COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.965  -0.476  -0.707  1.00  0.00           C  
HETATM    2  C   UNL     1       5.044  -0.027   0.032  1.00  0.00           C  
HETATM    3  C   UNL     1       4.910   1.073   0.859  1.00  0.00           C  
HETATM    4  N   UNL     1       0.237  -0.105   0.147  1.00  0.00           N  
HETATM    5  C   UNL     1       3.697   1.727   0.949  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.093   1.172   0.079  1.00  0.00           C  
HETATM    7  N   UNL     1       1.382   1.939   0.296  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.406   1.086  -0.151  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.142   1.241  -1.322  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.285   0.503  -1.535  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.714  -0.408  -0.575  1.00  0.00           C  
HETATM   12  N   UNL     1       7.447  -0.144  -1.304  1.00  0.00           N  
HETATM   13  C   UNL     1      -7.749  -1.959   0.680  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.677  -1.582   1.396  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.972  -0.567   0.609  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.961   1.861   0.169  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.863  -2.172  -0.001  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.896  -0.794   0.057  1.00  0.00           C  
HETATM   19  O   UNL     1       7.293  -0.568   1.122  1.00  0.00           O  
HETATM   20  C   UNL     1       0.205   1.223   0.203  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.811   0.183   0.812  1.00  0.00           C  
HETATM   22  C   UNL     1       2.611   1.279   0.207  1.00  0.00           C  
HETATM   23  C   UNL     1       2.751   0.177  -0.626  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.788  -1.269  -0.500  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.062  -0.154   0.023  1.00  0.00           N  
HETATM   26  O   UNL     1       6.307  -2.184  -0.511  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.279   1.822   0.044  1.00  0.00           O  
HETATM   28  S   UNL     1       6.593  -0.860  -0.080  1.00  0.00           S  
HETATM   29  H   UNL     1       4.073  -1.336  -1.352  1.00  0.00           H  
HETATM   30  H   UNL     1       5.755   1.420   1.435  1.00  0.00           H  
HETATM   31  H   UNL     1       3.592   2.584   1.598  1.00  0.00           H  
HETATM   32  H   UNL     1       1.356   2.901   0.423  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.814   1.946  -2.071  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.849   0.632  -2.447  1.00  0.00           H  
HETATM   35  H   UNL     1       7.059   0.594  -1.800  1.00  0.00           H  
HETATM   36  H   UNL     1       8.336  -0.462  -1.526  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.473  -2.698   0.991  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.390  -1.956   2.367  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.013  -2.639   0.024  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.691  -2.674  -0.067  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.237   0.060   1.718  1.00  0.00           H  
HETATM   42  H   UNL     1       1.908  -0.174  -1.204  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.470  -1.370  -1.183  1.00  0.00           H  
CONECT    1   23   23    2   29                                       
CONECT    2    3    3    1   28                                       
CONECT    3    5    2    2   30                                       
CONECT    4   18   18   20                                            
CONECT    5   22   22    3   31                                       
CONECT    6   25   25   16   27                                       
CONECT    7   20   22   32                                            
CONECT    8    9   27   21   21                                       
CONECT    9   10   10    8   33                                       
CONECT   10    9    9   11   34                                       
CONECT   11   10   24   15   15                                       
CONECT   12   28   35   36                                            
CONECT   13   24   14   14   37                                       
CONECT   14   15   13   13   38                                       
CONECT   15   11   11   21   14                                       
CONECT   16   20   20    6                                            
CONECT   17   18   39   40                                            
CONECT   18   17    4    4   25                                       
CONECT   19   28   28                                                 
CONECT   20    4    7   16   16                                       
CONECT   21    8    8   15   41                                       
CONECT   22    7    5    5   23                                       
CONECT   23   22    1    1   42                                       
CONECT   24   11   13   43                                            
CONECT   25   18    6    6                                            
CONECT   26   28   28                                                 
CONECT   27    6    8                                                 
CONECT   28    2   12   26   26                                       
CONECT   28   19   19                                                 
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
