COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.492  -0.455  -0.345  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.922  -0.863   0.017  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.035   1.387  -0.579  1.00  0.00           C  
HETATM    4  B   UNL     1       4.192  -0.980  -0.741  1.00  0.00           B  
HETATM    5  C   UNL     1      -2.980   2.223  -0.881  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.689   1.726  -0.921  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.447   0.391  -0.654  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.037  -0.141  -0.700  1.00  0.00           C  
HETATM    9  C   UNL     1       3.204   0.076  -0.129  1.00  0.00           C  
HETATM   10  C   UNL     1       3.997   1.106   0.679  1.00  0.00           C  
HETATM   11  C   UNL     1       4.996   1.814  -0.238  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.797   0.038  -0.308  1.00  0.00           C  
HETATM   13  N   UNL     1       2.247  -0.601   0.749  1.00  0.00           N  
HETATM   14  O   UNL     1       3.690  -2.043  -1.537  1.00  0.00           O  
HETATM   15  O   UNL     1       5.587  -0.872  -0.499  1.00  0.00           O  
HETATM   16  O   UNL     1       0.931   1.379   1.267  1.00  0.00           O  
HETATM   17  O   UNL     1       0.100  -0.874   1.862  1.00  0.00           O  
HETATM   18  O   UNL     1      -6.181  -0.383   0.052  1.00  0.00           O  
HETATM   19  O   UNL     1      -4.712  -2.036   0.252  1.00  0.00           O  
HETATM   20  S   UNL     1       0.721   0.012   0.940  1.00  0.00           S  
HETATM   21  H   UNL     1      -2.301  -1.497  -0.136  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.043   1.776  -0.552  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.163   3.267  -1.091  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.867   2.385  -1.158  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.055  -1.190  -0.996  1.00  0.00           H  
HETATM   26  H   UNL     1       0.543   0.431  -1.424  1.00  0.00           H  
HETATM   27  H   UNL     1       2.667   0.580  -0.932  1.00  0.00           H  
HETATM   28  H   UNL     1       3.311   1.840   1.104  1.00  0.00           H  
HETATM   29  H   UNL     1       4.534   0.603   1.482  1.00  0.00           H  
HETATM   30  H   UNL     1       5.681   1.081  -0.663  1.00  0.00           H  
HETATM   31  H   UNL     1       4.459   2.318  -1.041  1.00  0.00           H  
HETATM   32  H   UNL     1       5.561   2.548   0.337  1.00  0.00           H  
HETATM   33  H   UNL     1       2.508  -1.410   1.218  1.00  0.00           H  
HETATM   34  H   UNL     1       2.729  -2.033  -1.646  1.00  0.00           H  
HETATM   35  H   UNL     1       6.113  -1.567  -0.917  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.883  -1.011   0.269  1.00  0.00           H  
CONECT    1   12   12    7   21                                       
CONECT    2   12   19   19   18                                       
CONECT    3    5    5   12   22                                       
CONECT    4   14    9   15                                            
CONECT    5    3    3    6   23                                       
CONECT    6    5    7    7   24                                       
CONECT    7    6    6    1    8                                       
CONECT    8   20    7   25   26                                       
CONECT    9   13    4   10   27                                       
CONECT   10    9   11   28   29                                       
CONECT   11   10   30   31   32                                       
CONECT   12    3    2    1    1                                       
CONECT   13   20    9   33                                            
CONECT   14    4   34                                                 
CONECT   15    4   35                                                 
CONECT   16   20   20                                                 
CONECT   17   20   20                                                 
CONECT   18    2   36                                                 
CONECT   19    2    2                                                 
CONECT   20   17   17   16   16                                       
CONECT   20    8   13                                                 
CONECT   21    1                                                      
CONECT   22    3                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   18                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
