COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.423   3.199  -0.098  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.776   2.925  -0.149  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.218   1.615  -0.116  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.305   0.580  -0.032  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.951   0.855   0.018  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.510   2.164  -0.014  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.956  -0.273   0.110  1.00  0.00           C  
HETATM    8  O   UNL     1       0.370   0.252   0.022  1.00  0.00           O  
HETATM    9  C   UNL     1       1.387  -0.645  -0.023  1.00  0.00           C  
HETATM   10  C   UNL     1       1.121  -1.998  -0.093  1.00  0.00           C  
HETATM   11  C   UNL     1       2.157  -2.923  -0.145  1.00  0.00           C  
HETATM   12  C   UNL     1       3.461  -2.522  -0.128  1.00  0.00           C  
HETATM   13  C   UNL     1       3.770  -1.157  -0.057  1.00  0.00           C  
HETATM   14  C   UNL     1       2.721  -0.208  -0.004  1.00  0.00           C  
HETATM   15  C   UNL     1       3.059   1.164   0.062  1.00  0.00           C  
HETATM   16  N   UNL     1       4.342   1.497   0.077  1.00  0.00           N  
HETATM   17  C   UNL     1       5.297   0.573   0.031  1.00  0.00           C  
HETATM   18  N   UNL     1       5.038  -0.719  -0.037  1.00  0.00           N  
HETATM   19  N   UNL     1       6.618   0.984   0.049  1.00  0.00           N  
HETATM   20  N   UNL     1       2.078   2.132   0.110  1.00  0.00           N  
HETATM   21  S   UNL     1      -3.868  -1.089   0.011  1.00  0.00           S  
HETATM   22  O   UNL     1      -4.080  -1.476  -1.340  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.995  -1.784   0.891  1.00  0.00           O  
HETATM   24  H   UNL     1      -2.078   4.222  -0.129  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.489   3.733  -0.215  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.275   1.400  -0.155  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.452   2.378   0.021  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.080  -0.791   1.061  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.125  -0.973  -0.709  1.00  0.00           H  
HETATM   30  H   UNL     1       0.097  -2.342  -0.108  1.00  0.00           H  
HETATM   31  H   UNL     1       1.926  -3.976  -0.199  1.00  0.00           H  
HETATM   32  H   UNL     1       4.253  -3.254  -0.168  1.00  0.00           H  
HETATM   33  H   UNL     1       6.831   1.929   0.094  1.00  0.00           H  
HETATM   34  H   UNL     1       7.331   0.326   0.016  1.00  0.00           H  
HETATM   35  H   UNL     1       1.198   1.914   0.454  1.00  0.00           H  
HETATM   36  H   UNL     1       2.268   3.031  -0.201  1.00  0.00           H  
HETATM   37  O   UNL     1      -5.236  -1.086   0.677  1.00  0.00           O  
HETATM   38  H   UNL     1      -5.639  -1.962   0.752  1.00  0.00           H  
CONECT    1    2    2    6   24                                       
CONECT    2    1    1    3   25                                       
CONECT    3    2    4    4   26                                       
CONECT    4    3    3   21    5                                       
CONECT    5    4    6    6    7                                       
CONECT    6    1    5    5   27                                       
CONECT    7    5    8   28   29                                       
CONECT    8    9    7                                                 
CONECT    9   10   10   14    8                                       
CONECT   10   11    9    9   30                                       
CONECT   11   12   12   10   31                                       
CONECT   12   11   11   13   32                                       
CONECT   13   12   18   18   14                                       
CONECT   14   13    9   15   15                                       
CONECT   15   14   14   16   20                                       
CONECT   16   17   17   15                                            
CONECT   17   18   19   16   16                                       
CONECT   18   13   13   17                                            
CONECT   19   17   33   34                                            
CONECT   20   15   35   36                                            
CONECT   21    4   22   22   23                                       
CONECT   21   23   37                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   21   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
