CONECT   15   16   14   17                                            
CONECT   16   15   31                                                 
CONECT   17   15   33                                                 
CONECT   18   19    7    7    8                                       
CONECT   19   20   20   21   18                                       
CONECT   20   19   19                                                 
CONECT   21   19   32                                                 
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   16                                                      
CONECT   32   21                                                      
CONECT   33   17                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
