COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.176   0.467   1.666  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.251   0.680   2.504  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.755  -0.017   0.769  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.689  -0.223  -0.083  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.240  -0.216  -0.540  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.538   0.438   2.057  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.388   0.013   0.364  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.989  -0.030  -0.233  1.00  0.00           N  
HETATM    9  S   UNL     1      -2.346  -0.791  -2.201  1.00  0.00           S  
HETATM   10  C   UNL     1      -0.590  -0.716  -2.334  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.101  -0.287  -1.166  1.00  0.00           C  
HETATM   12  C   UNL     1       1.377  -0.107  -0.935  1.00  0.00           C  
HETATM   13  O   UNL     1       1.820  -1.031   0.061  1.00  0.00           O  
HETATM   14  C   UNL     1       3.220  -0.962   0.339  1.00  0.00           C  
HETATM   15  C   UNL     1       3.583  -2.010   1.394  1.00  0.00           C  
HETATM   16  O   UNL     1       3.367  -3.318   0.860  1.00  0.00           O  
HETATM   17  C   UNL     1       3.566   0.433   0.866  1.00  0.00           C  
HETATM   18  O   UNL     1       4.975   0.522   1.092  1.00  0.00           O  
HETATM   19  C   UNL     1       3.145   1.480  -0.170  1.00  0.00           C  
HETATM   20  O   UNL     1       3.398   2.789   0.344  1.00  0.00           O  
HETATM   21  C   UNL     1       1.650   1.323  -0.460  1.00  0.00           C  
HETATM   22  O   UNL     1       1.261   2.247  -1.478  1.00  0.00           O  
HETATM   23  H   UNL     1      -2.172   0.656   2.016  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.088   1.035   3.510  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.763  -0.204   0.426  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.860  -0.578  -1.088  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.377   0.605   2.717  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.010  -0.974  -3.207  1.00  0.00           H  
HETATM   29  H   UNL     1       1.915  -0.289  -1.865  1.00  0.00           H  
HETATM   30  H   UNL     1       3.782  -1.156  -0.574  1.00  0.00           H  
HETATM   31  H   UNL     1       4.631  -1.898   1.671  1.00  0.00           H  
HETATM   32  H   UNL     1       2.957  -1.870   2.275  1.00  0.00           H  
HETATM   33  H   UNL     1       3.577  -4.033   1.475  1.00  0.00           H  
HETATM   34  H   UNL     1       3.036   0.612   1.801  1.00  0.00           H  
HETATM   35  H   UNL     1       5.266   1.382   1.427  1.00  0.00           H  
HETATM   36  H   UNL     1       3.713   1.332  -1.089  1.00  0.00           H  
HETATM   37  H   UNL     1       3.154   3.503  -0.261  1.00  0.00           H  
HETATM   38  H   UNL     1       1.080   1.520   0.448  1.00  0.00           H  
HETATM   39  H   UNL     1       1.410   3.174  -1.246  1.00  0.00           H  
CONECT    1    7    2    2   23                                       
CONECT    2    1    1    6   24                                       
CONECT    3    4    6    6   25                                       
CONECT    4    7    7    3   26                                       
CONECT    5    9    8    8    7                                       
CONECT    6    3    3    2   27                                       
CONECT    7    5    4    4    1                                       
CONECT    8   11    5    5                                            
CONECT    9   10    5                                                 
CONECT   10   11   11    9   28                                       
CONECT   11   12   10   10    8                                       
CONECT   12   21   13   11   29                                       
CONECT   13   14   12                                                 
CONECT   14   17   15   13   30                                       
CONECT   15   16   14   31   32                                       
CONECT   16   15   33                                                 
CONECT   17   18   19   14   34                                       
CONECT   18   17   35                                                 
CONECT   19   20   17   21   36                                       
CONECT   20   19   37                                                 
CONECT   21   19   22   12   38                                       
CONECT   22   21   39                                                 
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28   10                                                      
CONECT   29   12                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
